INFO : DAQ-refine started
INFO : STEP-0 DAQ started
INFO: start DAQ-refine for chain C
chain_C existed
Origin: (0., 0., 0.)
Previous voxel size: 1.0
----------------------------------------------------------------------------------------------------
resizing finished!
----------------------------------------------------------------------------------------------------
Finished processing model input!
0 batch processing time 0.168480
1 batch processing time 0.191686
2 batch processing time 0.134686
3 batch processing time 0.200644
4 batch processing time 0.135792
5 batch processing time 0.209392
6 batch processing time 0.161960
7 batch processing time 0.201072
8 batch processing time 0.136309
9 batch processing time 0.203425
10 batch processing time 0.156773
11 batch processing time 0.218681
12 batch processing time 0.156780
13 batch processing time 0.143802
14 batch processing time 0.178624
15 batch processing time 0.139093
16 batch processing time 0.194741
17 batch processing time 0.138693
18 batch processing time 0.199032
19 batch processing time 0.133839
20 batch processing time 0.166046
21 batch processing time 0.156292
22 batch processing time 0.202515
23 batch processing time 0.128364
24 batch processing time 0.134980
25 batch processing time 0.192829
26 batch processing time 0.134399
27 batch processing time 0.194629
28 batch processing time 0.139159
29 batch processing time 0.217948
30 batch processing time 0.142709
31 batch processing time 0.215954
32 batch processing time 0.134316
33 batch processing time 0.143262
34 batch processing time 0.177561
35 batch processing time 0.134968
36 batch processing time 0.192008
37 batch processing time 0.137801
38 batch processing time 0.197651
39 batch processing time 0.138824
40 batch processing time 0.194478
41 batch processing time 0.139107
42 batch processing time 0.201823
43 batch processing time 0.133494
44 batch processing time 0.159307
45 batch processing time 0.167209
46 batch processing time 0.132994
47 batch processing time 0.189934
48 batch processing time 0.130799
49 batch processing time 0.167038
50 batch processing time 0.162123
51 batch processing time 0.217879
52 batch processing time 0.134715
53 batch processing time 0.202484
54 batch processing time 0.138511
55 batch processing time 0.157690
56 batch processing time 0.159758
57 batch processing time 0.132922
58 batch processing time 0.192178
59 batch processing time 0.134949
60 batch processing time 0.198368
61 batch processing time 0.133624
62 batch processing time 0.192470
63 batch processing time 0.131013
64 batch processing time 0.174030
65 batch processing time 0.142707
66 batch processing time 0.147222
67 batch processing time 0.166659
68 batch processing time 0.132888
69 batch processing time 0.189792
70 batch processing time 0.132182
71 batch processing time 0.190355
72 batch processing time 0.135931
73 batch processing time 0.196030
74 batch processing time 0.139507
75 batch processing time 0.192830
76 batch processing time 0.138158
77 batch processing time 0.190684
78 batch processing time 0.155514
79 batch processing time 0.135458
80 batch processing time 0.198055
81 batch processing time 0.135219
82 batch processing time 0.198894
83 batch processing time 0.136624
84 batch processing time 0.206467
85 batch processing time 0.127054
86 batch processing time 0.160209
87 batch processing time 0.167609
88 batch processing time 0.193568
89 batch processing time 0.177520
90 batch processing time 0.195855
91 batch processing time 0.130592
92 batch processing time 0.138694
93 batch processing time 0.199076
94 batch processing time 0.128833
95 batch processing time 0.170515
96 batch processing time 0.147241
97 batch processing time 0.129697
98 batch processing time 0.197697
99 batch processing time 0.139027
100 batch processing time 0.221944
101 batch processing time 0.131693
102 batch processing time 0.136448
103 batch processing time 0.192674
104 batch processing time 0.133488
105 batch processing time 0.199632
106 batch processing time 0.128312
107 batch processing time 0.143768
108 batch processing time 0.174050
109 batch processing time 0.141454
110 batch processing time 0.178950
111 batch processing time 0.132109
112 batch processing time 0.192359
113 batch processing time 0.134362
114 batch processing time 0.204693
115 batch processing time 0.171068
116 batch processing time 0.197231
117 batch processing time 0.129176
118 batch processing time 0.136122
119 batch processing time 0.175186
120 batch processing time 0.148264
121 batch processing time 0.127970
122 batch processing time 0.158599
123 batch processing time 0.159262
124 batch processing time 0.160373
125 batch processing time 0.159503
126 batch processing time 0.135512
127 batch processing time 0.195202
128 batch processing time 0.134279
129 batch processing time 0.200898
130 batch processing time 0.136392
131 batch processing time 0.165264
132 batch processing time 0.158633
133 batch processing time 0.138298
134 batch processing time 0.193830
135 batch processing time 0.134123
136 batch processing time 0.191975
137 batch processing time 0.133933
138 batch processing time 0.192872
139 batch processing time 0.133774
140 batch processing time 0.191654
141 batch processing time 0.133218
142 batch processing time 0.192132
143 batch processing time 0.140671
144 batch processing time 0.182967
145 batch processing time 0.142452
146 batch processing time 0.178713
147 batch processing time 0.171505
148 batch processing time 0.152654
149 batch processing time 0.135181
150 batch processing time 0.194966
151 batch processing time 0.133567
152 batch processing time 0.192635
153 batch processing time 0.134994
154 batch processing time 0.192653
155 batch processing time 0.142180
156 batch processing time 0.221980
157 batch processing time 0.141200
158 batch processing time 0.221992
159 batch processing time 0.131291
160 batch processing time 0.192691
161 batch processing time 0.129539
prediction.txt, please have a check!
exe_path
daq_raw_score.pdb
total different chains: {'C'}
-0.32
-2.05
-1.74
-0.25
0.21
1.51
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1.69
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1.91
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0.97
1.38
2.11
-0.82
1.19
1.58
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0.65
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1.07
1.22
1.16
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0.81
0.34
0.83
0.84
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0.57
1.75
1.74
0.98
0.78
1.13
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0.15
1.14
-0.8
0.89
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0.14
1.27
1.72
1.09
1.49
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1.85
0.88
2.56
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0.49
1.59
0.71
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0.42
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1.42
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0.87
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1.7
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1.11
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1.46
1.26
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2.81
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1.48
0.48
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0.47
0.83
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2.33
1.75
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1.98
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0.56
0.59
1.58
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1.86
1.62
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1.36
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0.64
0.93
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0.8
-0.28
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0.38
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1.49
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1.91
0.45
2.69
0.2
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2.1
0.53
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0.48
1.7
0.25
0.93
0.69
0.7
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2.75
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1.44
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1.47
1.33
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0.71
0.73
1.33
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3.05
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0.32
0.95
0.66
0.57
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1.02
1.07
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[['C', ' N ', 136.195, 190.818, 144.289], ['C', ' CA ', 137.517, 191.108, 144.829], ['C', ' C ', 137.436, 192.147, 145.941], ['C', ' O ', 138.428, 192.431, 146.612], ['C', ' CB ', 138.449, 191.584, 143.724]]
[['C', ' N ', 136.243, 192.711, 146.132], ['C', ' CA ', 136.016, 193.723, 147.154], ['C', ' C ', 135.442, 193.154, 148.444], ['C', ' O ', 135.382, 193.874, 149.446], ['C', ' CB ', 135.079, 194.817, 146.623], ['C', ' CG ', 135.668, 195.673, 145.508], ['C', ' CD ', 135.786, 194.899, 144.204], ['C', ' CE ', 136.377, 195.763, 143.101], ['C', ' NZ ', 136.502, 195.017, 141.819]]
[['C', ' N ', 135.02, 191.889, 148.446], ['C', ' CA ', 134.447, 191.277, 149.639], ['C', ' C ', 135.489, 190.939, 150.695], ['C', ' O ', 135.114, 190.467, 151.775], ['C', ' CB ', 133.672, 190.014, 149.256], ['C', ' CG ', 132.516, 190.201, 148.272], ['C', ' CD1', 131.841, 188.87, 147.978], ['C', ' CD2', 131.512, 191.21, 148.807]]
[['C', ' N ', 136.772, 191.163, 150.421], ['C', ' CA ', 137.849, 190.879, 151.371], ['C', ' C ', 138.744, 192.104, 151.519], ['C', ' O ', 139.947, 192.051, 151.249], ['C', ' CB ', 138.656, 189.66, 150.926], ['C', ' CG ', 137.913, 188.33, 150.768], ['C', ' CD1', 137.013, 188.339, 149.541], ['C', ' CD2', 138.895, 187.17, 150.704]]
[['C', ' N ', 138.185, 193.231, 151.949], ['C', ' CA ', 138.985, 194.449, 152.091], ['C', ' C ', 139.769, 194.437, 153.39], ['C', ' O ', 139.18, 194.442, 154.482], ['C', ' CB ', 137.928, 195.56, 152.088], ['C', ' CG ', 136.738, 194.913, 152.711], ['C', ' CD ', 136.768, 193.462, 152.284]]
[['C', ' N ', 141.1, 194.421, 153.316], ['C', ' CA ', 141.905, 194.448, 154.544], ['C', ' C ', 142.071, 195.856, 155.093], ['C', ' O ', 141.529, 196.816, 154.538], ['C', ' CB ', 143.245, 193.862, 154.087], ['C', ' CG ', 143.344, 194.283, 152.658], ['C', ' CD ', 141.934, 194.266, 152.111]]
[['C', ' N ', 142.82, 195.988, 156.186], ['C', ' CA ', 143.088, 197.292, 156.778], ['C', ' C ', 144.338, 197.184, 157.637], ['C', ' O ', 144.482, 196.228, 158.405], ['C', ' CB ', 141.898, 197.778, 157.613], ['C', ' CG ', 142.066, 199.18, 158.172], ['C', ' CD ', 140.838, 199.66, 158.919], ['C', ' OE1', 139.871, 198.879, 159.04], ['C', ' OE2', 140.839, 200.819, 159.385]]
[['C', ' N ', 145.234, 198.16, 157.506], ['C', ' CA ', 146.506, 198.145, 158.21], ['C', ' C ', 146.777, 199.522, 158.799], ['C', ' O ', 146.136, 200.514, 158.444], ['C', ' CB ', 147.655, 197.73, 157.283], ['C', ' CG ', 147.528, 196.328, 156.716], ['C', ' CD ', 148.588, 196.078, 155.658], ['C', ' NE ', 149.928, 196.381, 156.151], ['C', ' CZ ', 151.022, 196.366, 155.397], ['C', ' NH1', 150.937, 196.063, 154.109], ['C', ' NH2', 152.202, 196.656, 155.93]]
[['C', ' N ', 147.743, 199.571, 159.71], ['C', ' CA ', 148.195, 200.813, 160.315], ['C', ' C ', 149.548, 201.222, 159.743], ['C', ' O ', 150.186, 200.485, 158.987], ['C', ' CB ', 148.289, 200.676, 161.838], ['C', ' CG ', 146.962, 200.475, 162.547], ['C', ' SD ', 147.166, 200.537, 164.337], ['C', ' CE ', 145.497, 200.207, 164.893]]
[['C', ' N ', 149.978, 202.415, 160.118], ['C', ' CA ', 151.289, 202.938, 159.749], ['C', ' C ', 152.088, 203.405, 160.954], ['C', ' O ', 153.312, 203.252, 160.97], ['C', ' CB ', 151.129, 204.094, 158.749], ['C', ' CG ', 150.453, 203.695, 157.447], ['C', ' CD ', 150.266, 204.894, 156.532], ['C', ' CE ', 149.387, 205.95, 157.181], ['C', ' NZ ', 148.038, 205.417, 157.517], ['C', ' H ', 149.518, 202.958, 160.6], ['C', ' HA ', 151.797, 202.236, 159.313]]
[['C', ' N ', 151.428, 203.971, 161.963], ['C', ' CA ', 152.081, 204.396, 163.19], ['C', ' C ', 151.209, 203.996, 164.372], ['C', ' O ', 150.056, 203.587, 164.213], ['C', ' CB ', 152.342, 205.908, 163.196], ['C', ' CG ', 153.428, 206.338, 162.258], ['C', ' CD2', 153.798, 207.566, 161.826], ['C', ' ND1', 154.283, 205.444, 161.65], ['C', ' CE1', 155.133, 206.104, 160.883], ['C', ' NE2', 154.86, 207.393, 160.972], ['C', ' H ', 150.581, 204.119, 161.956], ['C', ' HA ', 152.932, 203.94, 163.277]]
[['C', ' N ', 151.775, 204.119, 165.569], ['C', ' CA ', 151.075, 203.711, 166.775], ['C', ' C ', 149.87, 204.615, 167.03], ['C', ' O ', 149.711, 205.682, 166.432], ['C', ' CB ', 152.019, 203.742, 167.975], ['C', ' OG ', 152.537, 205.045, 168.183], ['C', ' H ', 152.563, 204.435, 165.706], ['C', ' HA ', 150.755, 202.802, 166.665]]
[['C', ' N ', 149.011, 204.164, 167.941], ['C', ' CA ', 147.837, 204.915, 168.369], ['C', ' C ', 147.741, 204.811, 169.883], ['C', ' O ', 147.813, 203.714, 170.446], ['C', ' CB ', 146.548, 204.394, 167.7], ['C', ' CG1', 146.661, 204.483, 166.177], ['C', ' CG2', 145.34, 205.171, 168.197], ['C', ' CD1', 146.815, 205.895, 165.655], ['C', ' H ', 149.091, 203.404, 168.335], ['C', ' HA ', 147.948, 205.849, 168.135]]
[['C', ' N ', 147.576, 205.954, 170.543], ['C', ' CA ', 147.586, 206.028, 171.998], ['C', ' C ', 146.161, 205.917, 172.525], ['C', ' O ', 145.327, 206.789, 172.257], ['C', ' CB ', 148.229, 207.331, 172.47], ['C', ' CG ', 149.691, 207.481, 172.083], ['C', ' CD ', 150.273, 208.775, 172.627], ['C', ' CE ', 151.739, 208.921, 172.255], ['C', ' NZ ', 152.322, 210.184, 172.787], ['C', ' H ', 147.454, 206.714, 170.161], ['C', ' HA ', 148.101, 205.287, 172.353]]
[['C', ' N ', 145.887, 204.846, 173.271], ['C', ' CA ', 144.597, 204.717, 173.94], ['C', ' C ', 144.531, 205.62, 175.165], ['C', ' O ', 143.554, 206.352, 175.357], ['C', ' CB ', 144.346, 203.262, 174.343], ['C', ' CG ', 144.518, 202.165, 173.291], ['C', ' CD1', 145.975, 201.752, 173.184], ['C', ' CD2', 143.641, 200.967, 173.62], ['C', ' H ', 146.427, 204.192, 173.407], ['C', ' HA ', 143.894, 204.986, 173.328]]
[['C', ' N ', 145.564, 205.576, 176.001], ['C', ' CA ', 145.652, 206.397, 177.202], ['C', ' C ', 146.496, 207.621, 176.876], ['C', ' O ', 147.653, 207.494, 176.457], ['C', ' CB ', 146.252, 205.608, 178.375], ['C', ' CG1', 146.358, 206.491, 179.607], ['C', ' CG2', 145.413, 204.374, 178.667], ['C', ' H ', 146.244, 205.063, 175.89], ['C', ' HA ', 144.765, 206.693, 177.457]]
[['C', ' N ', 145.922, 208.806, 177.068], ['C', ' CA ', 146.639, 210.043, 176.803], ['C', ' C ', 147.772, 210.222, 177.813], ['C', ' O ', 147.97, 209.414, 178.725], ['C', ' CB ', 145.681, 211.231, 176.842], ['C', ' CG ', 144.794, 211.304, 175.616], ['C', ' OD1', 145.298, 211.047, 174.502], ['C', ' OD2', 143.594, 211.619, 175.765]]
[['C', ' N ', 148.531, 211.307, 177.64], ['C', ' CA ', 149.621, 211.596, 178.565], ['C', ' C ', 149.11, 211.782, 179.987], ['C', ' O ', 149.818, 211.461, 180.948], ['C', ' CB ', 150.383, 212.839, 178.106], ['C', ' CG ', 150.827, 212.749, 176.66], ['C', ' OD1', 150.976, 211.618, 176.151], ['C', ' OD2', 151.027, 213.809, 176.031]]
[['C', ' N ', 147.889, 212.295, 180.141], ['C', ' CA ', 147.272, 212.48, 181.446], ['C', ' C ', 146.373, 211.311, 181.836], ['C', ' O ', 145.452, 211.488, 182.642], ['C', ' CB ', 146.481, 213.79, 181.47], ['C', ' CG ', 146.051, 214.237, 182.859], ['C', ' CD ', 145.284, 215.544, 182.839], ['C', ' NE2', 144.9, 216.023, 184.016], ['C', ' OE1', 145.041, 216.118, 181.777]]
[['C', ' N ', 146.622, 210.124, 181.285], ['C', ' CA ', 145.838, 208.929, 181.592], ['C', ' C ', 144.363, 209.14, 181.24], ['C', ' O ', 143.475, 209.101, 182.094], ['C', ' CB ', 146.007, 208.532, 183.061], ['C', ' CG ', 147.449, 208.554, 183.545], ['C', ' SD ', 148.539, 207.487, 182.584], ['C', ' CE ', 147.88, 205.873, 182.991], ['C', ' H ', 147.253, 209.982, 180.719]]
[['C', ' N ', 144.119, 209.367, 179.95], ['C', ' CA ', 142.777, 209.581, 179.425], ['C', ' C ', 142.53, 208.61, 178.282], ['C', ' O ', 143.297, 208.578, 177.314], ['C', ' CB ', 142.593, 211.024, 178.943], ['C', ' CG ', 142.75, 212.036, 180.06], ['C', ' ND2', 141.911, 211.923, 181.083], ['C', ' OD1', 143.615, 212.91, 180.005], ['C', ' H ', 144.731, 209.401, 179.347], ['C', ' HA ', 142.123, 209.406, 180.12]]
[['C', ' N ', 141.459, 207.828, 178.393], ['C', ' CA ', 141.154, 206.83, 177.377], ['C', ' C ', 140.843, 207.497, 176.043], ['C', ' O ', 140.202, 208.55, 175.989], ['C', ' CB ', 139.971, 205.97, 177.824], ['C', ' CG ', 139.592, 204.909, 176.839], ['C', ' CD1', 138.647, 204.999, 175.859], ['C', ' CD2', 140.151, 203.594, 176.737], ['C', ' CE2', 139.496, 202.943, 175.673], ['C', ' CE3', 141.142, 202.904, 177.441], ['C', ' NE1', 138.583, 203.822, 175.154], ['C', ' CZ2', 139.799, 201.637, 175.297], ['C', ' CZ3', 141.441, 201.607, 177.067], ['C', ' CH2', 140.772, 200.987, 176.004], ['C', ' H ', 140.897, 207.857, 179.043], ['C', ' HA ', 141.922, 206.251, 177.256]]
[['C', ' N ', 141.304, 206.873, 174.962], ['C', ' CA ', 141.088, 207.36, 173.608], ['C', ' C ', 140.269, 206.346, 172.823], ['C', ' O ', 140.394, 205.135, 173.036], ['C', ' CB ', 142.418, 207.618, 172.893], ['C', ' SG ', 143.445, 208.886, 173.665], ['C', ' H ', 141.758, 206.143, 174.992], ['C', ' HA ', 140.593, 208.193, 173.638]]
[['C', ' N ', 139.431, 206.847, 171.916], ['C', ' CA ', 138.577, 206.013, 171.079], ['C', ' C ', 139.006, 206.056, 169.614], ['C', ' O ', 138.169, 205.98, 168.712], ['C', ' CB ', 137.117, 206.441, 171.221], ['C', ' CG ', 136.151, 205.427, 170.639], ['C', ' OD1', 136.613, 204.371, 170.159], ['C', ' OD2', 134.929, 205.686, 170.663], ['C', ' H ', 139.339, 207.688, 171.765], ['C', ' HA ', 138.645, 205.094, 171.379], ['C', ' HB2', 136.909, 206.548, 172.162], ['C', ' HB3', 136.988, 207.282, 170.755]]
[['C', ' N ', 140.307, 206.18, 169.365], ['C', ' CA ', 140.84, 206.252, 168.012], ['C', ' C ', 141.272, 204.896, 167.469], ['C', ' O ', 141.723, 204.821, 166.321], ['C', ' CB ', 142.028, 207.219, 167.968], ['C', ' OG ', 141.644, 208.518, 168.387], ['C', ' H ', 140.911, 206.225, 169.976], ['C', ' HA ', 140.154, 206.601, 167.423]]
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[['C', ' N ', 139.179, 202.078, 167.426], ['C', ' CA ', 138.061, 201.322, 166.869], ['C', ' C ', 138.085, 201.359, 165.348], ['C', ' O ', 137.58, 200.442, 164.689], ['C', ' CB ', 136.727, 201.863, 167.42], ['C', ' CG1', 136.556, 203.338, 167.052], ['C', ' CG2', 136.657, 201.67, 168.926], ['C', ' CD1', 135.258, 203.942, 167.541], ['C', ' H ', 138.951, 202.76, 167.897], ['C', ' HA ', 138.141, 200.396, 167.143]]
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[['C', ' N ', 153.996, 203.023, 179.078], ['C', ' CA ', 155.082, 203.88, 179.515], ['C', ' C ', 155.95, 203.156, 180.539], ['C', ' O ', 155.529, 202.162, 181.135], ['C', ' CB ', 154.528, 205.167, 180.115], ['C', ' CG ', 153.666, 204.953, 181.348], ['C', ' CD ', 153.088, 206.246, 181.888], ['C', ' NE2', 153.302, 207.338, 181.162], ['C', ' OE1', 152.456, 206.264, 182.944], ['C', ' H ', 153.234, 203.215, 179.426], ['C', ' HA ', 155.632, 204.109, 178.751]]
[['C', ' N ', 157.174, 203.636, 180.762], ['C', ' CA ', 158.063, 202.98, 181.734], ['C', ' C ', 157.5, 203.093, 183.142], ['C', ' O ', 157.384, 204.191, 183.691], ['C', ' CB ', 159.381, 203.749, 181.584], ['C', ' CG ', 158.976, 205.082, 181.051], ['C', ' CD ', 157.798, 204.823, 180.156]]
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[['C', ' N ', 157.35, 203.316, 186.935], ['C', ' CA ', 158.294, 203.874, 187.9], ['C', ' C ', 159.495, 204.492, 187.181], ['C', ' O ', 160.646, 204.087, 187.36], ['C', ' CB ', 158.738, 202.806, 188.906], ['C', ' CG ', 157.627, 202.132, 189.712], ['C', ' CD1', 158.207, 201.101, 190.667], ['C', ' CD2', 156.807, 203.166, 190.467]]
[['C', ' N ', 159.201, 205.493, 186.353], ['C', ' CA ', 160.211, 206.165, 185.555], ['C', ' C ', 160.491, 207.548, 186.118], ['C', ' O ', 159.55, 208.256, 186.501], ['C', ' CB ', 159.757, 206.28, 184.096], ['C', ' OG ', 158.553, 207.02, 183.994]]
[['C', ' N ', 161.757, 207.968, 186.187], ['C', ' CA ', 162.054, 209.305, 186.723], ['C', ' C ', 161.621, 210.437, 185.81], ['C', ' O ', 161.371, 211.543, 186.304], ['C', ' CB ', 163.578, 209.281, 186.897], ['C', ' CG ', 164.048, 208.292, 185.882], ['C', ' CD ', 162.977, 207.236, 185.806]]
[['C', ' N ', 161.52, 210.202, 184.5], ['C', ' CA ', 161.101, 211.267, 183.594], ['C', ' C ', 159.656, 211.672, 183.853], ['C', ' O ', 159.324, 212.864, 183.837], ['C', ' CB ', 161.285, 210.825, 182.143], ['C', ' OG ', 160.875, 211.843, 181.246]]
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[['C', ' N ', 144.396, 192.492, 183.065], ['C', ' CA ', 142.99, 192.171, 182.858], ['C', ' C ', 142.571, 192.263, 181.397], ['C', ' O ', 141.45, 191.864, 181.067], ['C', ' CB ', 142.109, 193.105, 183.691], ['C', ' CG2', 142.452, 192.984, 185.167], ['C', ' OG1', 142.315, 194.459, 183.27], ['C', ' H ', 144.539, 193.31, 183.286], ['C', ' HA ', 142.828, 191.263, 183.157]]
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[['C', ' N ', 145.35, 192.206, 178.491], ['C', ' CA ', 146.327, 191.569, 177.622], ['C', ' C ', 146.4, 190.07, 177.882], ['C', ' O ', 146.139, 189.594, 178.991], ['C', ' CB ', 147.707, 192.193, 177.825], ['C', ' SG ', 147.77, 193.969, 177.516], ['C', ' H ', 145.69, 192.58, 179.186], ['C', ' HA ', 146.067, 191.704, 176.698]]
[['C', ' N ', 146.76, 189.325, 176.837], ['C', ' CA ', 146.979, 187.89, 176.953], ['C', ' C ', 148.412, 187.545, 177.33], ['C', ' O ', 148.65, 186.465, 177.883], ['C', ' CB ', 146.627, 187.19, 175.637], ['C', ' CG ', 145.196, 187.352, 175.229], ['C', ' CD2', 144.199, 186.446, 175.095], ['C', ' ND1', 144.649, 188.574, 174.898], ['C', ' CE1', 143.377, 188.413, 174.581], ['C', ' NE2', 143.079, 187.132, 174.692], ['C', ' H ', 146.884, 189.633, 176.044], ['C', ' HA ', 146.398, 187.537, 177.643]]
[['C', ' N ', 149.363, 188.43, 177.045], ['C', ' CA ', 150.765, 188.226, 177.386], ['C', ' C ', 151.33, 189.546, 177.889], ['C', ' O ', 151.014, 190.614, 177.352], ['C', ' CB ', 151.576, 187.708, 176.181], ['C', ' CG1', 153.032, 187.51, 176.568], ['C', ' CG2', 150.977, 186.413, 175.656], ['C', ' H ', 149.215, 189.176, 176.644], ['C', ' HA ', 150.832, 187.575, 178.101]]
[['C', ' N ', 152.164, 189.473, 178.921], ['C', ' CA ', 152.789, 190.644, 179.526], ['C', ' C ', 154.293, 190.472, 179.36], ['C', ' O ', 154.919, 189.67, 180.063], ['C', ' CB ', 152.405, 190.813, 180.999], ['C', ' CG1', 153.06, 192.058, 181.577], ['C', ' CG2', 150.893, 190.883, 181.145], ['C', ' H ', 152.39, 188.735, 179.299], ['C', ' HA ', 152.518, 191.442, 179.046]]
[['C', ' N ', 154.878, 191.223, 178.429], ['C', ' CA ', 156.307, 191.122, 178.129], ['C', ' C ', 157.022, 192.053, 179.103], ['C', ' O ', 157.161, 193.254, 178.868], ['C', ' CB ', 156.609, 191.461, 176.673], ['C', ' CG1', 155.954, 190.439, 175.742], ['C', ' CG2', 158.107, 191.513, 176.443], ['C', ' CD1', 156.21, 190.698, 174.275], ['C', ' H ', 154.464, 191.805, 177.952], ['C', ' HA ', 156.606, 190.216, 178.297]]
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[['C', ' N ', 159.918, 193.566, 180.132], ['C', ' CA ', 161.255, 193.852, 179.627], ['C', ' C ', 162.109, 194.419, 180.753], ['C', ' O ', 161.625, 195.15, 181.625], ['C', ' CB ', 161.188, 194.821, 178.43], ['C', ' CG1', 162.579, 195.067, 177.87], ['C', ' CG2', 160.263, 194.272, 177.356], ['C', ' H ', 159.349, 194.194, 179.989], ['C', ' HA ', 161.665, 193.027, 179.324]]
[['C', ' N ', 163.396, 194.079, 180.736], ['C', ' CA ', 164.328, 194.518, 181.764], ['C', ' C ', 165.68, 194.799, 181.129], ['C', ' O ', 166.245, 193.93, 180.458], ['C', ' CB ', 164.474, 193.462, 182.866], ['C', ' CG ', 163.165, 193.077, 183.534], ['C', ' CD ', 163.35, 192.03, 184.614], ['C', ' NE2', 164.602, 191.716, 184.925], ['C', ' OE1', 162.379, 191.511, 185.164], ['C', ' H ', 163.756, 193.587, 180.129], ['C', ' HA ', 164.004, 195.338, 182.167]]
[['C', ' N ', 166.194, 196.012, 181.341], ['C', ' CA ', 167.525, 196.344, 180.847], ['C', ' C ', 168.589, 195.495, 181.53], ['C', ' O ', 169.461, 194.925, 180.864], ['C', ' CB ', 167.807, 197.83, 181.061], ['C', ' CG ', 169.231, 198.209, 180.712], ['C', ' OD1', 169.577, 198.182, 179.513], ['C', ' OD2', 170.006, 198.534, 181.636], ['C', ' H ', 165.797, 196.649, 181.761], ['C', ' HA ', 167.563, 196.164, 179.895]]
[['C', ' N ', 168.532, 195.399, 182.855], ['C', ' CA ', 169.42, 194.551, 183.632], ['C', ' C ', 168.598, 193.473, 184.323], ['C', ' O ', 167.406, 193.649, 184.592], ['C', ' CB ', 170.207, 195.366, 184.667], ['C', ' CG ', 169.356, 195.931, 185.76], ['C', ' CD1', 168.433, 196.929, 185.648], ['C', ' CD2', 169.355, 195.538, 187.137], ['C', ' CE2', 168.403, 196.337, 187.799], ['C', ' CE3', 170.066, 194.586, 187.874], ['C', ' NE1', 167.853, 197.178, 186.868], ['C', ' CZ2', 168.144, 196.213, 189.162], ['C', ' CZ3', 169.806, 194.464, 189.226], ['C', ' CH2', 168.854, 195.273, 189.855], ['C', ' H ', 167.967, 195.83, 183.338], ['C', ' HA ', 170.055, 194.118, 183.041]]
[['C', ' N ', 169.245, 192.349, 184.61], ['C', ' CA ', 168.553, 191.186, 185.145], ['C', ' C ', 168.451, 191.26, 186.663], ['C', ' O ', 169.339, 191.792, 187.335], ['C', ' CB ', 169.267, 189.898, 184.737], ['C', ' CG ', 168.585, 188.655, 185.225], ['C', ' CD1', 167.296, 188.358, 184.82], ['C', ' CD2', 169.226, 187.787, 186.089], ['C', ' CE1', 166.659, 187.221, 185.266], ['C', ' CE2', 168.594, 186.646, 186.537], ['C', ' CZ ', 167.307, 186.365, 186.126], ['C', ' H ', 170.09, 192.234, 184.503], ['C', ' HA ', 167.654, 191.16, 184.783]]
[['C', ' N ', 167.358, 190.713, 187.195], ['C', ' CA ', 166.852, 190.525, 188.553], ['C', ' C ', 166.711, 191.866, 189.276], ['C', ' O ', 167.386, 192.148, 190.269], ['C', ' CB ', 167.748, 189.568, 189.346], ['C', ' CG2', 167.196, 189.366, 190.75], ['C', ' OG1', 167.799, 188.301, 188.682], ['C', ' H ', 167.84, 191.006, 187.844], ['C', ' HA ', 165.97, 190.126, 188.501]]
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[['C', ' N ', 162.878, 195.165, 192.513], ['C', ' CA ', 161.758, 196.098, 192.494], ['C', ' C ', 160.698, 195.657, 191.494], ['C', ' O ', 159.497, 195.757, 191.767], ['C', ' CB ', 162.254, 197.506, 192.165], ['C', ' OG ', 162.847, 197.551, 190.88], ['C', ' H ', 163.639, 195.512, 192.315], ['C', ' HA ', 161.35, 196.12, 193.374]]
[['C', ' N ', 161.122, 195.151, 190.334], ['C', ' CA ', 160.16, 194.705, 189.331], ['C', ' C ', 159.357, 193.509, 189.829], ['C', ' O ', 158.138, 193.445, 189.632], ['C', ' CB ', 160.884, 194.356, 188.031], ['C', ' CG ', 161.623, 195.496, 187.328], ['C', ' CD1', 162.35, 194.981, 186.096], ['C', ' CD2', 160.66, 196.612, 186.957], ['C', ' H ', 161.946, 195.057, 190.109], ['C', ' HA ', 159.538, 195.425, 189.147]]
[['C', ' N ', 160.024, 192.549, 190.474], ['C', ' CA ', 159.326, 191.359, 190.946], ['C', ' C ', 158.433, 191.669, 192.14], ['C', ' O ', 157.426, 190.983, 192.352], ['C', ' CB ', 160.334, 190.268, 191.303], ['C', ' CG ', 161.139, 189.779, 190.122], ['C', ' CD1', 160.673, 188.746, 189.32], ['C', ' CD2', 162.363, 190.351, 189.806], ['C', ' CE1', 161.404, 188.296, 188.238], ['C', ' CE2', 163.102, 189.907, 188.726], ['C', ' CZ ', 162.617, 188.88, 187.946], ['C', ' OH ', 163.349, 188.435, 186.869], ['C', ' H ', 160.866, 192.565, 190.647], ['C', ' HA ', 158.762, 191.022, 190.233]]
[['C', ' N ', 158.778, 192.686, 192.927], ['C', ' CA ', 157.938, 193.112, 194.037], ['C', ' C ', 156.805, 194.027, 193.595], ['C', ' O ', 155.818, 194.164, 194.326], ['C', ' CB ', 158.786, 193.824, 195.096], ['C', ' CG ', 158.057, 194.08, 196.405], ['C', ' CD ', 158.985, 194.692, 197.441], ['C', ' NE ', 158.353, 194.786, 198.754], ['C', ' CZ ', 158.403, 193.83, 199.676], ['C', ' NH1', 159.057, 192.703, 199.431], ['C', ' NH2', 157.799, 194.0, 200.844], ['C', ' H ', 159.498, 193.147, 192.836], ['C', ' HA ', 157.544, 192.328, 194.45]]
[['C', ' N ', 156.925, 194.652, 192.424], ['C', ' CA ', 155.86, 195.475, 191.869], ['C', ' C ', 154.849, 194.646, 191.088], ['C', ' O ', 153.642, 194.892, 191.184], ['C', ' CB ', 156.459, 196.556, 190.965], ['C', ' CG ', 155.438, 197.335, 190.185], ['C', ' CD1', 154.81, 198.434, 190.745], ['C', ' CD2', 155.114, 196.974, 188.888], ['C', ' CE1', 153.874, 199.154, 190.029], ['C', ' CE2', 154.179, 197.689, 188.167], ['C', ' CZ ', 153.558, 198.781, 188.738], ['C', ' H ', 157.624, 194.611, 191.927], ['C', ' HA ', 155.392, 195.916, 192.594]]
[['C', ' N ', 155.32, 193.665, 190.314], ['C', ' CA ', 154.399, 192.793, 189.593], ['C', ' C ', 153.47, 192.067, 190.557], ['C', ' O ', 152.278, 191.898, 190.275], ['C', ' CB ', 155.181, 191.79, 188.745], ['C', ' CG ', 156.093, 192.373, 187.662], ['C', ' CD1', 156.84, 191.265, 186.938], ['C', ' CD2', 155.294, 193.214, 186.679], ['C', ' H ', 156.152, 193.489, 190.193], ['C', ' HA ', 153.853, 193.33, 188.999]]
[['C', ' N ', 153.998, 191.631, 191.703], ['C', ' CA ', 153.161, 190.995, 192.711], ['C', ' C ', 152.179, 191.974, 193.34], ['C', ' O ', 151.149, 191.545, 193.87], ['C', ' CB ', 154.035, 190.363, 193.795], ['C', ' CG ', 154.971, 189.282, 193.278], ['C', ' CD ', 155.834, 188.685, 194.372], ['C', ' NE2', 156.633, 187.686, 194.015], ['C', ' OE1', 155.782, 189.115, 195.524], ['C', ' H ', 154.829, 191.693, 191.915], ['C', ' HA ', 152.648, 190.287, 192.292]]
[['C', ' N ', 152.471, 193.274, 193.291], ['C', ' CA ', 151.541, 194.285, 193.775], ['C', ' C ', 150.504, 194.672, 192.731], ['C', ' O ', 149.406, 195.104, 193.099], ['C', ' CB ', 152.297, 195.542, 194.215], ['C', ' CG2', 153.272, 195.213, 195.334], ['C', ' OG1', 153.018, 196.083, 193.101], ['C', ' H ', 153.206, 193.596, 192.981], ['C', ' HA ', 151.07, 193.935, 194.547]]
[['C', ' N ', 150.826, 194.529, 191.444], ['C', ' CA ', 149.853, 194.785, 190.392], ['C', ' C ', 148.8, 193.692, 190.303], ['C', ' O ', 147.674, 193.965, 189.873], ['C', ' CB ', 150.561, 194.926, 189.044], ['C', ' H ', 151.599, 194.284, 191.159], ['C', ' HA ', 149.399, 195.621, 190.58]]
[['C', ' N ', 149.14, 192.464, 190.699], ['C', ' CA ', 148.144, 191.4, 190.746], ['C', ' C ', 147.118, 191.666, 191.838], ['C', ' O ', 145.937, 191.33, 191.686], ['C', ' CB ', 148.83, 190.054, 190.973], ['C', ' CG ', 149.926, 189.739, 189.971], ['C', ' CD ', 150.771, 188.553, 190.39], ['C', ' OE1', 150.567, 188.044, 191.512], ['C', ' OE2', 151.64, 188.13, 189.599], ['C', ' H ', 149.93, 192.226, 190.943], ['C', ' HA ', 147.679, 191.363, 189.896]]
[['C', ' N ', 147.55, 192.269, 192.947], ['C', ' CA ', 146.622, 192.578, 194.028], ['C', ' C ', 145.59, 193.611, 193.597], ['C', ' O ', 144.462, 193.61, 194.102], ['C', ' CB ', 147.393, 193.077, 195.251], ['C', ' CG ', 148.527, 192.16, 195.681], ['C', ' SD ', 149.431, 192.777, 197.113], ['C', ' CE ', 148.174, 192.658, 198.383], ['C', ' H ', 148.363, 192.506, 193.094], ['C', ' HA ', 146.162, 191.764, 194.279]]
[['C', ' N ', 145.954, 194.495, 192.667], ['C', ' CA ', 145.018, 195.495, 192.168], ['C', ' C ', 144.212, 194.994, 190.974], ['C', ' O ', 143.221, 195.636, 190.596], ['C', ' CB ', 145.763, 196.786, 191.783], ['C', ' CG1', 144.777, 197.875, 191.39], ['C', ' CG2', 146.649, 197.248, 192.929], ['C', ' H ', 146.736, 194.536, 192.313], ['C', ' HA ', 144.392, 195.717, 192.874]]
[['C', ' N ', 144.602, 193.87, 190.375], ['C', ' CA ', 143.907, 193.316, 189.221], ['C', ' C ', 142.434, 193.106, 189.557], ['C', ' O ', 142.1, 192.194, 190.324], ['C', ' CB ', 144.559, 191.998, 188.794], ['C', ' CG ', 144.024, 191.405, 187.496], ['C', ' CD ', 142.724, 190.644, 187.712], ['C', ' CE ', 142.241, 189.999, 186.424], ['C', ' NZ ', 140.969, 189.251, 186.62], ['C', ' H ', 145.28, 193.403, 190.624], ['C', ' HA ', 143.982, 193.934, 188.479]]
[['C', ' N ', 141.525, 193.918, 189.013], ['C', ' CA ', 140.098, 193.749, 189.332], ['C', ' C ', 139.554, 192.469, 188.716], ['C', ' O ', 139.557, 192.303, 187.494], ['C', ' CB ', 139.445, 194.995, 188.719], ['C', ' CG ', 140.57, 195.958, 188.486], ['C', ' CD ', 141.757, 195.106, 188.176]]
[['C', ' N ', 139.085, 191.563, 189.569], ['C', ' CA ', 138.5, 190.31, 189.12], ['C', ' C ', 136.977, 190.439, 189.098], ['C', ' O ', 136.417, 191.507, 189.361], ['C', ' CB ', 138.965, 189.161, 190.012], ['C', ' OG ', 138.577, 189.372, 191.359]]
[['C', ' N ', 136.289, 189.341, 188.788], ['C', ' CA ', 134.833, 189.327, 188.725], ['C', ' C ', 134.332, 190.429, 187.799], ['C', ' O ', 133.78, 191.433, 188.266], ['C', ' CB ', 134.228, 189.492, 190.121], ['C', ' CG2', 132.71, 189.392, 190.058], ['C', ' OG1', 134.732, 188.467, 190.986]]
[['C', ' N ', 134.51, 190.282, 186.478], ['C', ' CA ', 134.079, 191.285, 185.498], ['C', ' C ', 132.562, 191.436, 185.443], ['C', ' O ', 131.856, 190.544, 185.913], ['C', ' CB ', 134.621, 190.735, 184.176], ['C', ' CG ', 134.708, 189.265, 184.396], ['C', ' CD ', 135.106, 189.101, 185.832]]
[['C', ' N ', 136.976, 181.785, 188.633], ['C', ' CA ', 138.416, 181.79, 188.406], ['C', ' C ', 138.891, 183.166, 187.952], ['C', ' O ', 138.243, 183.818, 187.133], ['C', ' CB ', 138.827, 180.742, 187.356], ['C', ' CG2', 138.127, 181.01, 186.033], ['C', ' OG1', 140.246, 180.788, 187.16]]
[['C', ' N ', 140.026, 183.602, 188.491], ['C', ' CA ', 140.593, 184.901, 188.159], ['C', ' C ', 141.481, 184.778, 186.928], ['C', ' O ', 142.376, 183.928, 186.882], ['C', ' CB ', 141.398, 185.455, 189.334], ['C', ' CG ', 140.652, 185.445, 190.655], ['C', ' CD ', 141.49, 185.982, 191.796], ['C', ' OE1', 142.306, 186.897, 191.558], ['C', ' OE2', 141.339, 185.483, 192.93]]
[['C', ' N ', 141.229, 185.625, 185.934], ['C', ' CA ', 142.035, 185.62, 184.72], ['C', ' C ', 143.403, 186.228, 185.003], ['C', ' O ', 143.501, 187.387, 185.42], ['C', ' CB ', 141.324, 186.389, 183.61], ['C', ' CG ', 142.152, 186.545, 182.355], ['C', ' CD1', 142.217, 185.528, 181.412], ['C', ' CD2', 142.87, 187.709, 182.114], ['C', ' CE1', 142.973, 185.666, 180.265], ['C', ' CE2', 143.628, 187.855, 180.97], ['C', ' CZ ', 143.676, 186.831, 180.049], ['C', ' OH ', 144.429, 186.973, 178.907]]
[['C', ' N ', 144.457, 185.448, 184.775], ['C', ' CA ', 145.829, 185.9, 184.983], ['C', ' C ', 146.615, 185.65, 183.704], ['C', ' O ', 146.808, 184.478, 183.317], ['C', ' CB ', 146.472, 185.184, 186.173], ['C', ' CG ', 145.9, 185.594, 187.511], ['C', ' CD1', 145.415, 186.879, 187.715], ['C', ' CD2', 145.841, 184.696, 188.568], ['C', ' CE1', 144.891, 187.259, 188.935], ['C', ' CE2', 145.318, 185.068, 189.791], ['C', ' CZ ', 144.845, 186.35, 189.969], ['C', ' OH ', 144.323, 186.725, 191.186]]
[['C', ' N ', 147.084, 186.692, 183.018], ['C', ' CA ', 147.812, 186.48, 181.76], ['C', ' C ', 149.199, 185.902, 181.978], ['C', ' O ', 149.601, 185.639, 183.116], ['C', ' CB ', 147.876, 187.887, 181.157], ['C', ' CG ', 147.855, 188.787, 182.342], ['C', ' CD ', 146.959, 188.121, 183.352], ['C', ' HA ', 147.308, 185.898, 181.171]]
[['C', ' N ', 149.939, 185.701, 180.891], ['C', ' CA ', 151.281, 185.153, 180.972], ['C', ' C ', 152.271, 186.243, 181.381], ['C', ' O ', 151.901, 187.382, 181.679], ['C', ' CB ', 151.676, 184.524, 179.639], ['C', ' CG ', 150.785, 183.398, 179.216], ['C', ' CD2', 149.623, 183.392, 178.522], ['C', ' ND1', 151.061, 182.08, 179.511], ['C', ' CE1', 150.107, 181.311, 179.017], ['C', ' NE2', 149.223, 182.083, 178.411], ['C', ' H ', 149.68, 185.877, 180.09], ['C', ' HA ', 151.297, 184.461, 181.65]]
[['C', ' N ', 153.554, 185.886, 181.395], ['C', ' CA ', 154.61, 186.826, 181.762], ['C', ' C ', 155.875, 186.426, 181.017], ['C', ' O ', 156.507, 185.423, 181.361], ['C', ' CB ', 154.844, 186.833, 183.27], ['C', ' CG ', 153.715, 187.364, 184.153], ['C', ' CD1', 154.091, 187.24, 185.621], ['C', ' CD2', 153.39, 188.807, 183.803], ['C', ' H ', 153.84, 185.101, 181.194], ['C', ' HA ', 154.359, 187.72, 181.483]]
[['C', ' N ', 156.239, 187.205, 180.004], ['C', ' CA ', 157.457, 186.987, 179.234], ['C', ' C ', 158.518, 187.946, 179.755], ['C', ' O ', 158.366, 189.169, 179.652], ['C', ' CB ', 157.217, 187.19, 177.731], ['C', ' CG1', 158.499, 186.944, 176.951], ['C', ' CG2', 156.105, 186.273, 177.244], ['C', ' H ', 155.784, 187.884, 179.736], ['C', ' HA ', 157.77, 186.079, 179.373]]
[['C', ' N ', 159.592, 187.394, 180.315], ['C', ' CA ', 160.675, 188.194, 180.883], ['C', ' C ', 161.757, 188.358, 179.824], ['C', ' O ', 162.536, 187.437, 179.566], ['C', ' CB ', 161.224, 187.538, 182.145], ['C', ' CG ', 160.214, 187.408, 183.248], ['C', ' CD1', 160.026, 188.436, 184.156], ['C', ' CD2', 159.453, 186.259, 183.378], ['C', ' CE1', 159.098, 188.321, 185.172], ['C', ' CE2', 158.524, 186.138, 184.392], ['C', ' CZ ', 158.346, 187.17, 185.291], ['C', ' H ', 159.719, 186.547, 180.379], ['C', ' HA ', 160.34, 189.073, 181.117]]
[['C', ' N ', 161.806, 189.535, 179.206], ['C', ' CA ', 162.805, 189.85, 178.193], ['C', ' C ', 163.973, 190.57, 178.852], ['C', ' O ', 163.782, 191.593, 179.519], ['C', ' CB ', 162.21, 190.713, 177.08], ['C', ' CG ', 161.146, 190.094, 176.173], ['C', ' CD1', 160.84, 191.037, 175.022], ['C', ' CD2', 161.588, 188.736, 175.652], ['C', ' H ', 161.26, 190.18, 179.362], ['C', ' HA ', 163.137, 189.029, 177.803]]
[['C', ' N ', 165.177, 190.034, 178.665], ['C', ' CA ', 166.395, 190.66, 179.177], ['C', ' C ', 167.049, 191.505, 178.083], ['C', ' O ', 168.145, 191.222, 177.6], ['C', ' CB ', 167.349, 189.596, 179.707], ['C', ' CG ', 166.718, 188.645, 180.709], ['C', ' CD ', 166.21, 189.354, 181.949], ['C', ' NE2', 166.814, 190.492, 182.27], ['C', ' OE1', 165.289, 188.881, 182.615], ['C', ' H ', 165.317, 189.3, 178.24], ['C', ' HA ', 166.163, 191.249, 179.91]]
[['C', ' N ', 166.337, 192.56, 177.69], ['C', ' CA ', 166.824, 193.443, 176.64], ['C', ' C ', 168.224, 193.94, 176.975], ['C', ' O ', 168.561, 194.18, 178.138], ['C', ' CB ', 165.873, 194.627, 176.454], ['C', ' CG ', 166.171, 195.42, 175.197], ['C', ' ND2', 165.736, 196.676, 175.168], ['C', ' OD1', 166.785, 194.908, 174.261], ['C', ' H ', 165.573, 192.783, 178.015], ['C', ' HA ', 166.867, 192.953, 175.804]]
[['C', ' N ', 169.047, 194.094, 175.939], ['C', ' CA ', 170.446, 194.479, 176.105], ['C', ' C ', 171.194, 193.431, 176.927], ['C', ' O ', 171.888, 193.741, 177.897], ['C', ' CB ', 170.56, 195.864, 176.747], ['C', ' CG ', 169.881, 196.971, 175.958], ['C', ' CD ', 170.049, 198.318, 176.642], ['C', ' CE ', 169.346, 199.421, 175.871], ['C', ' NZ ', 169.499, 200.745, 176.534], ['C', ' H ', 168.814, 193.98, 175.119], ['C', ' HA ', 170.864, 194.523, 175.231]]
[['C', ' N ', 171.045, 192.172, 176.525], ['C', ' CA ', 171.662, 191.056, 177.226], ['C', ' C ', 173.098, 190.865, 176.755], ['C', ' O ', 173.387, 190.928, 175.557], ['C', ' CB ', 170.865, 189.771, 177.001], ['C', ' H ', 170.582, 191.937, 175.839], ['C', ' HA ', 171.676, 191.243, 178.177]]
[['C', ' N ', 173.994, 190.631, 177.71], ['C', ' CA ', 175.401, 190.426, 177.415], ['C', ' C ', 175.654, 188.959, 177.07], ['C', ' O ', 174.742, 188.13, 177.048], ['C', ' CB ', 176.259, 190.868, 178.599], ['C', ' CG ', 175.952, 192.27, 179.099], ['C', ' CD ', 176.198, 193.312, 178.021], ['C', ' NE ', 175.855, 194.656, 178.475], ['C', ' CZ ', 176.694, 195.467, 179.111], ['C', ' NH1', 177.932, 195.07, 179.372], ['C', ' NH2', 176.296, 196.674, 179.487], ['C', ' H ', 173.805, 190.586, 178.547], ['C', ' HA ', 175.646, 190.963, 176.646]]
[['C', ' N ', 176.918, 188.634, 176.794], ['C', ' CA ', 177.28, 187.257, 176.482], ['C', ' C ', 177.125, 186.334, 177.683], ['C', ' O ', 176.996, 185.119, 177.501], ['C', ' CB ', 178.718, 187.196, 175.968], ['C', ' CG ', 179.169, 185.807, 175.552], ['C', ' CD ', 180.653, 185.785, 175.23], ['C', ' NE ', 181.462, 186.159, 176.386], ['C', ' CZ ', 181.892, 185.3, 177.305], ['C', ' NH1', 181.59, 184.013, 177.204], ['C', ' NH2', 182.623, 185.728, 178.325], ['C', ' H ', 177.576, 189.187, 176.782], ['C', ' HA ', 176.697, 186.932, 175.778]]
[['C', ' N ', 177.132, 186.88, 178.901], ['C', ' CA ', 176.987, 186.042, 180.086], ['C', ' C ', 175.587, 185.45, 180.174], ['C', ' O ', 175.425, 184.268, 180.501], ['C', ' CB ', 177.298, 186.853, 181.343], ['C', ' CG ', 178.695, 187.449, 181.38], ['C', ' CD ', 178.935, 188.278, 182.626], ['C', ' OE1', 177.986, 188.445, 183.42], ['C', ' OE2', 180.071, 188.762, 182.814], ['C', ' H ', 177.219, 187.72, 179.064], ['C', ' HA ', 177.62, 185.309, 180.035]]
[['C', ' N ', 174.562, 186.254, 179.884], ['C', ' CA ', 173.186, 185.791, 180.019], ['C', ' C ', 172.893, 184.572, 179.154], ['C', ' O ', 171.914, 183.866, 179.415], ['C', ' CB ', 172.218, 186.92, 179.662], ['C', ' CG ', 172.391, 188.138, 180.548], ['C', ' OD1', 173.284, 188.117, 181.421], ['C', ' OD2', 171.634, 189.116, 180.372], ['C', ' H ', 174.638, 187.065, 179.609], ['C', ' HA ', 173.028, 185.544, 180.943]]
[['C', ' N ', 173.713, 184.309, 178.136], ['C', ' CA ', 173.51, 183.185, 177.23], ['C', ' C ', 174.383, 181.987, 177.586], ['C', ' O ', 174.797, 181.235, 176.697], ['C', ' CB ', 173.769, 183.622, 175.789], ['C', ' CG ', 172.791, 184.642, 175.282], ['C', ' CD1', 171.668, 184.252, 174.574], ['C', ' CD2', 172.992, 185.991, 175.519], ['C', ' CE1', 170.765, 185.187, 174.108], ['C', ' CE2', 172.093, 186.932, 175.055], ['C', ' CZ ', 170.978, 186.529, 174.349], ['C', ' H ', 174.407, 184.779, 177.946], ['C', ' HA ', 172.584, 182.901, 177.288]]
[['C', ' N ', 174.674, 181.794, 178.875], ['C', ' CA ', 175.456, 180.66, 179.336], ['C', ' C ', 174.572, 179.677, 180.1], ['C', ' O ', 173.613, 180.085, 180.763], ['C', ' CB ', 176.606, 181.111, 180.244], ['C', ' SG ', 177.791, 182.222, 179.451], ['C', ' H ', 174.422, 182.319, 179.508], ['C', ' HA ', 175.837, 180.206, 178.569]]
[['C', ' N ', 174.866, 178.375, 180.033], ['C', ' CA ', 174.011, 177.407, 180.741], ['C', ' C ', 173.894, 177.686, 182.228], ['C', ' O ', 172.784, 177.659, 182.777], ['C', ' CB ', 174.703, 176.064, 180.464], ['C', ' CG ', 175.493, 176.293, 179.219], ['C', ' CD ', 175.955, 177.714, 179.294], ['C', ' HA ', 173.125, 177.395, 180.348]]
[['C', ' N ', 175.015, 177.956, 182.901], ['C', ' CA ', 174.959, 178.274, 184.323], ['C', ' C ', 174.161, 179.548, 184.564], ['C', ' O ', 173.359, 179.621, 185.503], ['C', ' CB ', 176.375, 178.411, 184.882], ['C', ' CG ', 176.435, 178.582, 186.391], ['C', ' CD ', 177.872, 178.582, 186.886], ['C', ' NE ', 177.951, 178.638, 188.342], ['C', ' CZ ', 179.086, 178.599, 189.031], ['C', ' NH1', 180.246, 178.502, 188.396], ['C', ' NH2', 179.063, 178.655, 190.356], ['C', ' H ', 175.805, 177.96, 182.561], ['C', ' HA ', 174.519, 177.55, 184.793]]
[['C', ' N ', 174.363, 180.564, 183.722], ['C', ' CA ', 173.594, 181.795, 183.856], ['C', ' C ', 172.113, 181.549, 183.599], ['C', ' O ', 171.259, 182.111, 184.292], ['C', ' CB ', 174.135, 182.858, 182.901], ['C', ' CG ', 175.531, 183.353, 183.246], ['C', ' CD ', 175.543, 184.094, 184.574], ['C', ' CE ', 174.589, 185.277, 184.553], ['C', ' NZ ', 174.941, 186.258, 183.49], ['C', ' H ', 174.931, 180.563, 183.076], ['C', ' HA ', 173.687, 182.128, 184.762]]
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[['C', ' N ', 153.51, 185.414, 168.756], ['C', ' CA ', 152.368, 185.118, 167.899], ['C', ' C ', 151.719, 183.794, 168.284], ['C', ' O ', 150.491, 183.659, 168.229], ['C', ' CB ', 152.806, 185.092, 166.435], ['C', ' CG ', 153.352, 186.416, 165.927], ['C', ' SD ', 153.853, 186.339, 164.197], ['C', ' CE ', 154.349, 188.036, 163.913], ['C', ' H ', 154.27, 185.417, 168.355], ['C', ' HA ', 151.713, 185.826, 167.998]]
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[['C', ' N ', 151.686, 182.467, 171.262], ['C', ' CA ', 151.279, 182.421, 172.66], ['C', ' C ', 149.816, 182.016, 172.78], ['C', ' O ', 148.985, 182.363, 171.936], ['C', ' CB ', 151.504, 183.778, 173.327], ['C', ' CG ', 152.966, 184.14, 173.526], ['C', ' SD ', 153.842, 182.949, 174.558], ['C', ' CE ', 152.884, 183.04, 176.068]]
[['C', ' N ', 149.505, 181.272, 173.839], ['C', ' CA ', 148.134, 180.843, 174.072], ['C', ' C ', 147.215, 182.05, 174.21], ['C', ' O ', 147.535, 183.021, 174.901], ['C', ' CB ', 148.055, 179.971, 175.325]]
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[['C', ' N ', 143.88, 182.477, 175.622], ['C', ' CA ', 142.69, 182.034, 176.355], ['C', ' C ', 141.563, 183.049, 176.245], ['C', ' O ', 141.774, 184.234, 175.98], ['C', ' CB ', 143.188, 181.905, 177.799], ['C', ' CG ', 144.358, 182.829, 177.873], ['C', ' CD ', 145.009, 182.767, 176.522]]
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[['C', ' N ', 138.572, 185.641, 177.13], ['C', ' CA ', 138.596, 186.811, 177.995], ['C', ' C ', 137.693, 186.573, 179.205], ['C', ' O ', 137.301, 185.443, 179.507], ['C', ' CB ', 138.207, 188.06, 177.209], ['C', ' CG ', 139.371, 188.78, 176.523], ['C', ' CD1', 140.132, 187.834, 175.606], ['C', ' CD2', 138.884, 189.998, 175.753]]
[['C', ' N ', 137.368, 187.652, 179.921], ['C', ' CA ', 136.676, 187.561, 181.201], ['C', ' C ', 135.508, 186.578, 181.179], ['C', ' O ', 135.509, 185.578, 181.905], ['C', ' CB ', 136.19, 188.954, 181.614], ['C', ' OG ', 135.268, 189.469, 180.67]]
[['C', ' N ', 134.497, 186.847, 180.349], ['C', ' CA ', 133.311, 186.002, 180.332], ['C', ' C ', 132.725, 185.772, 178.945], ['C', ' O ', 131.7, 185.091, 178.84], ['C', ' CB ', 132.226, 186.597, 181.248], ['C', ' CG ', 131.138, 185.633, 181.604], ['C', ' CD2', 131.012, 184.776, 182.645], ['C', ' ND1', 130.003, 185.474, 180.839], ['C', ' CE1', 129.225, 184.561, 181.392], ['C', ' NE2', 129.814, 184.122, 182.49]]
[['C', ' N ', 133.332, 186.3, 177.884], ['C', ' CA ', 132.806, 186.138, 176.536], ['C', ' C ', 133.968, 186.085, 175.553], ['C', ' O ', 135.14, 186.165, 175.934], ['C', ' CB ', 131.834, 187.268, 176.173], ['C', ' CG2', 130.611, 187.236, 177.078], ['C', ' OG1', 132.494, 188.532, 176.31]]
[['C', ' N ', 133.632, 185.949, 174.268], ['C', ' CA ', 134.661, 185.919, 173.235], ['C', ' C ', 135.355, 187.271, 173.136], ['C', ' O ', 136.581, 187.346, 172.986], ['C', ' CB ', 134.054, 185.491, 171.887], ['C', ' CG1', 135.135, 185.444, 170.807], ['C', ' CG2', 132.93, 186.435, 171.485], ['C', ' CD1', 136.264, 184.487, 171.118]]
[['C', ' N ', 134.59, 188.357, 173.22], ['C', ' CA ', 135.133, 189.713, 173.203], ['C', ' C ', 135.994, 189.94, 171.957], ['C', ' O ', 137.207, 190.145, 172.02], ['C', ' CB ', 135.917, 189.994, 174.488], ['C', ' CG ', 135.073, 190.024, 175.765], ['C', ' CD1', 135.933, 190.327, 176.981], ['C', ' CD2', 133.946, 191.038, 175.635]]
[['C', ' N ', 135.317, 189.889, 170.811], ['C', ' CA ', 135.96, 190.11, 169.521], ['C', ' C ', 136.695, 191.444, 169.507], ['C', ' O ', 136.48, 192.285, 170.385], ['C', ' CB ', 134.928, 190.065, 168.392], ['C', ' CG2', 134.247, 188.705, 168.346], ['C', ' OG1', 133.94, 191.081, 168.604], ['C', ' H ', 134.474, 189.727, 170.756], ['C', ' HA ', 136.608, 189.406, 169.367]]
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[['C', ' N ', 161.503, 204.425, 161.437], ['C', ' CA ', 160.429, 203.662, 160.818], ['C', ' C ', 159.651, 202.819, 161.819], ['C', ' O ', 158.579, 202.311, 161.472], ['C', ' CB ', 160.992, 202.753, 159.723], ['C', ' CG2', 161.652, 203.582, 158.631], ['C', ' OG1', 161.96, 201.863, 160.291], ['C', ' H ', 162.286, 204.091, 161.313], ['C', ' HA ', 159.806, 204.279, 160.403]]
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[['C', ' N ', 157.857, 204.967, 168.823], ['C', ' CA ', 159.057, 205.794, 168.826], ['C', ' C ', 160.06, 205.281, 169.849], ['C', ' O ', 159.735, 205.126, 171.03], ['C', ' CB ', 158.694, 207.249, 169.119], ['C', ' CG ', 157.981, 207.959, 167.981], ['C', ' CD ', 157.858, 209.448, 168.262], ['C', ' NE ', 157.284, 210.175, 167.134], ['C', ' CZ ', 157.146, 211.496, 167.09], ['C', ' NH1', 157.543, 212.24, 168.113], ['C', ' NH2', 156.613, 212.074, 166.022]]
[['C', ' N ', 161.281, 205.019, 169.391], ['C', ' CA ', 162.366, 204.615, 170.268], ['C', ' C ', 163.142, 205.846, 170.733], ['C', ' O ', 162.815, 206.986, 170.392], ['C', ' CB ', 163.281, 203.617, 169.559]]
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[['C', ' N ', 166.395, 207.927, 170.458], ['C', ' CA ', 167.55, 208.21, 169.617], ['C', ' C ', 168.381, 209.371, 170.14], ['C', ' O ', 169.593, 209.23, 170.33], ['C', ' CB ', 167.096, 208.5, 168.179], ['C', ' OG ', 166.226, 209.618, 168.135]]
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[['C', ' N ', 166.92, 211.392, 172.841], ['C', ' CA ', 166.419, 211.707, 174.173], ['C', ' C ', 167.24, 211.037, 175.267], ['C', ' O ', 167.264, 211.524, 176.402], ['C', ' CB ', 164.95, 211.299, 174.293], ['C', ' CG ', 164.313, 211.664, 175.622], ['C', ' CD ', 162.827, 211.368, 175.653], ['C', ' OE1', 162.313, 210.796, 174.67], ['C', ' OE2', 162.172, 211.711, 176.66]]
[['C', ' N ', 167.91, 209.927, 174.952], ['C', ' CA ', 168.752, 209.262, 175.94], ['C', ' C ', 169.852, 210.195, 176.433], ['C', ' O ', 170.033, 210.385, 177.641], ['C', ' CB ', 169.35, 207.986, 175.345], ['C', ' CG ', 168.317, 206.969, 174.892], ['C', ' SD ', 169.065, 205.47, 174.225], ['C', ' CE ', 170.014, 206.143, 172.864]]
[['C', ' N ', 170.6, 210.791, 175.501], ['C', ' CA ', 171.678, 211.695, 175.885], ['C', ' C ', 171.151, 212.919, 176.623], ['C', ' O ', 171.846, 213.471, 177.482], ['C', ' CB ', 172.471, 212.119, 174.649], ['C', ' CG ', 173.113, 210.962, 173.899], ['C', ' CD ', 173.814, 211.441, 172.639], ['C', ' CE ', 172.833, 212.085, 171.673], ['C', ' NZ ', 171.759, 211.14, 171.26]]
[['C', ' N ', 169.935, 213.356, 176.306], ['C', ' CA ', 169.343, 214.513, 176.964], ['C', ' C ', 168.73, 214.078, 178.295], ['C', ' O ', 168.965, 212.97, 178.785], ['C', ' CB ', 168.321, 215.183, 176.05], ['C', ' CG ', 167.075, 214.356, 175.789], ['C', ' CD ', 166.095, 215.055, 174.867], ['C', ' OE1', 166.387, 216.191, 174.439], ['C', ' OE2', 165.033, 214.468, 174.571]]
[['C', ' N ', 167.933, 214.959, 178.898], ['C', ' CA ', 167.359, 214.697, 180.212], ['C', ' C ', 166.542, 213.41, 180.214], ['C', ' O ', 165.491, 213.328, 179.572], ['C', ' CB ', 166.499, 215.881, 180.668], ['C', ' CG ', 165.197, 216.075, 179.895], ['C', ' CD ', 165.444, 216.448, 178.442], ['C', ' NE ', 164.197, 216.605, 177.699], ['C', ' CZ ', 163.555, 215.608, 177.097], ['C', ' NH1', 162.426, 215.842, 176.443], ['C', ' NH2', 164.042, 214.376, 177.152]]
[['C', ' N ', 167.027, 212.402, 180.933], ['C', ' CA ', 166.353, 211.133, 181.117], ['C', ' C ', 165.809, 210.566, 179.824], ['C', ' O ', 166.364, 210.757, 178.737]]
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[['C', ' N ', 148.022, 216.373, 191.709], ['C', ' CA ', 146.884, 215.899, 190.915], ['C', ' C ', 146.004, 214.916, 191.682], ['C', ' O ', 146.047, 213.715, 191.416], ['C', ' CB ', 147.554, 215.214, 189.722], ['C', ' CG ', 148.871, 214.764, 190.25], ['C', ' CD ', 149.3, 215.824, 191.224]]
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[['C', ' N ', 148.698, 213.552, 197.36], ['C', ' CA ', 149.483, 214.34, 198.299], ['C', ' C ', 150.927, 214.538, 197.862], ['C', ' O ', 151.566, 215.496, 198.31], ['C', ' CB ', 149.468, 213.684, 199.686], ['C', ' CG ', 150.055, 212.287, 199.675], ['C', ' ND2', 149.212, 211.292, 199.422], ['C', ' OD1', 151.253, 212.103, 199.891]]
[['C', ' N ', 151.455, 213.662, 197.004], ['C', ' CA ', 152.834, 213.752, 196.559], ['C', ' C ', 152.943, 213.157, 195.164], ['C', ' O ', 152.301, 212.134, 194.885], ['C', ' CB ', 153.782, 213.02, 197.514], ['C', ' CG ', 155.279, 213.13, 197.224], ['C', ' CD1', 155.749, 214.567, 197.374], ['C', ' CD2', 156.07, 212.205, 198.135]]
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[['C', ' N ', 155.438, 211.577, 193.971], ['C', ' CA ', 156.166, 210.314, 194.019], ['C', ' C ', 155.216, 209.141, 194.224], ['C', ' O ', 155.393, 208.079, 193.616], ['C', ' CB ', 157.215, 210.36, 195.128], ['C', ' CG ', 158.169, 211.506, 195.004], ['C', ' CD2', 158.097, 212.778, 195.462], ['C', ' ND1', 159.366, 211.408, 194.33], ['C', ' CE1', 159.993, 212.57, 194.38], ['C', ' NE2', 159.245, 213.418, 195.061], ['C', ' H ', 155.571, 212.094, 194.645], ['C', ' HA ', 156.627, 210.182, 193.175]]
[['C', ' N ', 154.206, 209.312, 195.073], ['C', ' CA ', 153.181, 208.295, 195.261], ['C', ' C ', 152.172, 208.266, 194.121], ['C', ' O ', 151.245, 207.45, 194.153], ['C', ' CB ', 152.453, 208.513, 196.59], ['C', ' CG2', 151.8, 209.886, 196.622], ['C', ' OG1', 151.445, 207.508, 196.756]]
[['C', ' N ', 152.333, 209.133, 193.122], ['C', ' CA ', 151.466, 209.165, 191.951], ['C', ' C ', 152.062, 208.425, 190.763], ['C', ' O ', 151.328, 207.768, 190.019], ['C', ' CB ', 151.172, 210.614, 191.554], ['C', ' CG ', 150.287, 210.749, 190.336], ['C', ' CD1', 148.912, 210.588, 190.433], ['C', ' CD2', 150.825, 211.042, 189.092], ['C', ' CE1', 148.098, 210.711, 189.323], ['C', ' CE2', 150.021, 211.169, 187.978], ['C', ' CZ ', 148.658, 211.002, 188.098], ['C', ' OH ', 147.852, 211.127, 186.99], ['C', ' HA ', 150.622, 208.741, 192.172]]
[['C', ' N ', 153.379, 208.516, 190.566], ['C', ' CA ', 154.024, 207.733, 189.52], ['C', ' C ', 153.915, 206.244, 189.806], ['C', ' O ', 153.972, 205.431, 188.876], ['C', ' CB ', 155.499, 208.144, 189.366], ['C', ' CG1', 155.604, 209.612, 188.987], ['C', ' CG2', 156.264, 207.862, 190.65], ['C', ' H ', 153.912, 209.017, 191.018], ['C', ' HA ', 153.577, 207.909, 188.677]]
[['C', ' N ', 153.759, 205.864, 191.074], ['C', ' CA ', 153.532, 204.472, 191.435], ['C', ' C ', 152.094, 204.034, 191.207], ['C', ' O ', 151.846, 202.835, 191.037], ['C', ' CB ', 153.908, 204.238, 192.902], ['C', ' CG ', 155.347, 204.589, 193.238], ['C', ' CD ', 155.666, 204.394, 194.707], ['C', ' OE1', 154.761, 203.983, 195.464], ['C', ' OE2', 156.821, 204.651, 195.105]]
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[['C', ' N ', 141.525, 193.918, 189.013], ['C', ' CA ', 140.098, 193.749, 189.332], ['C', ' C ', 139.554, 192.469, 188.716], ['C', ' O ', 139.557, 192.303, 187.494], ['C', ' CB ', 139.445, 194.995, 188.719], ['C', ' CG ', 140.57, 195.958, 188.486], ['C', ' CD ', 141.757, 195.106, 188.176]]
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[['C', ' N ', 140.026, 183.602, 188.491], ['C', ' CA ', 140.593, 184.901, 188.159], ['C', ' C ', 141.481, 184.778, 186.928], ['C', ' O ', 142.376, 183.928, 186.882], ['C', ' CB ', 141.398, 185.455, 189.334], ['C', ' CG ', 140.652, 185.445, 190.655], ['C', ' CD ', 141.49, 185.982, 191.796], ['C', ' OE1', 142.306, 186.897, 191.558], ['C', ' OE2', 141.339, 185.483, 192.93]]
[['C', ' N ', 141.229, 185.625, 185.934], ['C', ' CA ', 142.035, 185.62, 184.72], ['C', ' C ', 143.403, 186.228, 185.003], ['C', ' O ', 143.501, 187.387, 185.42], ['C', ' CB ', 141.324, 186.389, 183.61], ['C', ' CG ', 142.152, 186.545, 182.355], ['C', ' CD1', 142.217, 185.528, 181.412], ['C', ' CD2', 142.87, 187.709, 182.114], ['C', ' CE1', 142.973, 185.666, 180.265], ['C', ' CE2', 143.628, 187.855, 180.97], ['C', ' CZ ', 143.676, 186.831, 180.049], ['C', ' OH ', 144.429, 186.973, 178.907]]
[['C', ' N ', 144.457, 185.448, 184.775], ['C', ' CA ', 145.829, 185.9, 184.983], ['C', ' C ', 146.615, 185.65, 183.704], ['C', ' O ', 146.808, 184.478, 183.317], ['C', ' CB ', 146.472, 185.184, 186.173], ['C', ' CG ', 145.9, 185.594, 187.511], ['C', ' CD1', 145.415, 186.879, 187.715], ['C', ' CD2', 145.841, 184.696, 188.568], ['C', ' CE1', 144.891, 187.259, 188.935], ['C', ' CE2', 145.318, 185.068, 189.791], ['C', ' CZ ', 144.845, 186.35, 189.969], ['C', ' OH ', 144.323, 186.725, 191.186]]
[['C', ' N ', 147.084, 186.692, 183.018], ['C', ' CA ', 147.812, 186.48, 181.76], ['C', ' C ', 149.199, 185.902, 181.978], ['C', ' O ', 149.601, 185.639, 183.116], ['C', ' CB ', 147.876, 187.887, 181.157], ['C', ' CG ', 147.855, 188.787, 182.342], ['C', ' CD ', 146.959, 188.121, 183.352], ['C', ' HA ', 147.308, 185.898, 181.171]]
[['C', ' N ', 149.939, 185.701, 180.891], ['C', ' CA ', 151.281, 185.153, 180.972], ['C', ' C ', 152.271, 186.243, 181.381], ['C', ' O ', 151.901, 187.382, 181.679], ['C', ' CB ', 151.676, 184.524, 179.639], ['C', ' CG ', 150.785, 183.398, 179.216], ['C', ' CD2', 149.623, 183.392, 178.522], ['C', ' ND1', 151.061, 182.08, 179.511], ['C', ' CE1', 150.107, 181.311, 179.017], ['C', ' NE2', 149.223, 182.083, 178.411], ['C', ' H ', 149.68, 185.877, 180.09], ['C', ' HA ', 151.297, 184.461, 181.65]]
[['C', ' N ', 153.554, 185.886, 181.395], ['C', ' CA ', 154.61, 186.826, 181.762], ['C', ' C ', 155.875, 186.426, 181.017], ['C', ' O ', 156.507, 185.423, 181.361], ['C', ' CB ', 154.844, 186.833, 183.27], ['C', ' CG ', 153.715, 187.364, 184.153], ['C', ' CD1', 154.091, 187.24, 185.621], ['C', ' CD2', 153.39, 188.807, 183.803], ['C', ' H ', 153.84, 185.101, 181.194], ['C', ' HA ', 154.359, 187.72, 181.483]]
[['C', ' N ', 156.239, 187.205, 180.004], ['C', ' CA ', 157.457, 186.987, 179.234], ['C', ' C ', 158.518, 187.946, 179.755], ['C', ' O ', 158.366, 189.169, 179.652], ['C', ' CB ', 157.217, 187.19, 177.731], ['C', ' CG1', 158.499, 186.944, 176.951], ['C', ' CG2', 156.105, 186.273, 177.244], ['C', ' H ', 155.784, 187.884, 179.736], ['C', ' HA ', 157.77, 186.079, 179.373]]
[['C', ' N ', 159.592, 187.394, 180.315], ['C', ' CA ', 160.675, 188.194, 180.883], ['C', ' C ', 161.757, 188.358, 179.824], ['C', ' O ', 162.536, 187.437, 179.566], ['C', ' CB ', 161.224, 187.538, 182.145], ['C', ' CG ', 160.214, 187.408, 183.248], ['C', ' CD1', 160.026, 188.436, 184.156], ['C', ' CD2', 159.453, 186.259, 183.378], ['C', ' CE1', 159.098, 188.321, 185.172], ['C', ' CE2', 158.524, 186.138, 184.392], ['C', ' CZ ', 158.346, 187.17, 185.291], ['C', ' H ', 159.719, 186.547, 180.379], ['C', ' HA ', 160.34, 189.073, 181.117]]
[['C', ' N ', 161.806, 189.535, 179.206], ['C', ' CA ', 162.805, 189.85, 178.193], ['C', ' C ', 163.973, 190.57, 178.852], ['C', ' O ', 163.782, 191.593, 179.519], ['C', ' CB ', 162.21, 190.713, 177.08], ['C', ' CG ', 161.146, 190.094, 176.173], ['C', ' CD1', 160.84, 191.037, 175.022], ['C', ' CD2', 161.588, 188.736, 175.652], ['C', ' H ', 161.26, 190.18, 179.362], ['C', ' HA ', 163.137, 189.029, 177.803]]
[['C', ' N ', 165.177, 190.034, 178.665], ['C', ' CA ', 166.395, 190.66, 179.177], ['C', ' C ', 167.049, 191.505, 178.083], ['C', ' O ', 168.145, 191.222, 177.6], ['C', ' CB ', 167.349, 189.596, 179.707], ['C', ' CG ', 166.718, 188.645, 180.709], ['C', ' CD ', 166.21, 189.354, 181.949], ['C', ' NE2', 166.814, 190.492, 182.27], ['C', ' OE1', 165.289, 188.881, 182.615], ['C', ' H ', 165.317, 189.3, 178.24], ['C', ' HA ', 166.163, 191.249, 179.91]]
[['C', ' N ', 166.337, 192.56, 177.69], ['C', ' CA ', 166.824, 193.443, 176.64], ['C', ' C ', 168.224, 193.94, 176.975], ['C', ' O ', 168.561, 194.18, 178.138], ['C', ' CB ', 165.873, 194.627, 176.454], ['C', ' CG ', 166.171, 195.42, 175.197], ['C', ' ND2', 165.736, 196.676, 175.168], ['C', ' OD1', 166.785, 194.908, 174.261], ['C', ' H ', 165.573, 192.783, 178.015], ['C', ' HA ', 166.867, 192.953, 175.804]]
[['C', ' N ', 169.047, 194.094, 175.939], ['C', ' CA ', 170.446, 194.479, 176.105], ['C', ' C ', 171.194, 193.431, 176.927], ['C', ' O ', 171.888, 193.741, 177.897], ['C', ' CB ', 170.56, 195.864, 176.747], ['C', ' CG ', 169.881, 196.971, 175.958], ['C', ' CD ', 170.049, 198.318, 176.642], ['C', ' CE ', 169.346, 199.421, 175.871], ['C', ' NZ ', 169.499, 200.745, 176.534], ['C', ' H ', 168.814, 193.98, 175.119], ['C', ' HA ', 170.864, 194.523, 175.231]]
[['C', ' N ', 171.045, 192.172, 176.525], ['C', ' CA ', 171.662, 191.056, 177.226], ['C', ' C ', 173.098, 190.865, 176.755], ['C', ' O ', 173.387, 190.928, 175.557], ['C', ' CB ', 170.865, 189.771, 177.001], ['C', ' H ', 170.582, 191.937, 175.839], ['C', ' HA ', 171.676, 191.243, 178.177]]
[['C', ' N ', 173.994, 190.631, 177.71], ['C', ' CA ', 175.401, 190.426, 177.415], ['C', ' C ', 175.654, 188.959, 177.07], ['C', ' O ', 174.742, 188.13, 177.048], ['C', ' CB ', 176.259, 190.868, 178.599], ['C', ' CG ', 175.952, 192.27, 179.099], ['C', ' CD ', 176.198, 193.312, 178.021], ['C', ' NE ', 175.855, 194.656, 178.475], ['C', ' CZ ', 176.694, 195.467, 179.111], ['C', ' NH1', 177.932, 195.07, 179.372], ['C', ' NH2', 176.296, 196.674, 179.487], ['C', ' H ', 173.805, 190.586, 178.547], ['C', ' HA ', 175.646, 190.963, 176.646]]
[['C', ' N ', 176.918, 188.634, 176.794], ['C', ' CA ', 177.28, 187.257, 176.482], ['C', ' C ', 177.125, 186.334, 177.683], ['C', ' O ', 176.996, 185.119, 177.501], ['C', ' CB ', 178.718, 187.196, 175.968], ['C', ' CG ', 179.169, 185.807, 175.552], ['C', ' CD ', 180.653, 185.785, 175.23], ['C', ' NE ', 181.462, 186.159, 176.386], ['C', ' CZ ', 181.892, 185.3, 177.305], ['C', ' NH1', 181.59, 184.013, 177.204], ['C', ' NH2', 182.623, 185.728, 178.325], ['C', ' H ', 177.576, 189.187, 176.782], ['C', ' HA ', 176.697, 186.932, 175.778]]
[['C', ' N ', 177.132, 186.88, 178.901], ['C', ' CA ', 176.987, 186.042, 180.086], ['C', ' C ', 175.587, 185.45, 180.174], ['C', ' O ', 175.425, 184.268, 180.501], ['C', ' CB ', 177.298, 186.853, 181.343], ['C', ' CG ', 178.695, 187.449, 181.38], ['C', ' CD ', 178.935, 188.278, 182.626], ['C', ' OE1', 177.986, 188.445, 183.42], ['C', ' OE2', 180.071, 188.762, 182.814], ['C', ' H ', 177.219, 187.72, 179.064], ['C', ' HA ', 177.62, 185.309, 180.035]]
[['C', ' N ', 174.562, 186.254, 179.884], ['C', ' CA ', 173.186, 185.791, 180.019], ['C', ' C ', 172.893, 184.572, 179.154], ['C', ' O ', 171.914, 183.866, 179.415], ['C', ' CB ', 172.218, 186.92, 179.662], ['C', ' CG ', 172.391, 188.138, 180.548], ['C', ' OD1', 173.284, 188.117, 181.421], ['C', ' OD2', 171.634, 189.116, 180.372], ['C', ' H ', 174.638, 187.065, 179.609], ['C', ' HA ', 173.028, 185.544, 180.943]]
[['C', ' N ', 173.713, 184.309, 178.136], ['C', ' CA ', 173.51, 183.185, 177.23], ['C', ' C ', 174.383, 181.987, 177.586], ['C', ' O ', 174.797, 181.235, 176.697], ['C', ' CB ', 173.769, 183.622, 175.789], ['C', ' CG ', 172.791, 184.642, 175.282], ['C', ' CD1', 171.668, 184.252, 174.574], ['C', ' CD2', 172.992, 185.991, 175.519], ['C', ' CE1', 170.765, 185.187, 174.108], ['C', ' CE2', 172.093, 186.932, 175.055], ['C', ' CZ ', 170.978, 186.529, 174.349], ['C', ' H ', 174.407, 184.779, 177.946], ['C', ' HA ', 172.584, 182.901, 177.288]]
[['C', ' N ', 174.674, 181.794, 178.875], ['C', ' CA ', 175.456, 180.66, 179.336], ['C', ' C ', 174.572, 179.677, 180.1], ['C', ' O ', 173.613, 180.085, 180.763], ['C', ' CB ', 176.606, 181.111, 180.244], ['C', ' SG ', 177.791, 182.222, 179.451], ['C', ' H ', 174.422, 182.319, 179.508], ['C', ' HA ', 175.837, 180.206, 178.569]]
[['C', ' N ', 174.866, 178.375, 180.033], ['C', ' CA ', 174.011, 177.407, 180.741], ['C', ' C ', 173.894, 177.686, 182.228], ['C', ' O ', 172.784, 177.659, 182.777], ['C', ' CB ', 174.703, 176.064, 180.464], ['C', ' CG ', 175.493, 176.293, 179.219], ['C', ' CD ', 175.955, 177.714, 179.294], ['C', ' HA ', 173.125, 177.395, 180.348]]
[['C', ' N ', 175.015, 177.956, 182.901], ['C', ' CA ', 174.959, 178.274, 184.323], ['C', ' C ', 174.161, 179.548, 184.564], ['C', ' O ', 173.359, 179.621, 185.503], ['C', ' CB ', 176.375, 178.411, 184.882], ['C', ' CG ', 176.435, 178.582, 186.391], ['C', ' CD ', 177.872, 178.582, 186.886], ['C', ' NE ', 177.951, 178.638, 188.342], ['C', ' CZ ', 179.086, 178.599, 189.031], ['C', ' NH1', 180.246, 178.502, 188.396], ['C', ' NH2', 179.063, 178.655, 190.356], ['C', ' H ', 175.805, 177.96, 182.561], ['C', ' HA ', 174.519, 177.55, 184.793]]
[['C', ' N ', 174.363, 180.564, 183.722], ['C', ' CA ', 173.594, 181.795, 183.856], ['C', ' C ', 172.113, 181.549, 183.599], ['C', ' O ', 171.259, 182.111, 184.292], ['C', ' CB ', 174.135, 182.858, 182.901], ['C', ' CG ', 175.531, 183.353, 183.246], ['C', ' CD ', 175.543, 184.094, 184.574], ['C', ' CE ', 174.589, 185.277, 184.553], ['C', ' NZ ', 174.941, 186.258, 183.49], ['C', ' H ', 174.931, 180.563, 183.076], ['C', ' HA ', 173.687, 182.128, 184.762]]
[['C', ' N ', 171.788, 180.713, 182.612], ['C', ' CA ', 170.389, 180.385, 182.354], ['C', ' C ', 169.757, 179.71, 183.565], ['C', ' O ', 168.637, 180.047, 183.966], ['C', ' CB ', 170.277, 179.488, 181.121], ['C', ' CG ', 170.108, 180.165, 179.758], ['C', ' CD1', 168.802, 180.943, 179.702], ['C', ' CD2', 171.287, 181.071, 179.449], ['C', ' H ', 172.35, 180.328, 182.086], ['C', ' HA ', 169.901, 181.204, 182.179]]
[['C', ' N ', 170.464, 178.746, 184.159], ['C', ' CA ', 169.921, 178.046, 185.319], ['C', ' C ', 169.746, 178.994, 186.498], ['C', ' O ', 168.725, 178.949, 187.197], ['C', ' CB ', 170.832, 176.879, 185.697], ['C', ' CG ', 170.298, 176.016, 186.828], ['C', ' CD ', 171.224, 174.845, 187.113], ['C', ' NE ', 170.692, 173.971, 188.155], ['C', ' CZ ', 169.888, 172.939, 187.924], ['C', ' NH1', 169.52, 172.647, 186.684], ['C', ' NH2', 169.452, 172.197, 188.933], ['C', ' H ', 171.246, 178.485, 183.915], ['C', ' HA ', 169.05, 177.686, 185.092]]
[['C', ' N ', 170.735, 179.86, 186.737], ['C', ' CA ', 170.62, 180.826, 187.824], ['C', ' C ', 169.44, 181.762, 187.601], ['C', ' O ', 168.68, 182.048, 188.534], ['C', ' CB ', 171.918, 181.623, 187.955], ['C', ' CG ', 173.137, 180.776, 188.274], ['C', ' CD ', 174.401, 181.603, 188.408], ['C', ' NE2', 175.509, 180.942, 188.721], ['C', ' OE1', 174.381, 182.821, 188.233], ['C', ' H ', 171.468, 179.906, 186.291], ['C', ' HA ', 170.474, 180.351, 188.656]]
[['C', ' N ', 169.268, 182.246, 186.369], ['C', ' CA ', 168.157, 183.142, 186.075], ['C', ' C ', 166.817, 182.449, 186.265], ['C', ' O ', 165.893, 183.037, 186.838], ['C', ' CB ', 168.273, 183.673, 184.646], ['C', ' CG ', 169.53, 184.48, 184.378], ['C', ' SD ', 169.555, 185.19, 182.721], ['C', ' CE ', 171.06, 186.158, 182.793], ['C', ' H ', 169.774, 182.071, 185.696], ['C', ' HA ', 168.205, 183.895, 186.682]]
[['C', ' N ', 166.689, 181.21, 185.787], ['C', ' CA ', 165.454, 180.467, 185.992], ['C', ' C ', 165.158, 180.252, 187.468], ['C', ' O ', 164.018, 180.466, 187.893], ['C', ' CB ', 165.522, 179.122, 185.267], ['C', ' CG ', 165.299, 179.223, 183.791], ['C', ' CD2', 165.945, 179.935, 182.837], ['C', ' ND1', 164.294, 178.538, 183.142], ['C', ' CE1', 164.335, 178.82, 181.852], ['C', ' NE2', 165.327, 179.665, 181.641], ['C', ' H ', 167.294, 180.787, 185.346], ['C', ' HA ', 164.72, 180.974, 185.615]]
[['C', ' N ', 166.153, 179.849, 188.259], ['C', ' CA ', 165.935, 179.671, 189.69], ['C', ' C ', 165.505, 180.977, 190.349], ['C', ' O ', 164.562, 180.998, 191.148], ['C', ' CB ', 167.204, 179.132, 190.351], ['C', ' CG ', 167.756, 177.813, 189.808], ['C', ' CD1', 169.029, 177.422, 190.542], ['C', ' CD2', 166.715, 176.709, 189.91], ['C', ' H ', 166.953, 179.675, 187.994], ['C', ' HA ', 165.226, 179.022, 189.823]]
[['C', ' N ', 166.184, 182.078, 190.019], ['C', ' CA ', 165.873, 183.357, 190.646], ['C', ' C ', 164.463, 183.814, 190.293], ['C', ' O ', 163.708, 184.264, 191.162], ['C', ' CB ', 166.902, 184.406, 190.224], ['C', ' CG ', 168.331, 184.053, 190.604], ['C', ' SD ', 169.535, 185.257, 190.015], ['C', ' CE ', 169.01, 186.722, 190.898], ['C', ' H ', 166.821, 182.108, 189.442], ['C', ' HA ', 165.934, 183.254, 191.608]]
[['C', ' N ', 164.087, 183.703, 189.016], ['C', ' CA ', 162.774, 184.173, 188.595], ['C', ' C ', 161.667, 183.227, 189.041], ['C', ' O ', 160.506, 183.643, 189.134], ['C', ' CB ', 162.737, 184.367, 187.069], ['C', ' CG1', 163.835, 185.34, 186.635], ['C', ' CG2', 161.375, 184.879, 186.633], ['C', ' CD1', 163.792, 185.697, 185.167], ['C', ' H ', 164.566, 183.366, 188.388], ['C', ' HA ', 162.607, 185.035, 189.005]]
[['C', ' N ', 161.99, 181.963, 189.324], ['C', ' CA ', 160.987, 181.052, 189.858], ['C', ' C ', 160.802, 181.242, 191.356], ['C', ' O ', 159.695, 181.045, 191.87], ['C', ' CB ', 161.381, 179.605, 189.554], ['C', ' CG ', 160.218, 178.64, 189.693], ['C', ' OD1', 159.304, 178.912, 190.499], ['C', ' OD2', 160.218, 177.606, 188.992], ['C', ' H ', 162.77, 181.618, 189.218], ['C', ' HA ', 160.137, 181.227, 189.426]]
[['C', ' N ', 161.862, 181.628, 192.069], ['C', ' CA ', 161.734, 181.886, 193.498], ['C', ' C ', 161.093, 183.243, 193.762], ['C', ' O ', 160.3, 183.385, 194.699], ['C', ' CB ', 163.104, 181.801, 194.171], ['C', ' CG ', 163.824, 180.483, 193.934], ['C', ' CD ', 162.997, 179.284, 194.351], ['C', ' NE2', 163.217, 178.155, 193.688], ['C', ' OE1', 162.164, 179.372, 195.253], ['C', ' H ', 162.653, 181.745, 191.752], ['C', ' HA ', 161.163, 181.208, 193.891]]
[['C', ' N ', 161.423, 184.25, 192.95], ['C', ' CA ', 160.803, 185.56, 193.114], ['C', ' C ', 159.332, 185.525, 192.72], ['C', ' O ', 158.488, 186.126, 193.395], ['C', ' CB ', 161.554, 186.602, 192.285], ['C', ' CG ', 163.037, 186.798, 192.609], ['C', ' CD1', 163.662, 187.809, 191.661], ['C', ' CD2', 163.22, 187.231, 194.054], ['C', ' H ', 161.992, 184.2, 192.307], ['C', ' HA ', 160.856, 185.821, 194.046]]
[['C', ' N ', 159.007, 184.827, 191.631], ['C', ' CA ', 157.638, 184.695, 191.152], ['C', ' C ', 157.014, 183.363, 191.555], ['C', ' O ', 156.12, 182.861, 190.865], ['C', ' CB ', 157.596, 184.858, 189.632], ['C', ' CG ', 158.139, 186.187, 189.132], ['C', ' SD ', 157.161, 187.597, 189.685], ['C', ' CE ', 155.576, 187.22, 188.941], ['C', ' H ', 159.58, 184.41, 191.144], ['C', ' HA ', 157.106, 185.409, 191.535]]
[['C', ' N ', 157.471, 182.779, 192.665], ['C', ' CA ', 156.938, 181.49, 193.092], ['C', ' C ', 155.443, 181.574, 193.366], ['C', ' O ', 154.698, 180.629, 193.081], ['C', ' CB ', 157.683, 181.002, 194.335], ['C', ' H ', 158.079, 183.104, 193.178], ['C', ' HA ', 157.077, 180.84, 192.386]]
[['C', ' N ', 154.985, 182.696, 193.916], ['C', ' CA ', 153.576, 182.917, 194.235], ['C', ' C ', 153.118, 184.153, 193.466], ['C', ' O ', 153.146, 185.269, 193.99], ['C', ' CB ', 153.376, 183.081, 195.74], ['C', ' CG ', 153.983, 181.981, 196.553], ['C', ' CD2', 155.195, 181.876, 197.147], ['C', ' ND1', 153.317, 180.807, 196.832], ['C', ' CE1', 154.093, 180.026, 197.563], ['C', ' NE2', 155.238, 180.652, 197.768], ['C', ' H ', 155.487, 183.363, 194.12], ['C', ' HA ', 153.05, 182.159, 193.937]]
[['C', ' N ', 152.697, 183.946, 192.219], ['C', ' CA ', 152.236, 185.039, 191.371], ['C', ' C ', 150.855, 184.736, 190.806], ['C', ' O ', 150.048, 185.647, 190.599], ['C', ' CB ', 153.231, 185.289, 190.236], ['C', ' OG ', 153.381, 184.136, 189.427], ['C', ' H ', 152.669, 183.175, 191.84], ['C', ' HA ', 152.172, 185.85, 191.898]]
[['C', ' N ', 150.576, 183.46, 190.552], ['C', ' CA ', 149.329, 182.954, 189.986], ['C', ' C ', 149.233, 183.223, 188.488], ['C', ' O ', 148.259, 182.784, 187.862], ['C', ' CB ', 148.084, 183.536, 190.675], ['C', ' CG ', 147.906, 183.078, 192.089], ['C', ' CD2', 147.016, 183.448, 193.04], ['C', ' ND1', 148.708, 182.119, 192.668], ['C', ' CE1', 148.32, 181.918, 193.915], ['C', ' NE2', 147.295, 182.712, 194.165]]
[['C', ' N ', 150.195, 183.923, 187.891], ['C', ' CA ', 150.461, 184.335, 186.519], ['C', ' C ', 151.274, 183.266, 185.802], ['C', ' O ', 152.195, 182.678, 186.375], ['C', ' CB ', 151.207, 185.67, 186.491], ['C', ' CG ', 150.345, 186.924, 186.66], ['C', ' CD1', 149.527, 186.858, 187.94], ['C', ' CD2', 151.204, 188.179, 186.636], ['C', ' H ', 149.633, 183.681, 187.289], ['C', ' HA ', 149.625, 184.453, 186.039]]
[['C', ' N ', 150.922, 183.017, 184.54], ['C', ' CA ', 151.564, 181.974, 183.741], ['C', ' C ', 152.901, 182.503, 183.229], ['C', ' O ', 153.055, 182.906, 182.073], ['C', ' CB ', 150.654, 181.541, 182.599], ['C', ' CG ', 149.293, 181.041, 183.054], ['C', ' CD ', 148.399, 180.708, 181.872], ['C', ' NE ', 147.079, 180.253, 182.299], ['C', ' CZ ', 146.053, 181.062, 182.542], ['C', ' NH1', 146.192, 182.373, 182.401], ['C', ' NH2', 144.887, 180.56, 182.927], ['C', ' H ', 150.306, 183.444, 184.119], ['C', ' HA ', 151.737, 181.202, 184.301]]
[['C', ' N ', 153.893, 182.492, 184.118], ['C', ' CA ', 155.228, 182.97, 183.791], ['C', ' C ', 156.161, 181.866, 183.31], ['C', ' O ', 157.315, 182.156, 182.98], ['C', ' CB ', 155.853, 183.665, 185.006], ['C', ' CG ', 156.031, 182.761, 186.205], ['C', ' CD1', 155.024, 182.623, 187.15], ['C', ' CD2', 157.207, 182.047, 186.393], ['C', ' CE1', 155.181, 181.798, 188.246], ['C', ' CE2', 157.374, 181.22, 187.487], ['C', ' CZ ', 156.357, 181.1, 188.411], ['C', ' OH ', 156.517, 180.278, 189.503]]
[['C', ' N ', 155.698, 180.619, 183.262], ['C', ' CA ', 156.54, 179.49, 182.903], ['C', ' C ', 155.774, 178.524, 182.011], ['C', ' O ', 154.546, 178.425, 182.074], ['C', ' CB ', 157.043, 178.752, 184.152], ['C', ' CG ', 155.934, 178.23, 185.051], ['C', ' CD ', 156.497, 177.605, 186.317], ['C', ' CE ', 157.427, 176.446, 185.997], ['C', ' NZ ', 157.994, 175.833, 187.23]]
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[['C', ' N ', 161.969, 179.77, 176.15], ['C', ' CA ', 163.373, 179.513, 176.469], ['C', ' C ', 163.914, 178.22, 175.873], ['C', ' O ', 165.026, 177.81, 176.238], ['C', ' CB ', 163.613, 179.489, 177.982], ['C', ' OG ', 164.971, 179.213, 178.28]]
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[['C', ' N ', 163.872, 177.462, 172.266], ['C', ' CA ', 163.851, 177.597, 170.813], ['C', ' C ', 165.245, 177.488, 170.203], ['C', ' O ', 165.491, 176.623, 169.358], ['C', ' CB ', 163.204, 178.93, 170.413], ['C', ' CG ', 161.692, 179.052, 170.6], ['C', ' CD1', 161.324, 179.141, 172.074], ['C', ' CD2', 161.17, 180.254, 169.834]]
[['C', ' N ', 166.166, 178.354, 170.619], ['C', ' CA ', 167.514, 178.41, 170.057], ['C', ' C ', 168.519, 178.267, 171.194], ['C', ' O ', 168.818, 179.238, 171.896], ['C', ' CB ', 167.734, 179.708, 169.286], ['C', ' CG ', 169.104, 179.815, 168.637], ['C', ' CD ', 169.28, 181.101, 167.854], ['C', ' NE2', 170.434, 181.25, 167.213], ['C', ' OE1', 168.39, 181.95, 167.824]]
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[['C', ' N ', 171.813, 175.152, 172.725], ['C', ' CA ', 172.676, 174.03, 172.39], ['C', ' C ', 171.887, 172.73, 172.538], ['C', ' O ', 170.655, 172.725, 172.614], ['C', ' CB ', 173.932, 174.053, 173.257], ['C', ' CG ', 174.744, 175.321, 173.071], ['C', ' ND2', 176.023, 175.263, 173.423], ['C', ' OD1', 174.227, 176.341, 172.614]]
[['C', ' N ', 172.595, 171.602, 172.577], ['C', ' CA ', 171.971, 170.288, 172.698], ['C', ' C ', 171.356, 170.135, 174.084], ['C', ' O ', 170.769, 169.094, 174.403], ['C', ' CB ', 172.989, 169.167, 172.419], ['C', ' CG1', 172.295, 167.814, 172.364], ['C', ' CG2', 173.742, 169.443, 171.127]]
[['C', ' N ', 171.491, 171.169, 174.914], ['C', ' CA ', 171.012, 171.19, 176.292], ['C', ' C ', 169.633, 170.558, 176.436], ['C', ' O ', 168.677, 170.997, 175.785], ['C', ' CB ', 170.949, 172.626, 176.816], ['C', ' CG ', 172.235, 173.381, 176.682], ['C', ' CD1', 173.451, 172.732, 176.786], ['C', ' CD2', 172.225, 174.746, 176.451], ['C', ' CE1', 174.633, 173.429, 176.664], ['C', ' CE2', 173.405, 175.449, 176.327], ['C', ' CZ ', 174.61, 174.79, 176.433]]
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[['C', ' N ', 167.027, 173.142, 184.247], ['C', ' CA ', 166.244, 173.725, 185.327], ['C', ' C ', 164.758, 173.592, 185.057], ['C', ' O ', 164.349, 173.083, 184.002], ['C', ' CB ', 166.684, 175.195, 185.315], ['C', ' CG ', 167.159, 175.446, 183.884], ['C', ' CD ', 167.256, 174.116, 183.168]]
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[['C', ' N ', 159.1, 180.905, 181.124], ['C', ' CA ', 159.049, 181.935, 180.087], ['C', ' C ', 160.196, 182.913, 180.303], ['C', ' O ', 160.123, 183.798, 181.158], ['C', ' CB ', 157.704, 182.652, 180.117], ['C', ' CG ', 156.455, 181.778, 179.998], ['C', ' CD1', 155.201, 182.635, 180.032], ['C', ' CD2', 156.501, 180.942, 178.731]]
[['C', ' N ', 161.264, 182.764, 179.516], ['C', ' CA ', 162.423, 183.649, 179.632], ['C', ' C ', 163.13, 183.66, 178.277], ['C', ' O ', 163.837, 182.706, 177.94], ['C', ' CB ', 163.353, 183.192, 180.744], ['C', ' CG ', 164.518, 184.138, 180.955], ['C', ' OD1', 164.289, 185.27, 181.431], ['C', ' OD2', 165.665, 183.75, 180.646], ['C', ' H ', 161.343, 182.16, 178.909], ['C', ' HA ', 162.124, 184.55, 179.831]]
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[['C', ' N ', 167.163, 188.864, 174.757], ['C', ' CA ', 167.404, 189.633, 173.542], ['C', ' C ', 168.718, 190.379, 173.717], ['C', ' O ', 168.843, 191.227, 174.61], ['C', ' CB ', 166.255, 190.61, 173.245], ['C', ' CG1', 166.547, 191.401, 171.981], ['C', ' CG2', 164.94, 189.857, 173.117], ['C', ' H ', 167.128, 189.351, 175.465], ['C', ' HA ', 167.493, 189.03, 172.788]]
[['C', ' N ', 169.694, 190.067, 172.869], ['C', ' CA ', 171.004, 190.689, 172.964], ['C', ' C ', 170.917, 192.166, 172.581], ['C', ' O ', 169.858, 192.686, 172.216], ['C', ' CB ', 172.003, 189.953, 172.074], ['C', ' CG ', 171.623, 190.002, 170.609], ['C', ' ND2', 172.123, 191.007, 169.9], ['C', ' OD1', 170.889, 189.144, 170.118], ['C', ' H ', 169.62, 189.496, 172.23], ['C', ' HA ', 171.317, 190.632, 173.88]]
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[['C', ' N ', 192.794, 185.483, 153.706], ['C', ' CA ', 191.659, 185.743, 152.814], ['C', ' C ', 190.325, 185.767, 153.554], ['C', ' O ', 189.871, 186.832, 153.972], ['C', ' CB ', 191.715, 184.572, 151.829], ['C', ' CG ', 192.375, 183.478, 152.593], ['C', ' CD ', 193.385, 184.154, 153.476]]
[['C', ' N ', 189.707, 184.595, 153.713], ['C', ' CA ', 188.431, 184.515, 154.414], ['C', ' C ', 188.606, 184.515, 155.926], ['C', ' O ', 187.709, 184.962, 156.649], ['C', ' CB ', 187.666, 183.265, 153.976], ['C', ' CG ', 187.261, 183.196, 152.502], ['C', ' CD1', 186.516, 181.902, 152.212], ['C', ' CD2', 186.416, 184.402, 152.122]]
[['C', ' N ', 189.744, 184.021, 156.421], ['C', ' CA ', 189.964, 183.979, 157.862], ['C', ' C ', 189.988, 185.38, 158.46], ['C', ' O ', 189.494, 185.597, 159.573], ['C', ' CB ', 191.266, 183.241, 158.172], ['C', ' CG ', 191.662, 183.296, 159.619], ['C', ' CD1', 191.041, 182.485, 160.552], ['C', ' CD2', 192.659, 184.157, 160.046], ['C', ' CE1', 191.403, 182.531, 161.883], ['C', ' CE2', 193.025, 184.208, 161.376], ['C', ' CZ ', 192.396, 183.393, 162.295]]
[['C', ' N ', 190.56, 186.346, 157.738], ['C', ' CA ', 190.625, 187.708, 158.254], ['C', ' C ', 189.236, 188.306, 158.44], ['C', ' O ', 189.039, 189.156, 159.316], ['C', ' CB ', 191.459, 188.585, 157.32], ['C', ' OG ', 192.78, 188.085, 157.198]]
[['C', ' N ', 188.267, 187.879, 157.634], ['C', ' CA ', 186.903, 188.403, 157.713], ['C', ' C ', 186.032, 187.503, 158.593], ['C', ' O ', 185.009, 186.964, 158.173], ['C', ' CB ', 186.312, 188.554, 156.316], ['C', ' CG ', 186.918, 189.624, 155.403], ['C', ' CD1', 188.349, 189.278, 155.014], ['C', ' CD2', 186.056, 189.82, 154.164]]
[['C', ' N ', 186.463, 187.35, 159.844], ['C', ' CA ', 185.73, 186.563, 160.825], ['C', ' C ', 185.165, 187.482, 161.895], ['C', ' O ', 185.939, 188.122, 162.623], ['C', ' CB ', 186.631, 185.503, 161.456], ['C', ' CG ', 187.027, 184.325, 160.565], ['C', ' CD1', 187.928, 183.362, 161.322], ['C', ' CD2', 185.791, 183.609, 160.049]]
[['C', ' N ', 183.844, 187.584, 162.03], ['C', ' CA ', 183.279, 188.447, 163.072], ['C', ' C ', 183.677, 187.969, 164.46], ['C', ' O ', 183.937, 186.785, 164.685], ['C', ' CB ', 181.766, 188.328, 162.852], ['C', ' CG ', 181.617, 187.859, 161.439], ['C', ' CD ', 182.802, 186.979, 161.185]]
[['C', ' N ', 183.723, 188.912, 165.397], ['C', ' CA ', 184.06, 188.571, 166.764], ['C', ' C ', 183.066, 187.603, 167.375], ['C', ' O ', 181.93, 187.455, 166.922]]
[['C', ' N ', 183.515, 186.927, 168.431], ['C', ' CA ', 182.674, 185.958, 169.122], ['C', ' C ', 181.604, 186.663, 169.944], ['C', ' O ', 181.853, 187.064, 171.086], ['C', ' CB ', 183.522, 185.05, 170.015], ['C', ' CG ', 182.714, 184.057, 170.819], ['C', ' CD1', 182.232, 182.892, 170.238], ['C', ' CD2', 182.434, 184.283, 172.159], ['C', ' CE1', 181.495, 181.981, 170.969], ['C', ' CE2', 181.698, 183.377, 172.898], ['C', ' CZ ', 181.23, 182.228, 172.298], ['C', ' OH ', 180.496, 181.324, 173.03]]
[['C', ' N ', 180.41, 186.822, 169.369], ['C', ' CA ', 179.327, 187.48, 170.09], ['C', ' C ', 178.959, 186.712, 171.353], ['C', ' O ', 178.588, 187.312, 172.368], ['C', ' CB ', 178.107, 187.632, 169.183], ['C', ' CG ', 178.387, 188.349, 167.874], ['C', ' CD ', 177.119, 188.494, 167.048], ['C', ' NE ', 176.456, 187.211, 166.837], ['C', ' CZ ', 176.72, 186.39, 165.826], ['C', ' NH1', 177.639, 186.716, 164.927], ['C', ' NH2', 176.066, 185.241, 165.714]]
[['C', ' N ', 179.054, 185.384, 171.31], ['C', ' CA ', 178.676, 184.552, 172.43], ['C', ' C ', 177.191, 184.325, 172.586], ['C', ' O ', 176.791, 183.507, 173.425]]
[['C', ' N ', 176.362, 185.011, 171.813], ['C', ' CA ', 174.915, 184.895, 171.866], ['C', ' C ', 174.365, 184.76, 170.457], ['C', ' O ', 175.025, 185.139, 169.484], ['C', ' CB ', 174.287, 186.116, 172.553], ['C', ' CG ', 174.704, 187.424, 171.956], ['C', ' CD2', 174.331, 188.039, 170.809], ['C', ' ND1', 175.623, 188.257, 172.556], ['C', ' CE1', 175.796, 189.331, 171.807], ['C', ' NE2', 175.024, 189.224, 170.741]]
[['C', ' N ', 173.157, 184.218, 170.313], ['C', ' CA ', 172.552, 184.123, 168.981], ['C', ' C ', 172.417, 185.496, 168.341], ['C', ' O ', 172.389, 186.524, 169.02], ['C', ' CB ', 171.181, 183.495, 169.256], ['C', ' CG ', 171.352, 182.772, 170.552], ['C', ' CD ', 172.316, 183.6, 171.35]]
[['C', ' N ', 172.335, 185.502, 167.013], ['C', ' CA ', 172.212, 186.754, 166.282], ['C', ' C ', 170.959, 187.505, 166.716], ['C', ' O ', 169.937, 186.909, 167.065], ['C', ' CB ', 172.17, 186.49, 164.777], ['C', ' OG ', 171.063, 185.676, 164.433], ['C', ' H ', 172.348, 184.799, 166.517], ['C', ' HA ', 172.982, 187.312, 166.472]]
[['C', ' N ', 171.051, 188.837, 166.696], ['C', ' CA ', 169.911, 189.664, 167.078], ['C', ' C ', 168.694, 189.348, 166.219], ['C', ' O ', 167.57, 189.254, 166.726], ['C', ' CB ', 170.286, 191.144, 166.96], ['C', ' CG ', 169.258, 192.093, 167.522], ['C', ' CD1', 168.281, 191.659, 168.405], ['C', ' CD2', 169.273, 193.43, 167.16], ['C', ' CE1', 167.347, 192.539, 168.915], ['C', ' CE2', 168.339, 194.312, 167.666], ['C', ' CZ ', 167.375, 193.866, 168.543], ['C', ' H ', 171.752, 189.278, 166.468], ['C', ' HA ', 169.691, 189.47, 168.001], ['C', ' HB2', 171.117, 191.292, 167.438], ['C', ' HB3', 170.405, 191.359, 166.022], ['C', ' HD1', 168.254, 190.766, 168.662], ['C', ' HD2', 169.921, 193.737, 166.568], ['C', ' HE1', 166.696, 192.237, 169.506], ['C', ' HE2', 168.361, 195.207, 167.414], ['C', ' HZ ', 166.745, 194.458, 168.885]]
[['C', ' N ', 168.901, 189.17, 164.912], ['C', ' CA ', 167.789, 188.853, 164.022], ['C', ' C ', 167.16, 187.513, 164.381], ['C', ' O ', 165.93, 187.39, 164.421], ['C', ' CB ', 168.264, 188.847, 162.568], ['C', ' CG ', 168.571, 190.223, 161.99], ['C', ' CD ', 169.797, 190.866, 162.608], ['C', ' NE2', 170.074, 192.106, 162.222], ['C', ' OE1', 170.488, 190.255, 163.423], ['C', ' H ', 169.666, 189.224, 164.525], ['C', ' HA ', 167.108, 189.538, 164.113]]
[['C', ' N ', 167.986, 186.497, 164.64], ['C', ' CA ', 167.463, 185.186, 165.003], ['C', ' C ', 166.662, 185.225, 166.296], ['C', ' O ', 165.579, 184.633, 166.356], ['C', ' CB ', 168.609, 184.183, 165.134], ['C', ' OG ', 169.54, 184.601, 166.117], ['C', ' H ', 168.845, 186.543, 164.613], ['C', ' HA ', 166.875, 184.877, 164.297]]
[['C', ' N ', 167.167, 185.901, 167.327], ['C', ' CA ', 166.431, 186.035, 168.577], ['C', ' C ', 165.137, 186.814, 168.405], ['C', ' O ', 164.108, 186.422, 168.968], ['C', ' CB ', 167.302, 186.721, 169.632], ['C', ' CG ', 168.595, 186.005, 170.029], ['C', ' CD1', 169.359, 186.813, 171.065], ['C', ' CD2', 168.298, 184.608, 170.55], ['C', ' H ', 167.933, 186.29, 167.326], ['C', ' HA ', 166.204, 185.151, 168.903]]
[['C', ' N ', 165.159, 187.902, 167.634], ['C', ' CA ', 163.932, 188.647, 167.375], ['C', ' C ', 162.909, 187.765, 166.674], ['C', ' O ', 161.724, 187.775, 167.023], ['C', ' CB ', 164.241, 189.911, 166.555], ['C', ' CG1', 162.953, 190.63, 166.19], ['C', ' CG2', 165.164, 190.831, 167.332], ['C', ' H ', 165.861, 188.225, 167.257], ['C', ' HA ', 163.552, 188.928, 168.222]]
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[['C', ' N ', 151.686, 182.467, 171.262], ['C', ' CA ', 151.279, 182.421, 172.66], ['C', ' C ', 149.816, 182.016, 172.78], ['C', ' O ', 148.985, 182.363, 171.936], ['C', ' CB ', 151.504, 183.778, 173.327], ['C', ' CG ', 152.966, 184.14, 173.526], ['C', ' SD ', 153.842, 182.949, 174.558], ['C', ' CE ', 152.884, 183.04, 176.068]]
[['C', ' N ', 149.505, 181.272, 173.839], ['C', ' CA ', 148.134, 180.843, 174.072], ['C', ' C ', 147.215, 182.05, 174.21], ['C', ' O ', 147.535, 183.021, 174.901], ['C', ' CB ', 148.055, 179.971, 175.325]]
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[['C', ' N ', 143.88, 182.477, 175.622], ['C', ' CA ', 142.69, 182.034, 176.355], ['C', ' C ', 141.563, 183.049, 176.245], ['C', ' O ', 141.774, 184.234, 175.98], ['C', ' CB ', 143.188, 181.905, 177.799], ['C', ' CG ', 144.358, 182.829, 177.873], ['C', ' CD ', 145.009, 182.767, 176.522]]
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[['C', ' N ', 133.332, 186.3, 177.884], ['C', ' CA ', 132.806, 186.138, 176.536], ['C', ' C ', 133.968, 186.085, 175.553], ['C', ' O ', 135.14, 186.165, 175.934], ['C', ' CB ', 131.834, 187.268, 176.173], ['C', ' CG2', 130.611, 187.236, 177.078], ['C', ' OG1', 132.494, 188.532, 176.31]]
[['C', ' N ', 133.632, 185.949, 174.268], ['C', ' CA ', 134.661, 185.919, 173.235], ['C', ' C ', 135.355, 187.271, 173.136], ['C', ' O ', 136.581, 187.346, 172.986], ['C', ' CB ', 134.054, 185.491, 171.887], ['C', ' CG1', 135.135, 185.444, 170.807], ['C', ' CG2', 132.93, 186.435, 171.485], ['C', ' CD1', 136.264, 184.487, 171.118]]
[['C', ' N ', 134.59, 188.357, 173.22], ['C', ' CA ', 135.133, 189.713, 173.203], ['C', ' C ', 135.994, 189.94, 171.957], ['C', ' O ', 137.207, 190.145, 172.02], ['C', ' CB ', 135.917, 189.994, 174.488], ['C', ' CG ', 135.073, 190.024, 175.765], ['C', ' CD1', 135.933, 190.327, 176.981], ['C', ' CD2', 133.946, 191.038, 175.635]]
[['C', ' N ', 135.317, 189.889, 170.811], ['C', ' CA ', 135.96, 190.11, 169.521], ['C', ' C ', 136.695, 191.444, 169.507], ['C', ' O ', 136.48, 192.285, 170.385], ['C', ' CB ', 134.928, 190.065, 168.392], ['C', ' CG2', 134.247, 188.705, 168.346], ['C', ' OG1', 133.94, 191.081, 168.604], ['C', ' H ', 134.474, 189.727, 170.756], ['C', ' HA ', 136.608, 189.406, 169.367]]
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[['C', ' N ', 136.276, 194.106, 168.262], ['C', ' CA ', 135.397, 195.234, 168.547], ['C', ' C ', 134.913, 195.2, 169.992], ['C', ' O ', 134.959, 196.215, 170.695], ['C', ' CB ', 134.208, 195.232, 167.584], ['C', ' CG ', 134.565, 195.581, 166.148], ['C', ' CD ', 135.046, 197.019, 166.032], ['C', ' CE ', 135.344, 197.388, 164.588], ['C', ' NZ ', 134.138, 197.269, 163.724], ['C', ' H ', 135.911, 193.472, 167.811], ['C', ' HA ', 135.89, 196.059, 168.419]]
[['C', ' N ', 134.446, 194.037, 170.452], ['C', ' CA ', 134.012, 193.916, 171.839], ['C', ' C ', 135.177, 194.089, 172.803], ['C', ' O ', 134.983, 194.548, 173.935], ['C', ' CB ', 133.338, 192.562, 172.062], ['C', ' CG ', 132.115, 192.369, 171.188], ['C', ' ND2', 131.259, 191.428, 171.568], ['C', ' OD1', 131.942, 193.058, 170.182], ['C', ' H ', 134.372, 193.316, 169.989], ['C', ' HA ', 133.361, 194.609, 172.028]]
[['C', ' N ', 136.389, 193.728, 172.378], ['C', ' CA ', 137.557, 193.896, 173.236], ['C', ' C ', 137.752, 195.36, 173.608], ['C', ' O ', 137.943, 195.695, 174.783], ['C', ' CB ', 138.8, 193.347, 172.537], ['C', ' CG ', 140.069, 193.613, 173.283], ['C', ' CD1', 140.644, 192.819, 174.229], ['C', ' CD2', 140.922, 194.755, 173.143], ['C', ' CE2', 141.996, 194.585, 174.037], ['C', ' CE3', 140.882, 195.905, 172.349], ['C', ' NE1', 141.803, 193.395, 174.689], ['C', ' CZ2', 143.021, 195.52, 174.159], ['C', ' CZ3', 141.9, 196.832, 172.472], ['C', ' CH2', 142.955, 196.634, 173.37], ['C', ' H ', 136.558, 193.39, 171.606], ['C', ' HA ', 137.424, 193.393, 174.054], ['C', ' HB2', 138.707, 192.387, 172.441], ['C', ' HB3', 138.876, 193.761, 171.663], ['C', ' HD1', 140.302, 192.006, 174.521], ['C', ' HE1', 142.324, 193.063, 175.287], ['C', ' HE3', 140.184, 196.043, 171.75], ['C', ' HZ2', 143.723, 195.391, 174.755], ['C', ' HZ3', 141.884, 197.601, 171.949], ['C', ' HH2', 143.625, 197.275, 173.431]]
[['C', ' N ', 137.71, 196.25, 172.614], ['C', ' CA ', 137.853, 197.673, 172.901], ['C', ' C ', 136.752, 198.16, 173.831], ['C', ' O ', 136.983, 199.054, 174.653], ['C', ' CB ', 137.845, 198.474, 171.6], ['C', ' CG ', 138.342, 199.881, 171.754], ['C', ' CD1', 139.685, 200.175, 171.595], ['C', ' CD2', 137.467, 200.91, 172.06], ['C', ' CE1', 140.148, 201.468, 171.737], ['C', ' CE2', 137.924, 202.206, 172.203], ['C', ' CZ ', 139.266, 202.484, 172.041], ['C', ' H ', 137.601, 196.059, 171.783], ['C', ' HA ', 138.705, 197.822, 173.339]]
[['C', ' N ', 135.554, 197.588, 173.719], ['C', ' CA ', 134.475, 197.874, 174.654], ['C', ' C ', 134.665, 197.168, 175.989], ['C', ' O ', 133.96, 197.493, 176.951], ['C', ' CB ', 133.131, 197.469, 174.044], ['C', ' CG ', 132.802, 198.189, 172.773], ['C', ' CD2', 133.405, 199.234, 172.159], ['C', ' ND1', 131.728, 197.846, 171.98], ['C', ' CE1', 131.685, 198.648, 170.931], ['C', ' NE2', 132.691, 199.499, 171.016], ['C', ' H ', 135.342, 197.027, 173.103], ['C', ' HA ', 134.451, 198.828, 174.824]]
[['C', ' N ', 135.594, 196.217, 176.068], ['C', ' CA ', 135.931, 195.539, 177.311], ['C', ' C ', 137.182, 196.088, 177.975], ['C', ' O ', 137.304, 196.004, 179.198], ['C', ' CB ', 136.115, 194.036, 177.064], ['C', ' CG ', 136.661, 193.276, 178.251], ['C', ' CD1', 135.844, 192.94, 179.321], ['C', ' CD2', 137.994, 192.888, 178.297], ['C', ' CE1', 136.339, 192.244, 180.407], ['C', ' CE2', 138.497, 192.191, 179.378], ['C', ' CZ ', 137.666, 191.871, 180.43], ['C', ' OH ', 138.165, 191.178, 181.509]]
[['C', ' N ', 138.11, 196.649, 177.199], ['C', ' CA ', 139.286, 197.296, 177.762], ['C', ' C ', 139.01, 198.724, 178.208], ['C', ' O ', 139.745, 199.244, 179.054], ['C', ' CB ', 140.427, 197.292, 176.742], ['C', ' H ', 138.077, 196.667, 176.34], ['C', ' HA ', 139.578, 196.794, 178.538]]
[['C', ' N ', 137.973, 199.366, 177.666], ['C', ' CA ', 137.617, 200.709, 178.107], ['C', ' C ', 136.902, 200.676, 179.451], ['C', ' O ', 137.16, 201.521, 180.315], ['C', ' CB ', 136.743, 201.392, 177.056], ['C', ' H ', 137.467, 199.047, 177.048], ['C', ' HA ', 138.426, 201.232, 178.21]]
[['C', ' N ', 136.003, 199.708, 179.646], ['C', ' CA ', 135.332, 199.579, 180.935], ['C', ' C ', 136.324, 199.215, 182.031], ['C', ' O ', 136.209, 199.69, 183.167], ['C', ' CB ', 134.223, 198.531, 180.847], ['C', ' CG ', 133.174, 198.824, 179.787], ['C', ' CD ', 132.041, 197.811, 179.833], ['C', ' NE ', 132.519, 196.441, 179.666], ['C', ' CZ ', 132.82, 195.627, 180.672], ['C', ' NH1', 133.248, 194.397, 180.427], ['C', ' NH2', 132.694, 196.043, 181.925], ['C', ' H ', 135.771, 199.125, 179.059], ['C', ' HA ', 134.926, 200.428, 181.167]]
[['C', ' N ', 137.309, 198.373, 181.708], ['C', ' CA ', 138.333, 198.026, 182.688], ['C', ' C ', 139.141, 199.259, 183.065], ['C', ' O ', 139.531, 199.434, 184.226], ['C', ' CB ', 139.237, 196.905, 182.145], ['C', ' CG1', 138.452, 195.6, 182.016], ['C', ' CG2', 140.448, 196.717, 183.045], ['C', ' CD1', 139.305, 194.421, 181.61], ['C', ' H ', 137.404, 197.998, 180.941], ['C', ' HA ', 137.9, 197.696, 183.491]]
[['C', ' N ', 139.404, 200.135, 182.094], ['C', ' CA ', 140.145, 201.355, 182.39], ['C', ' C ', 139.376, 202.24, 183.361], ['C', ' O ', 139.949, 202.764, 184.324], ['C', ' CB ', 140.447, 202.112, 181.098], ['C', ' CG ', 141.28, 203.334, 181.311], ['C', ' CD1', 140.848, 204.628, 181.34], ['C', ' CD2', 142.694, 203.378, 181.536], ['C', ' CE2', 143.05, 204.732, 181.689], ['C', ' CE3', 143.692, 202.404, 181.622], ['C', ' NE1', 141.906, 205.475, 181.564], ['C', ' CZ2', 144.362, 205.136, 181.922], ['C', ' CZ3', 144.994, 202.807, 181.853], ['C', ' CH2', 145.317, 204.16, 182.0], ['C', ' H ', 139.168, 200.047, 181.272], ['C', ' HA ', 140.99, 201.119, 182.803]]
[['C', ' N ', 138.074, 202.416, 183.128], ['C', ' CA ', 137.268, 203.234, 184.029], ['C', ' C ', 137.155, 202.589, 185.404], ['C', ' O ', 137.149, 203.287, 186.424], ['C', ' CB ', 135.881, 203.463, 183.429], ['C', ' CG ', 135.935, 204.162, 182.085], ['C', ' OD1', 136.884, 204.941, 181.857], ['C', ' OD2', 135.029, 203.933, 181.258], ['C', ' H ', 137.641, 202.078, 182.466], ['C', ' HA ', 137.695, 204.098, 184.137]]
[['C', ' N ', 137.065, 201.258, 185.452], ['C', ' CA ', 136.963, 200.567, 186.724], ['C', ' C ', 138.247, 200.554, 187.524], ['C', ' O ', 138.196, 200.483, 188.756], ['C', ' H ', 137.062, 200.742, 184.764]]
[['C', ' N ', 139.396, 200.621, 186.855], ['C', ' CA ', 140.671, 200.638, 187.562], ['C', ' C ', 141.093, 202.056, 187.937], ['C', ' O ', 141.651, 202.266, 189.019], ['C', ' CB ', 141.757, 199.947, 186.721], ['C', ' CG1', 141.956, 200.681, 185.404], ['C', ' CG2', 143.061, 199.871, 187.498]]
[['C', ' N ', 140.836, 203.039, 187.07], ['C', ' CA ', 141.185, 204.416, 187.397], ['C', ' C ', 140.366, 204.938, 188.57], ['C', ' O ', 140.803, 205.86, 189.268], ['C', ' CB ', 140.991, 205.311, 186.173], ['C', ' CG ', 141.286, 206.78, 186.421], ['C', ' CD ', 141.106, 207.6, 185.154], ['C', ' NE ', 141.358, 209.02, 185.38], ['C', ' CZ ', 142.556, 209.588, 185.295], ['C', ' NH1', 143.618, 208.857, 184.989], ['C', ' NH2', 142.693, 210.888, 185.517]]
[['C', ' N ', 139.188, 204.366, 188.802], ['C', ' CA ', 138.319, 204.737, 189.911], ['C', ' C ', 137.965, 203.515, 190.749], ['C', ' O ', 136.827, 203.351, 191.196], ['C', ' CB ', 137.056, 205.429, 189.403], ['C', ' CG ', 137.323, 206.682, 188.585], ['C', ' CD ', 136.028, 207.295, 188.078], ['C', ' CE ', 135.264, 206.32, 187.198], ['C', ' NZ ', 136.06, 205.902, 186.01]]
[['C', ' N ', 138.941, 202.641, 190.969], ['C', ' CA ', 138.728, 201.42, 191.729], ['C', ' C ', 138.979, 201.659, 193.216], ['C', ' O ', 139.541, 202.676, 193.628], ['C', ' CB ', 139.634, 200.303, 191.211], ['C', ' OG ', 139.436, 199.106, 191.943]]
[['C', ' N ', 138.549, 200.692, 194.029], ['C', ' CA ', 138.778, 200.771, 195.466], ['C', ' C ', 140.153, 200.242, 195.85], ['C', ' O ', 140.731, 200.695, 196.844], ['C', ' CB ', 137.693, 199.995, 196.214], ['C', ' OG ', 137.692, 198.629, 195.838], ['C', ' H ', 138.127, 199.988, 193.773], ['C', ' HA ', 138.726, 201.699, 195.743]]
[['C', ' N ', 140.691, 199.295, 195.079], ['C', ' CA ', 142.015, 198.76, 195.377], ['C', ' C ', 143.065, 199.864, 195.361], ['C', ' O ', 143.859, 199.998, 196.299], ['C', ' CB ', 142.373, 197.661, 194.377], ['C', ' H ', 140.314, 198.95, 194.387], ['C', ' HA ', 142.005, 198.369, 196.265]]
[['C', ' N ', 143.081, 200.673, 194.299], ['C', ' CA ', 144.042, 201.768, 194.224], ['C', ' C ', 143.717, 202.857, 195.238], ['C', ' O ', 144.623, 203.416, 195.868], ['C', ' CB ', 144.071, 202.345, 192.81], ['C', ' CG ', 144.533, 201.398, 191.7], ['C', ' CD1', 144.544, 202.121, 190.366], ['C', ' CD2', 145.908, 200.826, 192.005], ['C', ' H ', 142.555, 200.608, 193.621], ['C', ' HA ', 144.925, 201.426, 194.432], ['C', ' HB2', 143.175, 202.637, 192.584], ['C', ' HB3', 144.668, 203.109, 192.805], ['C', ' HG ', 143.909, 200.659, 191.636], ['C', 'HD11', 144.677, 201.473, 189.656], ['C', 'HD12', 143.695, 202.574, 190.247], ['C', 'HD13', 145.266, 202.768, 190.366], ['C', 'HD21', 146.237, 200.362, 191.219], ['C', 'HD22', 146.508, 201.552, 192.236], ['C', 'HD23', 145.835, 200.207, 192.748]]
[['C', ' N ', 142.431, 203.177, 195.407], ['C', ' CA ', 142.048, 204.184, 196.39], ['C', ' C ', 142.543, 203.82, 197.782], ['C', ' O ', 142.878, 204.708, 198.575], ['C', ' CB ', 140.529, 204.36, 196.396], ['C', ' H ', 141.776, 202.83, 194.973], ['C', ' HA ', 142.447, 205.033, 196.143]]
[['C', ' N ', 142.597, 202.525, 198.097], ['C', ' CA ', 143.125, 202.088, 199.384], ['C', ' C ', 144.645, 202.002, 199.375], ['C', ' O ', 145.282, 202.261, 200.402], ['C', ' CB ', 142.528, 200.731, 199.758], ['C', ' CG ', 143.144, 200.103, 200.994], ['C', ' CD ', 142.584, 198.726, 201.283], ['C', ' OE1', 141.521, 198.384, 200.723], ['C', ' OE2', 143.21, 197.982, 202.065], ['C', ' H ', 142.337, 201.885, 197.584], ['C', ' HA ', 142.865, 202.727, 200.065]]
[['C', ' N ', 145.239, 201.645, 198.234], ['C', ' CA ', 146.692, 201.552, 198.155], ['C', ' C ', 147.342, 202.929, 198.19], ['C', ' O ', 148.447, 203.077, 198.724], ['C', ' CB ', 147.097, 200.807, 196.883], ['C', ' CG ', 148.565, 200.456, 196.815], ['C', ' CD1', 149.036, 199.257, 197.331], ['C', ' CD2', 149.48, 201.321, 196.23], ['C', ' CE1', 150.377, 198.93, 197.27], ['C', ' CE2', 150.823, 201.003, 196.164], ['C', ' CZ ', 151.266, 199.806, 196.686], ['C', ' OH ', 152.602, 199.484, 196.623], ['C', ' H ', 144.828, 201.454, 197.504], ['C', ' HA ', 147.019, 201.047, 198.915], ['C', ' HB2', 146.592, 199.98, 196.833], ['C', ' HB3', 146.89, 201.364, 196.117], ['C', ' HD1', 148.439, 198.664, 197.726], ['C', ' HD2', 149.184, 202.129, 195.878], ['C', ' HE1', 150.677, 198.123, 197.621], ['C', ' HE2', 151.425, 201.593, 195.771], ['C', ' HH ', 152.731, 198.727, 196.963]]
[['C', ' N ', 146.678, 203.942, 197.629], ['C', ' CA ', 147.233, 205.291, 197.657], ['C', ' C ', 147.369, 205.807, 199.083], ['C', ' O ', 148.299, 206.564, 199.383], ['C', ' CB ', 146.358, 206.235, 196.833], ['C', ' OG ', 145.035, 206.276, 197.339], ['C', ' H ', 145.918, 203.875, 197.233], ['C', ' HA ', 148.117, 205.276, 197.258]]
[['C', ' N ', 146.456, 205.412, 199.973], ['C', ' CA ', 146.553, 205.838, 201.364], ['C', ' C ', 147.715, 205.16, 202.076], ['C', ' O ', 148.306, 205.745, 202.991], ['C', ' CB ', 145.242, 205.545, 202.094], ['C', ' H ', 145.783, 204.906, 199.798], ['C', ' HA ', 146.703, 206.796, 201.391]]
[['C', ' N ', 148.057, 203.936, 201.676], ['C', ' CA ', 149.169, 203.211, 202.275], ['C', ' C ', 150.526, 203.704, 201.792], ['C', ' O ', 151.551, 203.248, 202.308], ['C', ' CB ', 149.036, 201.714, 201.98], ['C', ' CG ', 147.772, 201.021, 202.491], ['C', ' CD1', 147.752, 199.562, 202.061], ['C', ' CD2', 147.667, 201.137, 204.003], ['C', ' H ', 147.654, 203.501, 201.053], ['C', ' HA ', 149.137, 203.33, 203.237]]
[['C', ' N ', 150.56, 204.617, 200.826], ['C', ' CA ', 151.818, 205.14, 200.308], ['C', ' C ', 152.195, 206.444, 201.003], ['C', ' O ', 151.334, 207.275, 201.292], ['C', ' CB ', 151.727, 205.356, 198.796], ['C', ' CG ', 151.431, 204.117, 197.95], ['C', ' CD1', 151.336, 204.483, 196.477], ['C', ' CD2', 152.489, 203.049, 198.173]]
daq_score_w9.pdb
daq_score_atom_w9.pdb
Please open it in pymol and visualize it by putting the following command to Pymol:
----------------------------------------------------------------------------------------------------
spectrum b, red_white_blue, all, -1,1
----------------------------------------------------------------------------------------------------
INFO : STEP-0 DAQ Done
INFO: leave DAQ dir, enter DAQ_refine
INFO: STEP-1: Running strategy 1
(prefix: 'str', result_dir: 'Path', feature_dict: 'Dict[str, Any]', is_complex: 'bool', use_templates: 'bool', sequences_lengths: 'List[int]', pad_len: 'int', model_type: 'str', model_runner_and_params: 'List[Tuple[str, model.RunModel, haiku.Params]]', num_relax: 'int' = 0, rank_by: 'str' = 'auto', random_seed: 'int' = 0, num_seeds: 'int' = 1, stop_at_score: 'float' = 100, prediction_callback: 'Callable[[Any, Any, Any, Any, Any], Any]' = None, use_gpu_relax: 'bool' = False, save_all: 'bool' = False, save_single_representations: 'bool' = False, save_pair_representations: 'bool' = False, save_recycles: 'bool' = False)
chain_C
'S1_results' folder does not exist in the current directory.
'S2_results' folder does not exist in the current directory.
'Vanilla_AF2_results' folder does not exist in the current directory.
'DAQ' folder does not exist in the current directory.
'template' folder does not exist in the current directory.
prediction.txt
INFO: Input Protein Sequence and DAQ result file started
chain_C
Prepare trimmed template finished.
MSA finished.(if applicable)
INFO: Input Protein Sequence and DAQ result file Done
INFO: Modeling Part started
chain_C
MSA settings finished.
Advanced settings finished.
DAQ-Refine
Install dependencies finished.
GPU is not available.
chain_C
start running download_alphafold
Query Chain A
Match_columns 520
No_of_seqs 3012 out of 54449
Neff 7.39945
Searched_HMMs 153984
Date Tue Sep 16 15:18:50 2025
UniRef30_2023_02

No Hit Prob E-value P-value Score SS Cols Query HMM Template HMM
1 UniRef100_A0A023FMF3 Protein S 100.0 6E-106 1E-111 871.0 0.0 508 1-520 225-732 (818)
2 UniRef100_A0A6G0IBR6 Nonsense- 100.0 1.6E-98 3E-104 755.2 0.0 486 1-502 1-490 (827)
3 UniRef100_A0A9D3SYJ0 Uncharact 100.0 9.2E-96 2E-101 758.3 0.0 490 1-510 30-523 (1406)
4 UniRef100_A0A0C9R2C8 Protein S 100.0 1.3E-88 2.8E-94 683.8 0.0 399 95-520 5-404 (424)
5 UniRef100_A0A4W2GHX7 Nonsense- 100.0 1.4E-85 2.7E-91 647.5 0.0 405 1-405 1-405 (482)
6 UniRef100_A0A4W6CT12 Nonsense- 100.0 3.9E-85 7.2E-91 655.4 0.0 421 92-520 341-762 (762)
7 UniRef100_A0A674G872 Nonsense- 100.0 2.9E-83 5.7E-89 641.6 0.0 457 49-520 92-551 (567)
8 UniRef100_A0A556U194 Protein S 100.0 1.8E-76 3.3E-82 627.4 0.0 420 1-439 1-443 (2221)
9 UniRef100_A0A6P7JUZ1 Nonsense- 100.0 2.5E-76 4.5E-82 581.7 0.0 385 1-403 17-405 (598)
10 UniRef100_A0A250XXG0 Protein S 100.0 3E-75 5.9E-81 557.8 0.0 327 193-520 9-335 (335)
11 UniRef100_UPI000FD6315B LOW QU 100.0 1.2E-65 2.3E-71 520.9 0.0 452 54-520 270-724 (728)
12 UniRef100_A0A0L7KMJ4 Protein S 100.0 1.8E-61 3.5E-67 487.5 0.0 327 173-520 113-496 (579)
13 UniRef100_A0A8T2MTD7 Protein S 100.0 1E-59 1.9E-65 439.8 0.0 328 1-520 1-332 (332)
14 UniRef100_A0A423TSU8 Protein S 100.0 8.1E-58 1.6E-63 469.5 0.0 332 168-520 223-559 (634)
15 UniRef100_A0A672HWT8 SMG9 nons 100.0 9.9E-58 2E-63 424.2 0.0 236 283-520 2-237 (237)
16 UniRef100_A0A022S0C2 Protein S 100.0 1E-57 2.2E-63 468.6 0.0 322 178-519 101-447 (529)
17 UniRef100_A0A6P7FDX8 Protein S 100.0 3.6E-57 7.1E-63 445.3 0.0 309 174-520 104-414 (414)
18 UniRef100_A0A8V5GP29 Nonsense- 100.0 7.5E-57 1.4E-62 445.9 0.0 338 49-404 28-373 (605)
19 UniRef100_A0A7L3QUS5 Nonsense- 100.0 7.3E-56 1.4E-61 422.3 0.0 373 1-405 1-375 (385)
20 UniRef100_A0A8J6EJD0 Protein S 100.0 2.7E-55 4.9E-61 409.8 0.0 317 1-367 1-323 (326)
21 UniRef100_A0A068RUR5 Protein s 100.0 9.2E-55 2E-60 447.6 0.0 325 174-519 142-468 (493)
22 UniRef100_A0A455AD38 Nonsense- 100.0 2.3E-54 4.4E-60 418.2 0.0 310 1-317 25-336 (381)
23 UniRef100_A0A087G7R9 Protein S 100.0 9.1E-53 1.9E-58 419.1 0.0 320 179-519 63-403 (413)
24 UniRef100_A0A0K0JPL2 BMA-SMG-9 100.0 5.4E-51 1.2E-56 425.3 0.0 333 175-519 154-496 (532)
25 UniRef100_T1J0F4 BTB domain-co 100.0 6.5E-51 1.2E-56 419.1 0.0 410 59-495 583-994 (994)
26 UniRef100_UPI001C202BC2 protei 100.0 6.7E-49 1.2E-54 390.4 0.0 327 173-520 223-607 (607)
27 UniRef100_A0A0B7NRL4 G domain- 100.0 8.2E-49 1.7E-54 389.6 0.0 288 188-519 84-373 (379)
28 UniRef100_UPI000C811166 protei 100.0 2.6E-48 4.8E-54 382.7 0.0 242 164-405 188-429 (545)
29 UniRef100_A0A034WE58 Protein S 100.0 8.1E-48 1.7E-53 393.3 0.0 301 170-518 105-416 (448)
30 UniRef100_A0A194QSN6 Protein S 100.0 1.7E-47 3.2E-53 389.9 0.0 325 175-520 460-836 (836)
31 UniRef100_A0A023F8R7 Protein S 100.0 3.3E-46 6.1E-52 351.4 0.0 317 177-520 1-328 (340)
32 UniRef100_N6TCQ9 Protein SMG9 100.0 3.6E-46 6.5E-52 361.0 0.0 320 175-520 93-444 (444)
33 UniRef100_A0A672HX22 SMG9 nons 100.0 1E-44 1.9E-50 345.6 0.0 237 267-520 86-327 (327)
34 UniRef100_A0A371IGF0 ERAD-asso 100.0 4.1E-43 7.7E-49 365.2 0.0 322 178-519 49-389 (923)
35 UniRef100_A0A3Q3IQA5 Nonsense- 100.0 9.4E-43 1.7E-48 326.1 0.0 241 1-271 1-244 (318)
36 UniRef100_A0A3B3SPQ3 SMG9 nons 100.0 1.3E-41 2.4E-47 315.1 0.0 262 196-463 13-275 (289)
37 UniRef100_UPI000D630DED protei 100.0 6.4E-41 1.3E-46 322.1 0.0 226 251-520 91-316 (316)
38 UniRef100_A0A1R3GGM3 Zinc fing 100.0 1.2E-40 2.2E-46 354.9 0.0 320 179-519 56-395 (1729)
39 UniRef100_A0A1V9X5D1 Protein S 100.0 3.5E-40 6.6E-46 325.7 0.0 298 175-519 148-452 (453)
40 UniRef100_A0A077Z949 Pre mRNA 100.0 7.4E-40 1.4E-45 330.6 0.0 317 178-518 154-472 (519)
41 UniRef100_A0A7J7L7Z4 Uncharact 100.0 1.2E-39 2.3E-45 340.5 0.0 321 179-519 809-1154(1162)
42 UniRef100_A0A6M2DP61 Protein S 100.0 1.4E-39 2.5E-45 313.8 0.0 321 177-520 1-411 (411)
43 UniRef100_A0A8S2AHT7 Genome as 100.0 6.9E-39 1.3E-44 324.3 0.0 303 179-519 379-700 (708)
44 UniRef100_A0A0D3GC17 gluconoki 100.0 9.3E-39 1.8E-44 323.6 0.0 321 179-519 66-409 (629)
45 UniRef100_A0A8J5D0K8 Protein S 100.0 2.2E-38 4E-44 319.6 0.0 301 169-519 370-672 (676)
46 UniRef100_UPI0018A7C168 protei 100.0 1.2E-37 2.3E-43 290.1 0.0 263 236-520 31-297 (297)
47 UniRef100_L8H048 Protein SMG9 100.0 1.3E-37 2.4E-43 302.4 0.0 299 175-519 130-431 (440)
48 UniRef100_A0A453QFJ9 G domain- 100.0 9.6E-37 1.9E-42 301.6 0.0 252 179-505 122-392 (392)
49 UniRef100_A0A4S2JCT7 Protein k 100.0 2E-36 3.7E-42 313.8 0.0 264 173-487 83-346 (979)
50 UniRef100_A0A0S7KDJ3 Nonsense- 100.0 4.6E-36 9E-42 280.6 0.0 227 32-288 12-238 (252)
51 UniRef100_A0A024TLR6 Protein S 100.0 4.9E-36 1E-41 306.1 0.0 285 178-520 145-437 (446)
52 UniRef100_A0A812DEI6 SMG9 n=1 100.0 2E-35 3.6E-41 283.8 0.0 217 284-512 3-219 (385)
53 UniRef100_A0A1B6GE88 Protein S 100.0 2.3E-35 4.2E-41 267.8 0.0 229 267-520 1-236 (236)
54 UniRef100_C3XR15 Nonsense-medi 100.0 3.1E-35 5.7E-41 271.4 0.0 186 143-332 67-252 (270)
55 UniRef100_A0A060XDF0 Uncharact 100.0 4.8E-35 9.2E-41 267.4 0.0 188 1-197 4-194 (217)
56 UniRef100_A0A2N9GZM6 Reverse t 100.0 1.1E-34 1.9E-40 297.9 0.0 322 178-519 141-520 (825)
57 UniRef100_A0A0B6Z1V9 Protein S 100.0 1.3E-34 2.5E-40 271.5 0.0 215 167-383 91-305 (308)
58 UniRef100_A0A1R3GDF6 Agenet do 100.0 1.4E-34 2.6E-40 297.3 0.0 295 179-519 56-365 (835)
59 UniRef100_UPI00207762E2 nonsen 100.0 2.1E-34 3.9E-40 278.0 0.0 193 177-369 161-356 (401)
60 UniRef100_A0A087YJR9 VLIG-type 100.0 2.1E-34 4.7E-40 340.6 0.0 272 178-519 1067-1362(2146)
61 UniRef100_A0A0C9M025 Protein S 100.0 2.9E-34 5.4E-40 309.8 0.0 293 183-518 80-374 (1716)
62 UniRef100_A0A2G9RBF7 VLIG-type 100.0 4.3E-34 9.3E-40 333.3 0.0 272 178-519 1592-1887(2586)
63 UniRef100_UPI001884D99D protei 100.0 6.1E-34 1.1E-39 269.3 0.0 258 171-436 59-316 (330)
64 UniRef100_A0A2Z6MRU6 Uncharact 100.0 1.2E-33 2.2E-39 270.0 0.0 261 178-519 51-323 (331)
65 UniRef100_A0A1B8Y3U7 VLIG-type 100.0 3.1E-33 6.4E-39 318.8 0.0 272 178-519 1072-1367(2103)
66 UniRef100_A0A060XQH1 Interfero 100.0 7E-33 1.5E-38 323.2 0.0 271 178-519 1485-1778(2708)
67 UniRef100_U4UDY1 PPIase cyclop 99.9 4E-32 7.4E-38 276.7 0.0 255 175-438 417-703 (720)
68 UniRef100_A0A6A4VPD4 Protein S 99.9 4.6E-32 8.6E-38 258.5 0.0 260 173-438 65-324 (329)
69 UniRef100_A0A1Y1IK83 Putative 99.9 6.7E-32 1.3E-37 276.7 0.0 341 178-519 63-594 (602)
70 UniRef100_UPI0021C2CE10 nonsen 99.9 8.9E-32 1.6E-37 257.2 0.0 216 173-394 92-355 (358)
71 UniRef100_A0A0V0S0J0 Protein S 99.9 1.1E-31 2.1E-37 267.8 0.0 317 178-518 207-525 (532)
72 UniRef100_A0A444URU4 Interfero 99.9 1.4E-31 2.9E-37 302.5 0.0 272 178-519 568-863 (1575)
73 UniRef100_A0A7I8VUE1 DgyrCDS84 99.9 2.8E-31 5.1E-37 259.3 0.0 317 174-520 119-438 (438)
74 UniRef100_A0A0S7KE40 SMG9 (Fra 99.9 3.4E-31 6.3E-37 239.0 0.0 180 1-196 1-184 (205)
75 UniRef100_A0A194PHS5 Protein S 99.9 3.4E-31 6.3E-37 238.1 0.0 193 312-520 1-205 (205)
76 UniRef100_UPI001A7E94A8 protei 99.9 4.5E-31 8.3E-37 236.8 0.0 154 367-520 22-207 (207)
77 UniRef100_A0A3B0J7M2 Blast:Pro 99.9 4.5E-31 9E-37 268.8 0.0 268 171-501 149-434 (486)
78 UniRef100_A0A6J2J007 Protein S 99.9 5.5E-31 1E-36 241.6 0.0 238 1-330 1-240 (241)
79 UniRef100_A0A2U9BAJ0 Putative 99.9 8.8E-31 1.8E-36 294.8 0.0 270 178-519 1083-1376(2145)
80 UniRef100_A0A1I7UX75 Protein S 99.9 1.1E-30 2.3E-36 260.9 0.0 302 175-518 59-362 (386)
81 UniRef100_A0A151SD51 Protein S 99.9 1.4E-30 2.7E-36 248.0 0.0 196 178-373 72-284 (284)
82 UniRef100_A0A8J7NY31 GVIN1 GTP 99.9 1.5E-30 3.2E-36 300.6 0.0 272 178-519 588-883 (1735)
83 UniRef100_A0A060Z7F6 VLIG-type 99.9 1.9E-30 3.9E-36 295.2 0.0 270 178-519 970-1263(1747)
84 UniRef100_A0A2D4IE60 Uncharact 99.9 2.5E-30 4.6E-36 238.4 0.0 175 177-351 1-216 (240)
85 UniRef100_A0A367KS25 chitin sy 99.9 2.7E-30 4.9E-36 274.1 0.0 294 186-518 1000-1295(1302)
86 UniRef100_UPI0006D72D13 protei 99.9 3.1E-30 5.7E-36 225.6 0.0 168 61-228 1-168 (174)
87 UniRef100_A0A2I4D185 Up-regula 99.9 3.5E-30 7.4E-36 293.0 0.0 271 178-519 807-1100(1686)
88 UniRef100_A0A452I5U0 VLIG-type 99.9 6E-30 1.2E-35 283.1 0.0 270 178-517 775-1068(1374)
89 UniRef100_UPI000FFBAE4B protei 99.9 2.8E-29 5.2E-35 230.3 0.0 144 165-342 11-154 (246)
90 UniRef100_A0A3B3S4Y5 VLIG-type 99.9 2.6E-29 5.6E-35 268.9 0.0 268 178-517 330-621 (679)
91 UniRef100_A0A7R9A3A9 Protein S 99.9 3.3E-29 6.1E-35 236.3 0.0 205 172-388 89-294 (310)
92 UniRef100_A0A6A7FS20 Protein S 99.9 4E-29 7.6E-35 255.7 0.0 314 168-520 254-578 (578)
93 UniRef100_A0A3N0YFN8 Interfero 99.9 5.1E-29 1.1E-34 286.4 0.0 271 178-519 1582-1875(2573)
94 UniRef100_A0A8J1LSY5 Uncharact 99.9 6E-29 1.2E-34 286.1 0.0 271 178-519 1930-2223(2914)
95 UniRef100_A0A2F0BDB1 Nonsense- 99.9 9.2E-29 1.7E-34 223.9 0.0 173 101-273 1-173 (205)
96 UniRef100_A0A2G8L1P6 Protein S 99.9 1.2E-28 2.2E-34 236.2 0.0 174 170-343 158-331 (342)
97 UniRef100_A0A3P8Y460 Protein-t 99.9 1.3E-28 2.5E-34 279.7 0.0 270 178-519 2612-2904(3609)
98 UniRef100_A0A0K0D064 Protein S 99.9 2E-28 3.8E-34 241.9 0.0 309 173-518 108-421 (422)
99 UniRef100_A0A8T2MSB7 Interfero 99.9 2E-28 4E-34 271.9 0.0 272 178-519 1092-1387(1751)
100 UniRef100_A0A182HPF6 Uncharact 99.9 2.4E-28 4.9E-34 247.0 0.0 279 175-518 100-385 (413)
101 UniRef100_A0A8S1J1X1 Protein S 99.9 4.1E-28 7.5E-34 236.9 0.0 316 180-518 75-412 (423)
102 UniRef100_A0A2J8RT98 Nonsense- 99.9 4.1E-28 7.8E-34 211.5 0.0 141 132-272 3-143 (157)
103 UniRef100_A0A813YY76 Protein S 99.9 4.5E-28 8.3E-34 246.7 0.0 325 169-519 211-613 (617)
104 UniRef100_A0A822G5R2 Nonsense- 99.9 6E-28 1.1E-33 219.7 0.0 181 51-248 11-194 (228)
105 UniRef100_A0A5F8H0N0 VLIG-type 99.9 6.5E-28 1.3E-33 252.8 0.0 270 178-517 355-648 (659)
106 UniRef100_A0A2I4C9M8 Interfero 99.9 8.2E-28 1.6E-33 258.1 0.0 269 178-519 387-680 (1045)
107 UniRef100_UPI000CE63913 LOW QU 99.9 1.2E-27 2.3E-33 252.0 0.0 272 178-519 74-368 (740)
108 UniRef100_A0A803K8D7 VLIG-type 99.9 1.2E-27 2.4E-33 265.1 0.0 272 178-519 669-964 (1702)
109 UniRef100_A0A151ZH77 Protein S 99.9 2E-27 4E-33 249.6 0.0 336 177-519 140-561 (669)
110 UniRef100_A0A401Q1A0 VLIG-type 99.9 1.9E-27 4.3E-33 282.4 0.0 272 178-519 1276-1572(2308)
111 UniRef100_A0A6A5CCN4 Protein S 99.9 3E-27 5.8E-33 243.2 0.0 278 201-519 298-603 (611)
112 UniRef100_A0A3P9PR10 VLIG-type 99.9 3.1E-27 6E-33 255.5 0.0 272 178-519 619-913 (1086)
113 UniRef100_A0A6P8VBS1 Interfero 99.9 3.4E-27 6.5E-33 246.5 0.0 272 178-519 238-532 (717)
114 UniRef100_UPI000644A02D hypoth 99.9 4.5E-27 8.2E-33 233.8 0.0 300 179-519 189-500 (506)
RHD3- 99.9 4.5E-27 8.3E-33 234.5 0.0 284 179-519 209-521 (522)
116 UniRef100_A0A0K2V0L5 Protein S 99.9 5E-27 9.2E-33 233.0 0.0 316 171-510 100-441 (495)
117 UniRef100_A0A016U1E3 Protein S 99.9 5.9E-27 1.1E-32 230.2 0.0 314 175-518 110-431 (432)
118 UniRef100_UPI00073841B4 LOW QU 99.9 8.1E-27 1.5E-32 211.4 0.0 171 200-383 45-217 (219)
119 UniRef100_A0A6B2LDD5 Protein S 99.9 8.3E-27 1.5E-32 217.3 0.0 219 178-397 19-268 (273)
120 UniRef100_A0A1Y1V8S5 G domain- 99.9 8.5E-27 1.6E-32 234.0 0.0 305 177-508 120-469 (493)
121 UniRef100_UPI0011CF5796 up-reg 99.9 8.9E-27 1.6E-32 227.5 0.0 272 178-519 75-370 (416)
122 UniRef100_A0A7C9DN91 Protein S 99.9 1.2E-26 2.3E-32 209.4 0.0 178 196-373 2-198 (199)
123 UniRef100_A0A8C3FBN6 VLIG-type 99.9 1.2E-26 2.4E-32 252.0 0.0 272 178-519 569-864 (1294)
124 UniRef100_A0A3P9B9W3 Si:dkey-8 99.9 1.3E-26 2.6E-32 250.1 0.0 268 178-518 774-1066(1104)
125 UniRef100_A0A0N4UQU4 Protein S 99.9 1.7E-26 3.3E-32 219.1 0.0 253 249-518 8-269 (276)
126 UniRef100_A0A2S2N5G1 Protein S 99.9 2E-26 3.7E-32 194.7 0.0 132 250-382 2-133 (134)
127 UniRef100_UPI0013AF787C interf 99.9 2.5E-26 4.7E-32 228.8 0.0 270 178-519 98-391 (477)
128 UniRef100_A0A1D1XV50 Protein S 99.9 2.4E-26 4.9E-32 223.3 0.0 161 178-338 92-258 (279)
129 UniRef100_A0A813SBM4 Protein S 99.9 3.1E-26 5.7E-32 237.8 0.0 221 176-405 266-546 (765)
130 UniRef100_A0A0W8CFH0 SMG9 prot 99.9 3E-26 6E-32 242.3 0.0 323 169-516 321-675 (681)
131 UniRef100_A0A4W6FFN2 VLIG-type 99.9 2.9E-26 6.3E-32 261.2 0.0 271 178-518 701-994 (1355)
132 UniRef100_A0A6V7V7K7 Uncharact 99.9 4.9E-26 8.9E-32 225.1 0.0 300 174-509 81-384 (470)
133 UniRef100_A0A183BWC9 Uncharact 99.9 9.2E-26 1.7E-31 227.4 0.0 289 175-509 120-410 (550)
134 UniRef100_A0A0S7KDM7 SMG9 (Fra 99.9 1.9E-25 3.6E-31 192.2 0.0 120 249-368 2-121 (140)
135 UniRef100_A0A0A9JYG4 Uncharact 99.9 2E-25 4.2E-31 209.8 0.0 174 326-519 12-197 (205)
136 UniRef100_A0A081B4E3 Protein S 99.9 2.1E-25 4.2E-31 231.5 0.0 326 167-516 152-521 (527)
137 UniRef100_A0A6G0HDJ4 Interfero 99.9 2.4E-25 4.7E-31 225.3 0.0 259 178-508 201-482 (484)
138 UniRef100_A0A1U7ZQC5 Protein R 99.9 2.4E-25 5.1E-31 246.5 0.0 248 177-512 45-318 (834)
139 UniRef100_A0A8S1HNA0 Sugar pho 99.9 4.1E-25 7.5E-31 228.7 0.0 284 173-506 121-406 (795)
RHD3- 99.8 5.5E-25 1.1E-30 246.1 0.0 249 176-512 188-461 (1148)
141 UniRef100_A0A068Y5F0 Protein S 99.8 5.5E-25 1.2E-30 241.7 0.0 203 141-344 68-298 (800)
142 UniRef100_A0A059LSD1 Root hair 99.8 6.1E-25 1.2E-30 223.0 0.0 248 177-512 27-299 (408)
143 UniRef100_UPI000E1BB85E LOW QU 99.8 7.4E-25 1.4E-30 191.1 0.0 163 304-520 1-163 (163)
144 UniRef100_A0A1S8VQJ0 Protein S 99.8 7.8E-25 1.5E-30 230.8 0.0 323 177-513 311-716 (765)
145 UniRef100_A0A060Z6H1 VLIG-type 99.8 8.7E-25 1.7E-30 236.5 0.0 270 178-519 505-797 (1218)
146 UniRef100_A0A818NUQ7 Uncharact 99.8 1E-24 1.9E-30 226.5 0.0 324 170-520 422-828 (828)
147 UniRef100_A0A4W5L2Y0 VLIG-type 99.8 1E-24 2E-30 231.2 0.0 268 179-518 418-709 (813)
148 UniRef100_A0A177ATE7 Protein S 99.8 1.1E-24 2E-30 215.7 0.0 322 177-519 119-465 (466)
149 UniRef100_A0A0V1A202 Nuclear e 99.8 1.1E-24 2.1E-30 233.6 0.0 251 178-439 214-465 (1402)
150 UniRef100_A0A6J8A338 VLIG-type 99.8 9.6E-25 2.2E-30 261.4 0.0 274 177-519 1087-1379(2281)
151 UniRef100_A0A974C1I0 VLIG-type 99.8 1.2E-24 2.3E-30 219.6 0.0 269 178-519 225-516 (579)
152 UniRef100_A0A3B3VS00 VLIG-type 99.8 1.2E-24 2.3E-30 232.1 0.0 268 178-519 286-575 (744)
153 UniRef100_A0A0D8XXH7 Protein S 99.8 1.4E-24 2.6E-30 219.1 0.0 298 173-496 180-480 (576)
154 UniRef100_A0A7S0GQ65 Protein S 99.8 2E-24 3.7E-30 217.4 0.0 309 178-519 128-458 (556)
155 UniRef100_A0A210R4J2 Protein S 99.8 2.4E-24 4.7E-30 180.8 0.0 110 408-520 1-110 (110)
156 UniRef100_A0A163IXF8 Protein S 99.8 2.8E-24 5.2E-30 208.5 0.0 194 180-382 107-303 (378)
157 UniRef100_F4PNL6 Thioredoxin d 99.8 3.4E-24 6.3E-30 220.6 0.0 335 178-519 347-723 (730)
RHD3- 99.8 3.1E-24 6.4E-30 223.4 0.0 249 175-512 14-288 (513)
159 UniRef100_A0A4Z2FL19 Interfero 99.8 3.5E-24 6.5E-30 206.6 0.0 246 202-519 6-266 (342)
160 UniRef100_A0A443QUY9 SMG9-like 99.8 3.5E-24 7E-30 217.8 0.0 158 177-342 159-328 (429)
161 UniRef100_A0A814EC78 G-protein 99.8 4.4E-24 8E-30 229.3 0.0 312 174-511 235-618 (1415)
162 UniRef100_A0A1D1W8V3 Protein S 99.8 4.5E-24 8.3E-30 215.2 0.0 315 175-518 220-556 (563)
163 UniRef100_UPI000CE63145 up-reg 99.8 5.4E-24 9.9E-30 222.8 0.0 262 188-519 216-496 (910)
164 UniRef100_R1E1J4 Protein SMG9 99.8 7.4E-24 1.4E-29 197.0 0.0 227 188-518 5-251 (259)
165 UniRef100_A0A061REC9 Protein s 99.8 7E-24 1.4E-29 214.5 0.0 304 179-516 70-411 (430)
166 UniRef100_A0A1D6NK24 Protein R 99.8 7.9E-24 1.6E-29 230.2 0.0 248 177-512 33-305 (789)
RHD3- 99.8 8E-24 1.7E-29 220.1 0.0 249 177-512 20-292 (490)
168 UniRef100_A0A061GC38 Protein R 99.8 8.2E-24 1.7E-29 231.4 0.0 250 175-512 69-343 (881)
169 UniRef100_A0A444UXS4 Interfero 99.8 7.8E-24 1.7E-29 250.6 0.0 270 178-519 1460-1751(2438)
170 UniRef100_A0A0P7VN23 VLIG-type 99.8 8.5E-24 1.8E-29 240.4 0.0 270 178-519 525-813 (1526)
171 UniRef100_A0A6F9ATC7 VLIG-type 99.8 9.4E-24 1.8E-29 227.8 0.0 270 178-518 347-640 (1044)
172 UniRef100_A0A0B2VPV6 Protein S 99.8 1.4E-23 2.5E-29 203.4 0.0 168 176-343 154-328 (347)
173 UniRef100_A0A8J1XSB8 Ofus.G072 99.8 1.5E-23 2.9E-29 203.8 0.0 164 95-277 124-287 (335)
174 UniRef100_A0A915KI62 Uncharact 99.8 2.2E-23 4E-29 202.4 0.0 195 303-520 183-377 (377)
175 UniRef100_A0A6J0SF58 Interfero 99.8 2.5E-23 4.7E-29 215.4 0.0 245 205-519 2-262 (617)
176 UniRef100_A0A0L0HK39 G domain- 99.8 2.9E-23 5.2E-29 208.1 0.0 304 179-519 143-510 (520)
177 UniRef100_UPI001643F58A LOW QU 99.8 2.9E-23 5.4E-29 223.1 0.0 268 178-518 866-1158(1397)
178 UniRef100_UPI001953008B interf 99.8 3E-23 5.7E-29 229.1 0.0 269 178-518 1414-1706(1747)
179 UniRef100_A0A091CY56 Interfero 99.8 2.9E-23 6.2E-29 246.3 0.0 273 178-519 1849-2140(2912)
th 99.8 3.5E-23 6.7E-29 219.1 0.0 288 192-494 589-891 (891)
181 UniRef100_A0A2A2JCR6 Protein S 99.8 3.7E-23 6.9E-29 205.5 0.0 301 174-504 126-433 (473)
182 UniRef100_UPI00165A93F8 interf 99.8 5.9E-23 1.1E-28 225.8 0.0 270 178-519 1076-1369(2079)
183 UniRef100_A0A8T2P7T9 Interfero 99.8 7E-23 1.3E-28 222.0 0.0 272 178-519 1145-1441(1645)
184 UniRef100_A0A3P9A584 VLIG-type 99.8 7.7E-23 1.6E-28 235.8 0.0 270 178-519 917-1208(1905)
185 UniRef100_A0A8C4SH84 Interfero 99.8 9E-23 1.8E-28 226.8 0.0 269 178-519 667-959 (1082)
186 UniRef100_A0A0A1UC35 Protein S 99.8 9.1E-23 2.1E-28 232.0 0.0 255 175-512 84-360 (940)
187 UniRef100_A0A061R475 Protein r 99.8 9.9E-23 2.2E-28 228.8 0.0 254 175-512 11-288 (872)
188 UniRef100_UPI001CF7D2A3 LOW QU 99.8 1.3E-22 2.3E-28 223.4 0.0 271 178-518 1369-1663(2368)
189 UniRef100_A0A4C1V7S5 Protein S 99.8 1.4E-22 2.5E-28 203.2 0.0 160 170-332 257-459 (513)
190 UniRef100_A0A915DL40 Uncharact 99.8 2.6E-22 4.8E-28 183.6 0.0 204 177-411 1-205 (224)
191 UniRef100_A0A6A3D796 Copine fa 99.8 2.7E-22 5.1E-28 190.4 0.0 194 179-397 46-258 (275)
192 UniRef100_A0A1B8Y109 VLIG-type 99.8 2.9E-22 6.1E-28 236.6 0.0 271 178-519 1656-1945(2643)
193 UniRef100_A0A915G513 Uncharact 99.8 4E-22 7.3E-28 216.2 0.0 294 175-505 833-1131(1597)
194 UniRef100_A0A2G8JWD9 Putative 99.8 4.2E-22 8.8E-28 215.3 0.0 269 178-518 350-637 (688)
195 UniRef100_UPI001E1C60EC LOW QU 99.8 5E-22 9.1E-28 216.5 0.0 270 178-519 666-958 (1770)
196 UniRef100_UPI00105530E5 interf 99.8 5.7E-22 1.1E-27 219.9 0.0 270 178-519 1418-1709(2441)
197 UniRef100_A0A1U8C3H7 LOW QUALI 99.8 4.9E-22 1.1E-27 234.5 0.0 272 178-519 1408-1698(2408)
198 UniRef100_A0A0N4TCZ7 Uncharact 99.8 6E-22 1.1E-27 187.3 0.0 258 224-518 2-271 (278)
199 UniRef100_UPI00211EDD12 nonsen 99.8 6.2E-22 1.1E-27 202.1 0.0 172 178-349 161-375 (625)
200 UniRef100_UPI0023022E92 LOW QU 99.8 7.1E-22 1.3E-27 216.8 0.0 271 178-519 1781-2074(2079)
201 UniRef100_A0A131XAJ1 Putative 99.8 7.8E-22 1.4E-27 173.9 0.0 168 302-483 1-168 (170)
202 UniRef100_A0A8B7K0A9 Interfero 99.8 7.2E-22 1.6E-27 234.8 0.0 273 178-519 1308-1599(2290)
203 UniRef100_A0A2M4BQT8 Protein S 99.8 9.2E-22 1.7E-27 195.9 0.0 270 176-518 114-394 (411)
204 UniRef100_A0A267GVL1 VLIG-type 99.8 8.9E-22 1.8E-27 223.3 0.0 274 178-519 725-1017(1394)
205 UniRef100_A0A3B4D326 VLIG-type 99.8 1.2E-21 2.2E-27 209.5 0.0 273 177-519 599-894 (1208)
206 UniRef100_A0A2D0S0W5 Interfero 99.8 1.1E-21 2.3E-27 228.1 0.0 270 178-519 1204-1492(2420)
207 UniRef100_UPI0022203686 unchar 99.7 1.7E-21 3.1E-27 205.0 0.0 209 172-386 443-674 (926)
208 UniRef100_UPI000497F436 interf 99.7 1.7E-21 3.1E-27 214.0 0.0 270 178-519 569-863 (2114)
209 UniRef100_UPI00129DE30E protei 99.7 1.7E-21 3.2E-27 180.2 0.0 152 58-229 86-237 (242)
210 UniRef100_A0A1S3SM16 Up-regula 99.7 1.8E-21 3.5E-27 218.7 0.0 267 178-518 1057-1345(1604)
211 UniRef100_A0A556V365 Kinesin-l 99.7 2E-21 3.6E-27 213.8 0.0 270 178-517 1896-2188(2195)
212 UniRef100_UPI0015B235D2 interf 99.7 2E-21 3.8E-27 217.2 0.0 271 179-519 1368-1663(2372)
213 UniRef100_A0A261C3N8 Uncharact 99.7 2.6E-21 4.8E-27 182.4 0.0 210 177-400 1-210 (282)
214 UniRef100_UPI0015A7A7AE interf 99.7 2.5E-21 4.9E-27 216.0 0.0 274 178-519 737-1029(1474)
215 UniRef100_UPI001A7E4229 unchar 99.7 3.4E-21 6.2E-27 213.3 0.0 248 201-519 1629-1890(2585)
216 UniRef100_A0A060Y9C4 VLIG-type 99.7 3.5E-21 6.5E-27 208.4 0.0 269 178-518 823-1114(1487)
217 UniRef100_A0A8M1KCG0 Interfero 99.7 3.8E-21 7E-27 211.2 0.0 270 178-519 619-914 (2056)
218 UniRef100_A0A103XNZ8 Root hair 99.7 3.6E-21 7.1E-27 207.8 0.0 248 177-512 17-289 (825)
219 UniRef100_A0A6S7GCA8 Interfero 99.7 3.7E-21 7.7E-27 223.0 0.0 265 178-518 871-1160(1890)
220 UniRef100_A0A8T0BF36 VLIG-type 99.7 4.3E-21 7.8E-27 204.9 0.0 270 178-519 415-709 (1148)
221 UniRef100_A0A6J8CYQ9 VLIG-type 99.7 4.1E-21 8.2E-27 213.8 0.0 276 176-519 759-1052(1184)
222 UniRef100_A0A085N5I2 Uncharact 99.7 4.4E-21 8.2E-27 207.4 0.0 305 171-499 156-462 (1139)
223 UniRef100_A0A3N0Y9F5 Interfero 99.7 4.6E-21 9.3E-27 216.3 0.0 270 178-519 556-844 (1620)
224 UniRef100_A0A3N0XPW1 Interfero 99.7 4.7E-21 9.5E-27 216.2 0.0 270 178-519 873-1161(1440)
225 UniRef100_A0A6J2VQD1 Interfero 99.7 4.8E-21 9.5E-27 213.0 0.0 271 178-519 756-1047(1349)
226 UniRef100_A0A8J1LYU4 LOW QUALI 99.7 5.3E-21 9.7E-27 211.7 0.0 272 178-519 1529-1824(2519)
227 UniRef100_A0A803JF09 Uncharact 99.7 5.8E-21 1.1E-26 212.9 0.0 268 178-519 657-947 (3185)
228 UniRef100_A0A8J4TXY3 Up-regula 99.7 5.9E-21 1.1E-26 212.6 0.0 272 178-519 2100-2394(3048)
229 UniRef100_A0A6J2WY30 Interfero 99.7 6E-21 1.3E-26 226.4 0.0 270 178-519 2049-2337(3033)
230 UniRef100_A0A8J1LSX3 Uncharact 99.7 8.2E-21 1.5E-26 213.1 0.0 268 178-519 540-830 (4202)
RHD3- 99.7 8E-21 1.6E-26 205.7 0.0 248 176-512 26-299 (923)
232 UniRef100_A0A4D9DFZ3 Aminotran 99.7 8.3E-21 1.6E-26 209.8 0.0 237 178-484 1044-1310(1324)
233 UniRef100_UPI001E1D2B84 protei 99.7 9.3E-21 1.7E-26 171.8 0.0 186 61-271 13-203 (205)
234 UniRef100_A0A087Y2A4 VLIG-type 99.7 8.6E-21 1.8E-26 214.0 0.0 270 178-519 739-1027(1334)
235 UniRef100_A0A1S3N5W4 Prostagla 99.7 1E-20 1.9E-26 209.6 0.0 269 178-518 1541-1832(2536)
236 UniRef100_A0A2G8JZK7 Putative 99.7 9.9E-21 1.9E-26 197.9 0.0 272 178-518 158-448 (621)
237 UniRef100_A0A6P6J3J0 Interfero 99.7 1E-20 2E-26 210.4 0.0 270 178-518 1021-1311(1367)
238 UniRef100_A0A084WKZ2 AGAP00503 99.7 1.3E-20 2.4E-26 187.0 0.0 279 176-518 86-370 (397)
239 UniRef100_A0A803JF09 Uncharact 99.7 1.5E-20 2.8E-26 209.7 0.0 268 178-519 2208-2498(3185)
240 UniRef100_A0A5A9NBU7 Interfero 99.7 1.4E-20 2.8E-26 218.7 0.0 270 178-519 1551-1839(2586)
241 UniRef100_A0A8R1YCD1 Smg-9 n=2 99.7 2.1E-20 3.8E-26 203.2 0.0 325 175-505 456-832 (1567)
242 UniRef100_A0A8J1LSX3 Uncharact 99.7 2.1E-20 3.9E-26 210.0 0.0 268 178-519 3225-3515(4202)
243 UniRef100_A0A267EQ35 VLIG-type 99.7 2E-20 3.9E-26 199.4 0.0 263 189-519 11-286 (691)
244 UniRef100_UPI000DF15C9A interf 99.7 2.2E-20 4.1E-26 191.7 0.0 251 178-498 269-544 (643)
245 UniRef100_A0A261Y7L8 Protein S 99.7 3.2E-20 5.9E-26 183.3 0.0 291 179-515 102-408 (420)
246 UniRef100_A0A6M2E1P3 Putative 99.7 3.5E-20 6.4E-26 153.2 0.0 105 302-409 1-105 (110)
247 UniRef100_UPI001F07DDA6 protei 99.7 3.6E-20 6.7E-26 162.6 0.0 128 205-338 2-130 (162)
248 UniRef100_A0A078FDR7 Protein R 99.7 3.7E-20 7E-26 200.7 0.0 248 176-512 393-666 (1182)
249 UniRef100_UPI0014029B70 unchar 99.7 3.9E-20 7.1E-26 207.3 0.0 273 178-518 2386-2679(3581)
250 UniRef100_A0A8B6BYU2 VLIG-type 99.7 3.6E-20 7.2E-26 207.6 0.0 274 178-519 327-618 (1347)
251 UniRef100_D3BUJ6 Protein serin 99.7 4.3E-20 7.9E-26 201.8 0.0 264 178-519 1463-1726(1733)
252 UniRef100_A0A3N0XKU7 Interfero 99.7 4E-20 8E-26 212.6 0.0 270 178-519 1129-1417(2124)
253 UniRef100_A0A8S3CFF6 Uncharact 99.7 4.4E-20 8E-26 181.8 0.0 217 174-403 112-349 (407)
254 UniRef100_A0A3Q2D6N9 VLIG-type 99.7 4.8E-20 9.2E-26 191.0 0.0 209 178-438 277-508 (561)
255 UniRef100_A0A060X666 VLIG-type 99.7 4.9E-20 9.9E-26 213.0 0.0 270 178-519 1042-1330(2058)
256 UniRef100_A0A0S7LQ99 GVIN1 (Fr 99.7 5.3E-20 1.1E-25 197.6 0.0 270 178-519 147-435 (768)
257 UniRef100_UPI001AADAB52 up-reg 99.7 5.7E-20 1.1E-25 201.5 0.0 266 178-515 805-1093(1287)
258 UniRef100_A0A553QL00 VLIG-type 99.7 6.1E-20 1.2E-25 202.4 0.0 273 178-519 409-700 (1176)
259 UniRef100_B3RI59 Uncharacteriz 99.7 6.7E-20 1.2E-25 165.4 0.0 190 301-496 2-195 (196)
260 UniRef100_A0A0H5QIZ7 Protein S 99.7 7.1E-20 1.4E-25 183.1 0.0 298 177-519 86-388 (395)
261 UniRef100_UPI001B7FFFED protei 99.7 7.7E-20 1.4E-25 182.5 0.0 170 52-229 257-461 (466)
RHD3- 99.7 7.8E-20 1.5E-25 200.3 0.0 249 176-512 7-280 (1316)
263 UniRef100_A0A7G3AV56 Protein s 99.7 8.6E-20 1.6E-25 179.9 0.0 278 176-518 102-382 (409)
264 UniRef100_A0A7J6AE23 VLIG-type 99.7 8.1E-20 1.6E-25 206.7 0.0 270 178-519 872-1160(1702)
265 UniRef100_A0A0M3QZR0 CG3857 (F 99.7 9.9E-20 1.8E-25 173.2 0.0 245 176-503 3-261 (296)
266 UniRef100_UPI00142555F5 interf 99.7 9.5E-20 1.9E-25 206.9 0.0 264 178-518 641-930 (1630)
267 UniRef100_A0A7J6D6Y9 VLIG-type 99.7 1.1E-19 2E-25 197.6 0.0 268 179-519 830-1120(1514)
268 UniRef100_A0A061IE60 Interfero 99.7 1E-19 2E-25 210.8 0.0 272 178-518 1618-1908(2746)
269 UniRef100_A0A3B1IVI2 VLIG-type 99.7 1.1E-19 2.1E-25 202.3 0.0 269 178-518 798-1085(1330)
270 UniRef100_A0A6A6M2B6 G domain- 99.7 1.2E-19 2.2E-25 173.1 0.0 110 178-287 58-168 (274)
271 UniRef100_UPI000E40DDEE protei 99.7 1.2E-19 2.2E-25 146.7 0.0 77 444-520 20-96 (96)
RHD3- 99.7 1.2E-19 2.4E-25 191.3 0.0 248 177-512 4-276 (624)
273 UniRef100_A0A3Q3LB49 Interfero 99.7 1.3E-19 2.5E-25 208.8 0.0 270 178-519 1544-1832(2565)
274 UniRef100_A0A7S4FBX1 Protein S 99.7 1.6E-19 2.9E-25 156.9 0.0 144 203-346 1-148 (149)
275 UniRef100_A0A3B4DZL8 Interfero 99.7 1.6E-19 3.2E-25 210.2 0.0 270 178-519 2086-2374(3107)
276 UniRef100_A0A010QKB1 Protein S 99.7 1.4E-19 3.2E-25 210.4 0.0 256 175-512 273-560 (1300)
277 UniRef100_A0A1I8GK51 VLIG-type 99.7 1.6E-19 3.3E-25 209.1 0.0 266 179-517 869-1156(1893)
278 UniRef100_UPI001E1D4847 interf 99.6 2E-19 4.5E-25 214.8 0.0 274 178-518 896-1192(2032)
279 UniRef100_A0A914JRN4 Uncharact 99.6 2.6E-19 4.8E-25 184.6 0.0 304 177-508 279-654 (662)
280 UniRef100_A0A1I7RPS7 (pine woo 99.6 2.6E-19 4.9E-25 182.1 0.0 252 203-486 66-319 (567)
281 UniRef100_A0A8X7X7B6 GVIN1 GTP 99.6 3.9E-19 7.6E-25 198.2 0.0 276 178-519 422-718 (1464)
282 UniRef100_A0A8J5A7I6 Interfero 99.6 3.9E-19 7.8E-25 207.6 0.0 274 178-519 1626-1918(2801)
283 UniRef100_A0A811K5I1 Sugar pho 99.6 4.7E-19 8.5E-25 187.5 0.0 239 178-432 41-280 (929)
284 UniRef100_A0A8S3RHX1 Interfero 99.6 5E-19 9.5E-25 180.6 0.0 272 178-518 167-457 (474)
285 UniRef100_A0A565B1W6 Protein R 99.6 5.6E-19 1.1E-24 191.7 0.0 250 174-512 399-674 (1189)
286 UniRef100_A0A1V4K2X3 Uncharact 99.6 6.3E-19 1.2E-24 149.3 0.0 115 205-331 2-116 (117)
287 UniRef100_A0A7R8HEK1 SMG9 n=1 99.6 6.9E-19 1.3E-24 174.0 0.0 182 172-371 143-332 (414)
288 UniRef100_UPI002307F3B5 nonsen 99.6 8.6E-19 1.6E-24 165.5 0.0 155 180-342 3-170 (273)
289 UniRef100_UPI001C3C8DD0 up-reg 99.6 1E-18 1.9E-24 185.3 0.0 269 178-517 598-889 (951)
290 UniRef100_A0A058Z096 Protein S 99.6 8.7E-19 1.9E-24 200.4 0.0 254 177-512 188-462 (1057)
291 UniRef100_A0A813WG44 VLIG-type 99.6 8.9E-19 1.9E-24 209.7 0.0 262 177-517 1151-1426(2447)
292 UniRef100_A0A5E4CR75 VLIG-type 99.6 1E-18 1.9E-24 193.8 0.0 268 178-517 580-869 (1215)
293 UniRef100_UPI001E1D3F92 interf 99.6 9.3E-19 2E-24 203.7 0.0 270 179-518 361-654 (1396)
294 UniRef100_A0A401PYH5 Uncharact 99.6 1.3E-18 2.4E-24 162.1 0.0 109 331-439 13-121 (244)
295 UniRef100_A0A813VHJ1 VLIG-type 99.6 1.4E-18 2.9E-24 204.6 0.0 260 178-517 953-1227(2293)
296 UniRef100_UPI001E8CBE7A up-reg 99.6 1.7E-18 3.1E-24 186.5 0.0 228 178-475 962-1212(1213)
RHD3- 99.6 1.6E-18 3.2E-24 200.9 0.0 246 178-512 198-466 (1826)
298 UniRef100_UPI001F08709B interf 99.6 1.8E-18 3.2E-24 192.0 0.0 270 178-519 1301-1592(2297)
299 UniRef100_M7CIE8 Up-regulator 99.6 1.8E-18 3.3E-24 188.5 0.0 251 178-519 954-1217(1512)
300 UniRef100_A0A1J4JSN9 Protein S 99.6 1.9E-18 4.1E-24 191.5 0.0 248 182-512 3-271 (822)
301 UniRef100_A0A183ICS9 Protein S 99.6 2.3E-18 4.2E-24 149.3 0.0 138 222-367 2-139 (145)
302 UniRef100_A0A250WPI7 Protein S 99.6 2.5E-18 4.6E-24 172.7 0.0 257 247-512 146-464 (480)
303 UniRef100_F2TX72 Protein SMG9 99.6 2.5E-18 4.7E-24 175.9 0.0 218 177-396 219-444 (590)
304 UniRef100_UPI00072E74D2 interf 99.6 2.5E-18 4.9E-24 192.9 0.0 269 178-518 872-1159(1389)
RHD3- 99.6 3.1E-18 5.9E-24 180.0 0.0 249 176-512 2-275 (623)
306 UniRef100_A0A8B6HMX7 VLIG-type 99.6 3.2E-18 6E-24 188.5 0.0 276 176-518 1010-1303(1864)
307 UniRef100_F6YIT4 SMG9 nonsense 99.6 3.5E-18 6.3E-24 143.5 0.0 81 358-438 34-114 (118)
308 UniRef100_A0A3B1JQG8 VLIG-type 99.6 3.6E-18 7E-24 193.0 0.0 270 178-519 779-1067(1754)
309 UniRef100_UPI00106965F0 interf 99.6 4E-18 7.8E-24 190.0 0.0 268 178-518 691-981 (1357)
RHD3- 99.6 6.1E-18 1.1E-23 156.7 0.0 169 177-393 6-195 (213)
311 UniRef100_A0A2D4BQD4 Uncharact 99.6 6.4E-18 1.2E-23 164.1 0.0 208 179-394 12-249 (342)
312 UniRef100_A0A8S3QLH1 VLIG-type 99.6 7.2E-18 1.4E-23 170.5 0.0 263 190-519 7-282 (435)
313 UniRef100_A0A8C5DE82 Up-regula 99.6 7.6E-18 1.4E-23 182.7 0.0 272 178-519 913-1205(1335)
314 UniRef100_A0A0B0PW33 Root hair 99.6 8E-18 1.5E-23 170.6 0.0 247 177-512 4-276 (427)
315 UniRef100_A0A0X3NVX6 Protein S 99.6 8.9E-18 1.7E-23 165.4 0.0 176 168-344 29-227 (374)
316 UniRef100_A0A4W2GE16 VLIG-type 99.6 9.2E-18 1.8E-23 188.9 0.0 266 178-518 773-1063(1409)
317 UniRef100_A0A507C1A6 Uncharact 99.6 9.7E-18 1.8E-23 176.8 0.0 292 177-508 291-618 (699)
318 UniRef100_A0A177W8Z7 Uncharact 99.6 1.1E-17 1.9E-23 179.7 0.0 323 178-514 662-1069(1112)
319 UniRef100_A0A0L0S082 Protein S 99.5 9.8E-18 2.2E-23 190.7 0.0 249 178-512 66-338 (948)
320 UniRef100_A0A8K1FPD1 Protein S 99.5 1.2E-17 2.2E-23 169.5 0.0 190 177-374 192-410 (529)
321 UniRef100_A0A8T2N101 VLIG-type 99.5 1.3E-17 2.4E-23 176.2 0.0 271 178-518 296-587 (784)
322 UniRef100_UPI00074FBB6E LOW QU 99.5 1.3E-17 2.6E-23 188.0 0.0 219 178-517 941-1172(1791)
RHD3- 99.5 1.3E-17 2.6E-23 185.1 0.0 249 175-512 37-307 (1124)
324 UniRef100_A0A6G0J2E7 Interfero 99.5 1.8E-17 3.2E-23 159.3 0.0 213 178-446 15-250 (309)
325 UniRef100_A0A267DJV6 VLIG-type 99.5 1.7E-17 3.3E-23 190.4 0.0 275 177-519 1348-1642(2399)
326 UniRef100_UPI0020154093 LOW QU 99.5 1.9E-17 3.5E-23 181.5 0.0 271 178-518 382-673 (1610)
327 UniRef100_A0A061HUF7 Protein S 99.5 2.1E-17 4E-23 146.3 0.0 108 196-303 21-128 (158)
328 UniRef100_A0A6P6QPT7 Interfero 99.5 2.1E-17 4.1E-23 190.6 0.0 270 178-519 1758-2046(2806)
329 UniRef100_A0A8T2MV86 VLIG-type 99.5 2.2E-17 4.1E-23 176.0 0.0 271 178-518 214-505 (986)
330 UniRef100_A0A507CNA6 RRM domai 99.5 2.6E-17 4.7E-23 175.7 0.0 293 175-508 289-618 (994)
331 UniRef100_A0A2P6VLJ9 SMG9-like 99.5 2.7E-17 4.9E-23 177.6 0.0 319 181-518 46-423 (1209)
332 UniRef100_A0A5E4CT16 VLIG-type 99.5 2.9E-17 5.6E-23 184.1 0.0 268 178-517 497-786 (1472)
333 UniRef100_A0A5C6MIQ7 Interfero 99.5 3.3E-17 6.2E-23 166.0 0.0 270 178-519 173-461 (461)
334 UniRef100_UPI001C0A5F06 up-reg 99.5 3.5E-17 6.5E-23 179.1 0.0 267 178-516 929-1218(1549)
335 UniRef100_A0A3M0J1N9 VLIG-type 99.5 3.4E-17 6.7E-23 189.5 0.0 273 178-519 1462-1753(2230)
336 UniRef100_A0A0B1SJL2 Protein S 99.5 4.5E-17 8.3E-23 146.1 0.0 157 173-332 8-171 (173)
337 UniRef100_A0A0B6Z176 Uncharact 99.5 5E-17 9.3E-23 140.4 0.0 127 385-520 4-136 (139)
338 UniRef100_A0A3Q3LDF2 Interfero 99.5 4.9E-17 9.6E-23 187.8 0.0 270 178-519 961-1249(2832)
339 UniRef100_UPI001E1D9372 interf 99.5 4.9E-17 9.8E-23 190.3 0.0 274 178-519 1448-1745(2473)
340 UniRef100_A0A915JXX5 Uncharact 99.5 5.6E-17 1E-22 156.5 0.0 127 176-302 159-285 (317)
341 UniRef100_A0A173GTR2 VLIG1 n=1 99.5 5.4E-17 1E-22 183.5 0.0 272 178-519 781-1074(1918)
342 UniRef100_A0A7J6DAX1 Interfero 99.5 6.1E-17 1.2E-22 183.5 0.0 268 178-518 1449-1735(1850)
343 UniRef100_A0A2G8L1N7 Uncharact 99.5 7.1E-17 1.3E-22 151.0 0.0 176 302-479 1-178 (244)
344 UniRef100_A0A210R3X1 Interfero 99.5 7.4E-17 1.4E-22 184.5 0.0 275 177-519 1568-1860(2592)
345 UniRef100_A0A2P6PEA3 Putative 99.5 7.4E-17 1.5E-22 156.0 0.0 172 177-395 3-197 (252)
346 UniRef100_A0A194PIQ7 Protein S 99.5 9.7E-17 1.8E-22 156.8 0.0 108 175-282 184-330 (354)
347 UniRef100_A0A8C1C4H5 VLIG-type 99.5 9.6E-17 1.8E-22 172.9 0.0 270 178-519 139-435 (975)
348 UniRef100_A0A7M5WQH1 Uncharact 99.5 1.2E-16 2.1E-22 146.6 0.0 165 339-516 1-172 (209)
349 UniRef100_UPI001C3F9BDB LOW QU 99.5 1.2E-16 2.1E-22 172.8 0.0 272 178-519 292-596 (1188)
350 UniRef100_A0A6P6YCT9 Uncharact 99.5 1.1E-16 2.2E-22 166.2 0.0 133 201-341 202-385 (506)
351 UniRef100_A0A6A5E8T9 VLIG-type 99.5 1.2E-16 2.3E-22 157.4 0.0 261 178-510 45-324 (341)
352 UniRef100_A0A6J8AAN7 VLIG-type 99.5 1.3E-16 2.4E-22 168.3 0.0 264 177-516 363-642 (643)
353 UniRef100_A0A3N0Y5E5 Interfero 99.5 1.3E-16 2.5E-22 181.9 0.0 270 178-519 1562-1850(2546)
354 UniRef100_A0A0A9PCG6 Uncharact 99.5 1.3E-16 2.6E-22 148.9 0.0 125 176-331 31-166 (188)
355 UniRef100_UPI0018913742 LOW QU 99.5 1.4E-16 2.7E-22 164.2 0.0 269 178-519 293-582 (616)
356 UniRef100_A0A814JWI2 VLIG-type 99.5 1.6E-16 3.1E-22 183.2 0.0 259 178-517 655-938 (2101)
357 UniRef100_A0A835D338 Protein R 99.5 1.7E-16 3.1E-22 171.2 0.0 254 177-512 322-601 (1141)
358 UniRef100_A0A9D3NP49 Uncharact 99.5 1.8E-16 3.3E-22 163.2 0.0 270 178-519 154-442 (599)
359 UniRef100_A0A087YS13 Upregulat 99.5 1.7E-16 3.4E-22 175.0 0.0 252 178-506 646-922 (922)
360 UniRef100_A0A817ZFP7 Uncharact 99.5 1.9E-16 3.6E-22 159.4 0.0 261 179-517 3-286 (393)
361 UniRef100_UPI0006AB59A5 interf 99.5 2.2E-16 4.1E-22 169.3 0.0 270 178-519 266-556 (913)
362 UniRef100_A0A8C1QUP3 Interfero 99.4 2.4E-16 4.6E-22 180.6 0.0 270 178-519 1754-2042(2743)
363 UniRef100_D5AEA1 Uncharacteriz 99.4 2.6E-16 4.8E-22 146.8 0.0 171 329-519 2-228 (236)
364 UniRef100_A0A1R3H361 Protein S 99.4 2.6E-16 5.1E-22 147.1 0.0 95 179-273 71-166 (202)
365 UniRef100_A0A1Y2B8L7 G domain- 99.4 2.9E-16 5.4E-22 161.6 0.0 267 197-485 150-536 (594)
366 UniRef100_UPI0020B1A888 interf 99.4 3.4E-16 6.3E-22 175.3 0.0 270 178-519 1520-1812(2503)
367 UniRef100_A0A6F9ASX7 VLIG-type 99.4 3.5E-16 6.4E-22 160.4 0.0 213 178-446 15-249 (566)
368 UniRef100_A0A6J8A8V5 VLIG-type 99.4 3.6E-16 6.7E-22 174.3 0.0 273 179-519 1091-1381(1837)
RHD3- 99.4 4E-16 7.8E-22 170.9 0.0 246 176-512 3-274 (972)
370 UniRef100_UPI000B45968E interf 99.4 4.6E-16 8.8E-22 173.2 0.0 275 177-519 562-854 (1566)
371 UniRef100_A0A7D9LN12 Interfero 99.4 4.8E-16 9.3E-22 172.2 0.0 263 179-518 148-436 (1144)
372 UniRef100_A0A6S7K882 Interfero 99.4 5.4E-16 1E-21 169.9 0.0 267 178-519 623-912 (1038)
RHD3- 99.4 5.5E-16 1E-21 165.5 0.0 250 177-512 72-347 (788)
374 UniRef100_A0A8K1D7Y2 VLIG-type 99.4 5.8E-16 1.1E-21 175.6 0.0 273 178-519 1341-1632(2335)
375 UniRef100_A0A7S1KRY3 Protein S 99.4 6.1E-16 1.1E-21 160.0 0.0 256 262-519 332-618 (621)
376 UniRef100_A0A8S2B1U6 Protein R 99.4 6.2E-16 1.1E-21 171.2 0.0 247 178-512 979-1250(1806)
377 UniRef100_A0A7R9GEP1 RRM domai 99.4 6.7E-16 1.2E-21 165.4 0.0 263 182-516 674-983 (994)
RHD3-type 99.4 6.8E-16 1.3E-21 146.2 0.0 157 179-395 12-179 (243)
379 UniRef100_A0A7J6AGD4 VLIG-type 99.4 7E-16 1.3E-21 167.8 0.0 270 178-519 461-749 (1276)
380 UniRef100_A0A814NPP0 SAM domai 99.4 6.5E-16 1.3E-21 176.7 0.0 261 177-517 611-887 (1573)
381 UniRef100_A0A7J6ADJ6 VLIG-type 99.4 7E-16 1.3E-21 156.2 0.0 258 190-519 2-273 (442)
382 UniRef100_A0A2P6U2Z5 SMG9-like 99.4 7.3E-16 1.3E-21 160.4 0.0 232 179-410 48-316 (670)
383 UniRef100_A0A1B8Y1P4 VLIG-type 99.4 7.6E-16 1.4E-21 173.6 0.0 273 178-519 1922-2213(2896)
384 UniRef100_A0A819D074 VLIG-type 99.4 7.3E-16 1.4E-21 175.0 0.0 261 178-517 900-1174(1614)
385 UniRef100_A9VCA1 G domain-cont 99.4 8.2E-16 1.5E-21 146.8 0.0 199 200-398 8-216 (282)
386 UniRef100_UPI0014256CD2 interf 99.4 8.6E-16 1.6E-21 174.5 0.0 272 178-519 1484-1774(2466)
387 UniRef100_A0A6J8F0I3 VLIG-type 99.4 8.9E-16 1.6E-21 171.7 0.0 272 179-519 1060-1350(2298)
388 UniRef100_A0A915N094 Uncharact 99.4 9E-16 1.7E-21 143.7 0.0 159 174-342 66-225 (241)
389 UniRef100_A0A7S4RX88 Protein S 99.4 9.1E-16 1.7E-21 157.6 0.0 282 179-519 219-557 (569)
390 UniRef100_A0A814EXZ9 VLIG-type 99.4 9.2E-16 1.8E-21 178.1 0.0 262 177-517 909-1185(2192)
391 UniRef100_A0A267FUT5 VLIG-type 99.4 9.8E-16 1.9E-21 153.2 0.0 238 213-519 1-249 (374)
392 UniRef100_UPI0019537BC9 interf 99.4 1E-15 2E-21 163.9 0.0 270 178-519 188-476 (851)
393 UniRef100_G1PZH3 VLIG-type G d 99.4 1.1E-15 2.2E-21 165.6 0.0 231 179-484 601-856 (879)
394 UniRef100_A0A507FHF8 IMS impor 99.4 1.2E-15 2.2E-21 160.2 0.0 263 167-435 210-592 (746)
395 UniRef100_A0A023AY55 Protein S 99.4 1.2E-15 2.3E-21 167.8 0.0 250 179-512 23-296 (833)
396 UniRef100_UPI001EAEBB58 interf 99.4 1.4E-15 2.5E-21 167.4 0.0 270 178-519 974-1262(1568)
397 UniRef100_A0A438IYJ5 Uncharact 99.4 1.4E-15 2.6E-21 136.5 0.0 127 373-519 12-143 (163)
398 UniRef100_UPI001E1DAC8E interf 99.4 1.6E-15 3.2E-21 176.3 0.0 275 178-519 1419-1714(2447)
399 UniRef100_A0A6P6AHC2 LOW QUALI 99.4 1.9E-15 3.4E-21 160.4 0.0 246 178-512 6-277 (849)
400 UniRef100_A0A4W6FDT7 VLIG-type 99.4 1.9E-15 3.5E-21 155.2 0.0 219 213-501 331-563 (564)
401 UniRef100_A0A4Z2EE49 Interfero 99.4 1.9E-15 3.6E-21 160.7 0.0 235 204-518 34-273 (685)
402 UniRef100_A0A6P6MHB4 Interfero 99.4 2E-15 3.7E-21 171.3 0.0 270 178-519 1104-1392(2074)
403 UniRef100_A0A0K6G809 Protein S 99.4 1.9E-15 3.7E-21 152.6 0.0 252 177-512 48-322 (368)
404 UniRef100_A0A183AXQ5 ABC trans 99.4 1.9E-15 3.8E-21 145.7 0.0 111 168-278 43-156 (235)
405 UniRef100_A0A8S3VIA2 VLIG-type 99.4 2.1E-15 3.9E-21 153.6 0.0 262 178-506 233-512 (512)
406 UniRef100_A0A7S0M048 Protein S 99.4 2.1E-15 3.9E-21 141.4 0.0 140 179-318 94-242 (242)
407 UniRef100_A0A2U1P5C0 Protein R 99.4 2.2E-15 4E-21 162.9 0.0 259 178-512 7-303 (1115)
408 UniRef100_UPI001B8004BC interf 99.4 2.2E-15 4E-21 168.1 0.0 273 178-519 1104-1395(2071)
409 UniRef100_UPI001953008B interf 99.4 2.2E-15 4.2E-21 169.7 0.0 267 178-517 515-806 (1747)
410 UniRef100_A0A3P9PUU4 VLIG-type 99.4 2.2E-15 4.2E-21 160.3 0.0 265 178-514 347-630 (728)
411 UniRef100_A0A061J3D3 Protein S 99.4 2E-15 4.3E-21 170.9 0.0 256 178-512 66-382 (932)
412 UniRef100_UPI002286CFA9 interf 99.4 2.7E-15 5E-21 166.2 0.0 271 178-517 785-1074(1759)
413 UniRef100_A0A669Q7M8 VLIG-type 99.4 2.7E-15 5.3E-21 157.6 0.0 236 178-482 288-544 (557)
414 UniRef100_A0A553R0N1 VLIG-type 99.4 3E-15 5.4E-21 167.9 0.0 268 178-519 1353-1644(2347)
415 UniRef100_A0A813WZ30 VLIG-type 99.3 3.2E-15 6.2E-21 164.8 0.0 262 177-518 164-440 (921)
416 UniRef100_A0A226EIS7 Protein S 99.3 3.3E-15 6.3E-21 155.3 0.0 271 178-520 232-513 (513)
417 UniRef100_UPI0021ACCA74 protei 99.3 3.5E-15 6.4E-21 142.9 0.0 168 177-392 39-227 (285)
RHD3- 99.3 3.5E-15 6.4E-21 163.8 0.0 171 176-394 235-426 (1449)
419 UniRef100_A0A132A2Q0 SMG9-like 99.3 3.8E-15 7.1E-21 145.7 0.0 132 202-341 73-225 (343)
420 UniRef100_UPI001B8004BC interf 99.3 3.9E-15 7.1E-21 166.2 0.0 273 178-519 146-437 (2071)
421 UniRef100_A0A5B7ELR4 Protein S 99.3 3.9E-15 7.2E-21 148.9 0.0 143 296-438 148-294 (423)
422 UniRef100_A0A0G4J7D5 Protein S 99.3 3.7E-15 7.5E-21 164.4 0.0 252 177-512 14-297 (817)
423 UniRef100_UPI0007AD7E7D interf 99.3 4.1E-15 7.7E-21 164.6 0.0 272 178-519 533-823 (1516)
424 UniRef100_A0A8X7XAC1 GVIN1 GTP 99.3 4E-15 7.9E-21 149.7 0.0 178 304-519 6-187 (354)
425 UniRef100_A0A8T3CX51 Uncharact 99.3 4.3E-15 8E-21 162.8 0.0 178 178-401 714-911 (1094)
426 UniRef100_A0A0L0SLZ2 Septin-ty 99.3 4.3E-15 8.2E-21 156.9 0.0 295 178-512 232-613 (616)
427 UniRef100_A0A815I0N6 VWFA doma 99.3 4.5E-15 9.1E-21 170.0 0.0 261 178-517 69-344 (1359)
428 UniRef100_A0A7S4NWB7 Protein S 99.3 5E-15 9.1E-21 138.5 0.0 159 180-339 53-218 (234)
429 UniRef100_UPI001175F315 interf 99.3 6.4E-15 1.2E-20 164.7 0.0 268 178-519 1134-1422(2113)
430 UniRef100_A0A821Y9P3 VLIG-type 99.3 6.5E-15 1.2E-20 148.2 0.0 260 178-516 112-402 (445)
431 UniRef100_A0A564Z860 Protein S 99.3 6.7E-15 1.2E-20 150.9 0.0 169 169-337 36-233 (543)
RHD3 99.3 5.8E-15 1.3E-20 163.2 0.0 250 177-506 12-277 (568)
433 UniRef100_UPI001069E1E2 interf 99.3 8E-15 1.5E-20 158.1 0.0 264 179-519 83-372 (848)
RHD3- 99.3 1.1E-14 1.9E-20 154.2 0.0 249 177-512 77-350 (787)
435 UniRef100_A0A8C4XAJ3 Up-regula 99.3 1.1E-14 2E-20 160.2 0.0 276 178-519 750-1046(1337)
436 UniRef100_A0A2G8LLX9 Putative 99.3 1.1E-14 2E-20 151.1 0.0 269 178-516 98-389 (615)
437 UniRef100_L1IE84 Protein SMG9 99.3 1.1E-14 2.1E-20 141.2 0.0 200 197-400 3-247 (313)
438 UniRef100_UPI0014038CC8 interf 99.3 1.1E-14 2.1E-20 151.6 0.0 262 179-517 247-529 (648)
439 UniRef100_A0A267GQX3 VLIG-type 99.3 1.1E-14 2.1E-20 147.8 0.0 271 178-519 31-324 (489)
440 UniRef100_UPI002278A69F interf 99.3 1.2E-14 2.1E-20 164.6 0.0 269 178-518 1873-2160(2875)
441 UniRef100_A0A1A6HIT4 VLIG-type 99.3 1.2E-14 2.2E-20 153.3 0.0 270 179-517 357-645 (760)
442 UniRef100_A0A6A3BID3 Protein R 99.3 1.5E-14 2.8E-20 156.0 0.0 150 175-372 282-449 (1030)
443 UniRef100_A0A816VPY8 VLIG-type 99.3 1.5E-14 2.9E-20 164.5 0.0 258 179-517 132-414 (1417)
RHD3- 99.3 1.7E-14 3.2E-20 158.3 0.0 152 179-374 34-204 (936)
445 UniRef100_A0A096M539 VLIG-type 99.3 1.8E-14 3.3E-20 155.8 0.0 259 178-508 603-880 (883)
446 UniRef100_A0A015KMF5 Protein S 99.3 1.7E-14 3.5E-20 158.7 0.0 255 176-512 89-364 (695)
447 UniRef100_L9KVC5 Interferon-in 99.3 1.9E-14 3.5E-20 159.4 0.0 268 178-517 787-1076(1513)
448 UniRef100_UPI0011E9F539 interf 99.3 1.9E-14 3.5E-20 158.6 0.0 270 178-519 967-1255(1497)
449 UniRef100_UPI001955B089 interf 99.3 2.1E-14 3.8E-20 162.7 0.0 270 178-519 1901-2189(2887)
450 UniRef100_UPI0020943C5E interf 99.3 2.1E-14 4E-20 161.2 0.0 276 178-519 1291-1585(1717)
451 UniRef100_A0A6V7WCM3 Uncharact 99.3 2.6E-14 4.8E-20 139.7 0.0 240 234-509 5-247 (333)
452 UniRef100_UPI000854FA9C interf 99.2 2.9E-14 5.4E-20 127.8 0.0 150 202-397 8-168 (169)
453 UniRef100_UPI0006D8DDA8 protei 99.2 3E-14 5.5E-20 123.5 0.0 108 92-208 17-127 (135)
454 UniRef100_A0A8H7ER04 Dynamin-l 99.2 2.7E-14 5.5E-20 154.1 0.0 252 179-512 31-302 (635)
RHD3- 99.2 3E-14 5.5E-20 153.3 0.0 247 178-512 6-279 (855)
456 UniRef100_A0A063C7H9 Protein S 99.2 2.7E-14 5.6E-20 159.3 0.0 254 177-512 61-355 (909)
457 UniRef100_A0A8T1U9D3 P-loop co 99.2 3.1E-14 5.8E-20 145.6 0.0 290 202-516 175-512 (518)
458 UniRef100_A0A7J8ERL7 VLIG-type 99.2 3.2E-14 6E-20 152.8 0.0 264 179-517 178-466 (813)
459 UniRef100_UPI0018646FA9 interf 99.2 3.3E-14 6.1E-20 159.4 0.0 268 178-517 1145-1431(2123)
460 UniRef100_A0A7S3V054 Protein S 99.2 3.7E-14 6.8E-20 142.9 0.0 184 177-373 96-317 (442)
461 UniRef100_E4XMX7 Uncharacteriz 99.2 3.7E-14 6.8E-20 127.9 0.0 149 300-478 26-174 (176)
462 UniRef100_A0A3N0Y531 PRKCA-bin 99.2 4E-14 7.3E-20 160.1 0.0 270 178-519 876-1164(2621)
463 UniRef100_A0A6G1S716 Protein s 99.2 4.2E-14 7.9E-20 140.9 0.0 161 172-341 63-238 (344)
464 UniRef100_A0A7J6DBL9 Uncharact 99.2 4.4E-14 8.1E-20 154.9 0.0 265 178-517 934-1217(1323)
465 UniRef100_A0A267H2T1 VLIG-type 99.2 4.5E-14 8.3E-20 157.0 0.0 275 177-519 680-974 (1725)
466 UniRef100_A0A669Q7M4 VLIG-type 99.2 4.6E-14 8.5E-20 150.6 0.0 251 178-519 592-861 (863)
467 UniRef100_A0A8J2RLF3 VLIG-type 99.2 4.4E-14 9.2E-20 166.8 0.0 280 178-517 770-1075(1792)
468 UniRef100_A0A6J8A109 VLIG-type 99.2 5.1E-14 9.7E-20 153.8 0.0 264 178-519 532-824 (896)
469 UniRef100_UPI000DED56A8 protei 99.2 5.3E-14 9.8E-20 148.7 0.0 250 177-512 69-344 (754)
Sey1 99.2 5.1E-14 1.1E-19 149.2 0.0 226 201-511 32-274 (472)
471 UniRef100_A0A182WM91 Chromatin 99.2 6E-14 1.1E-19 154.5 0.0 272 176-509 28-305 (1414)
472 UniRef100_UPI001E1C51EA up-reg 99.2 6.2E-14 1.1E-19 151.7 0.0 244 178-483 608-880 (1053)
473 UniRef100_A0A836XM84 Protein S 99.2 6.5E-14 1.2E-19 137.9 0.0 160 335-519 166-343 (351)
474 UniRef100_A0A150G0W0 Uncharact 99.2 6.1E-14 1.2E-19 153.8 0.0 228 169-400 199-515 (778)
475 UniRef100_A0A6P6WMS2 Protein R 99.2 6.5E-14 1.2E-19 144.0 0.0 249 177-512 7-276 (489)
RHD3- 99.2 6.4E-14 1.2E-19 150.1 0.0 249 177-512 24-298 (676)
477 UniRef100_J9EE56 von Willebran 99.2 6.4E-14 1.2E-19 165.2 0.0 261 177-518 1887-2163(3430)
478 UniRef100_E4XMX6 Nonsense-medi 99.2 7.6E-14 1.4E-19 129.5 0.0 112 175-288 82-196 (215)
479 UniRef100_UPI00143D9FAC LOW QU 99.2 7.7E-14 1.4E-19 156.1 0.0 270 178-519 1003-1291(1969)
480 UniRef100_UPI0020CAAEB9 interf 99.2 8.3E-14 1.5E-19 155.9 0.0 269 179-519 966-1253(1952)
481 UniRef100_A0A7J6DAQ4 Interfero 99.2 8.4E-14 1.6E-19 155.6 0.0 269 178-518 525-812 (1905)
482 UniRef100_UPI001CF9EA0C LOW QU 99.2 8.5E-14 1.6E-19 158.4 0.0 268 180-519 1463-1755(3071)
483 UniRef100_UPI001891BD17 interf 99.2 8.7E-14 1.6E-19 151.6 0.0 265 178-519 859-1147(1160)
484 UniRef100_A0A4W4G7Q8 Si:dkey-8 99.2 1E-13 1.9E-19 144.6 0.0 184 178-410 370-573 (629)
485 UniRef100_UPI001068DC74 interf 99.2 1E-13 1.9E-19 156.9 0.0 262 179-518 1573-1862(2574)
486 UniRef100_UPI00106B9B4F interf 99.2 1E-13 1.9E-19 159.4 0.0 266 179-518 1481-1770(2490)
487 UniRef100_UPI00106C4817 interf 99.2 1E-13 2E-19 154.5 0.0 254 179-511 994-1276(1281)
RHD3- 99.2 1.3E-13 2.4E-19 148.6 0.0 246 179-512 60-330 (887)
489 UniRef100_A0A9D4B4G1 Uncharact 99.2 1.4E-13 2.5E-19 109.3 0.0 73 1-75 1-77 (79)
RHD3- 99.2 1.3E-13 2.5E-19 133.5 0.0 157 175-375 43-221 (264)
491 UniRef100_A0A8X8BR76 GVIN1 GTP 99.2 1.4E-13 2.6E-19 149.4 0.0 273 178-519 206-502 (1087)
492 UniRef100_UPI0003AFD55D unchar 99.2 1.4E-13 2.7E-19 149.0 0.0 168 188-401 691-873 (917)
493 UniRef100_A0A3N0YX16 Interfero 99.2 1.5E-13 2.8E-19 157.3 0.0 268 178-517 2016-2302(3050)
494 UniRef100_UPI001E1D9C56 interf 99.2 1.7E-13 3.4E-19 158.4 0.0 264 178-519 568-856 (1545)
RHD3- 99.2 1.9E-13 3.5E-19 126.2 0.0 164 177-392 4-185 (195)
496 UniRef100_A0A8C2CZU5 VLIG-type 99.2 2E-13 3.7E-19 151.6 0.0 269 179-519 1126-1413(1600)
497 UniRef100_UPI001E1D61EE interf 99.2 1.8E-13 3.7E-19 159.8 0.0 268 178-519 599-896 (1538)
498 UniRef100_A0A267FEF4 VLIG-type 99.1 2.2E-13 4E-19 150.1 0.0 273 178-519 365-658 (1380)
499 UniRef100_A0A814SSK5 VLIG-type 99.1 2.1E-13 4E-19 154.3 0.0 261 178-517 621-904 (1555)
500 UniRef100_A0A2V3J1Y5 Protein S 99.1 2.1E-13 4.3E-19 147.0 0.0 175 180-394 17-233 (578)

Query Chain A
Match_columns 520
No_of_seqs 2992 out of 53445
Neff 7.38691
Searched_HMMs 153425
Date Tue Sep 16 15:30:17 2025
UniRef30_2023_02

No Hit Prob E-value P-value Score SS Cols Query HMM Template HMM
1 UniRef100_A0A023FMF3 Protein S 100.0 7E-106 2E-111 870.6 0.0 508 1-520 225-732 (818)
2 UniRef100_A0A6G0IBR6 Nonsense- 100.0 1.7E-98 3E-104 755.0 0.0 486 1-502 1-490 (827)
3 UniRef100_A0A9D3SYJ0 Uncharact 100.0 9.6E-96 2E-101 758.3 0.0 490 1-510 30-523 (1406)
4 UniRef100_A0A0C9R2C8 Protein S 100.0 1.5E-88 3.1E-94 683.5 0.0 399 95-520 5-404 (424)
5 UniRef100_A0A4W2GHX7 Nonsense- 100.0 1.4E-85 2.7E-91 647.5 0.0 405 1-405 1-405 (482)
6 UniRef100_A0A4W6CT12 Nonsense- 100.0 4.5E-85 8.2E-91 655.1 0.0 421 92-520 341-762 (762)
7 UniRef100_A0A674G872 Nonsense- 100.0 3.1E-83 6E-89 641.5 0.0 457 49-520 92-551 (567)
8 UniRef100_A0A556U194 Protein S 100.0 1.8E-76 3.3E-82 627.5 0.0 420 1-439 1-443 (2221)
9 UniRef100_A0A6P7JUZ1 Nonsense- 100.0 2.5E-76 4.5E-82 581.8 0.0 385 1-403 17-405 (598)
10 UniRef100_A0A250XXG0 Protein S 100.0 3.6E-75 7.1E-81 557.4 0.0 327 193-520 9-335 (335)
11 UniRef100_UPI000FD6315B LOW QU 100.0 1.2E-65 2.4E-71 520.8 0.0 452 54-520 270-724 (728)
12 UniRef100_A0A0L7KMJ4 Protein S 100.0 2E-61 4E-67 487.1 0.0 327 173-520 113-496 (579)
13 UniRef100_A0A8T2MTD7 Protein S 100.0 1E-59 1.8E-65 440.0 0.0 328 1-520 1-332 (332)
14 UniRef100_A0A423TSU8 Protein S 100.0 7E-58 1.4E-63 470.0 0.0 332 168-520 223-559 (634)
15 UniRef100_A0A022S0C2 Protein S 100.0 1E-57 2.1E-63 468.7 0.0 322 178-519 101-447 (529)
16 UniRef100_A0A672HWT8 SMG9 nons 100.0 1.3E-57 2.6E-63 423.5 0.0 236 283-520 2-237 (237)
17 UniRef100_A0A6P7FDX8 Protein S 100.0 3.7E-57 7.4E-63 445.3 0.0 309 174-520 104-414 (414)
18 UniRef100_A0A8V5GP29 Nonsense- 100.0 8E-57 1.5E-62 445.8 0.0 338 49-404 28-373 (605)
19 UniRef100_A0A7L3QUS5 Nonsense- 100.0 7.3E-56 1.3E-61 422.4 0.0 373 1-405 1-375 (385)
20 UniRef100_A0A8J6EJD0 Protein S 100.0 3.2E-55 5.9E-61 409.3 0.0 317 1-367 1-323 (326)
21 UniRef100_A0A068RUR5 Protein s 100.0 1E-54 2.2E-60 447.4 0.0 325 174-519 142-468 (493)
22 UniRef100_A0A455AD38 Nonsense- 100.0 1.9E-54 3.8E-60 418.7 0.0 310 1-317 25-336 (381)
23 UniRef100_A0A087G7R9 Protein S 100.0 8.9E-53 1.8E-58 419.2 0.0 320 179-519 63-403 (413)
24 UniRef100_A0A0K0JPL2 BMA-SMG-9 100.0 5.5E-51 1.2E-56 425.3 0.0 333 175-519 154-496 (532)
25 UniRef100_T1J0F4 BTB domain-co 100.0 7.2E-51 1.3E-56 418.9 0.0 410 59-495 583-994 (994)
26 UniRef100_UPI001C202BC2 protei 100.0 7.3E-49 1.3E-54 390.2 0.0 327 173-520 223-607 (607)
27 UniRef100_A0A0B7NRL4 G domain- 100.0 9.8E-49 2E-54 389.1 0.0 288 188-519 84-373 (379)
28 UniRef100_UPI000C811166 protei 100.0 2.7E-48 5E-54 382.7 0.0 242 164-405 188-429 (545)
29 UniRef100_A0A034WE58 Protein S 100.0 7.5E-48 1.6E-53 393.6 0.0 301 170-518 105-416 (448)
30 UniRef100_A0A194QSN6 Protein S 100.0 1.8E-47 3.4E-53 389.7 0.0 325 175-520 460-836 (836)
31 UniRef100_A0A023F8R7 Protein S 100.0 3.6E-46 6.6E-52 351.3 0.0 317 177-520 1-328 (340)
32 UniRef100_N6TCQ9 Protein SMG9 100.0 3.7E-46 6.8E-52 361.0 0.0 320 175-520 93-444 (444)
33 UniRef100_A0A672HX22 SMG9 nons 100.0 1.3E-44 2.5E-50 344.9 0.0 237 267-520 86-327 (327)
34 UniRef100_A0A371IGF0 ERAD-asso 100.0 3.9E-43 7.4E-49 365.4 0.0 322 178-519 49-389 (923)
35 UniRef100_A0A3Q3IQA5 Nonsense- 100.0 8.2E-43 1.5E-48 326.6 0.0 241 1-271 1-244 (318)
36 UniRef100_A0A3B3SPQ3 SMG9 nons 100.0 1.5E-41 2.8E-47 314.7 0.0 262 196-463 13-275 (289)
37 UniRef100_UPI000D630DED protei 100.0 7.3E-41 1.4E-46 321.7 0.0 226 251-520 91-316 (316)
38 UniRef100_A0A1R3GGM3 Zinc fing 100.0 1.3E-40 2.4E-46 354.6 0.0 320 179-519 56-395 (1729)
39 UniRef100_A0A1V9X5D1 Protein S 100.0 3.5E-40 6.7E-46 325.7 0.0 298 175-519 148-452 (453)
40 UniRef100_A0A077Z949 Pre mRNA 100.0 6.3E-40 1.2E-45 331.1 0.0 317 178-518 154-472 (519)
41 UniRef100_A0A7J7L7Z4 Uncharact 100.0 1.3E-39 2.3E-45 340.5 0.0 321 179-519 809-1154(1162)
42 UniRef100_A0A6M2DP61 Protein S 100.0 1.4E-39 2.6E-45 313.7 0.0 321 177-520 1-411 (411)
43 UniRef100_A0A8S2AHT7 Genome as 100.0 6.8E-39 1.3E-44 324.3 0.0 303 179-519 379-700 (708)
44 UniRef100_A0A0D3GC17 gluconoki 100.0 7.9E-39 1.5E-44 324.2 0.0 321 179-519 66-409 (629)
45 UniRef100_A0A8J5D0K8 Protein S 100.0 2.7E-38 5E-44 318.9 0.0 301 169-519 370-672 (676)
46 UniRef100_UPI0018A7C168 protei 100.0 1.2E-37 2.3E-43 290.2 0.0 263 236-520 31-297 (297)
47 UniRef100_L8H048 Protein SMG9 100.0 1.3E-37 2.4E-43 302.5 0.0 299 175-519 130-431 (440)
48 UniRef100_A0A453QFJ9 G domain- 100.0 8.9E-37 1.8E-42 301.9 0.0 252 179-505 122-392 (392)
49 UniRef100_A0A4S2JCT7 Protein k 100.0 2E-36 3.6E-42 313.9 0.0 264 173-487 83-346 (979)
50 UniRef100_A0A0S7KDJ3 Nonsense- 100.0 4.4E-36 8.5E-42 280.8 0.0 227 32-288 12-238 (252)
51 UniRef100_A0A024TLR6 Protein S 100.0 4.8E-36 1E-41 306.2 0.0 285 178-520 145-437 (446)
52 UniRef100_A0A812DEI6 SMG9 n=1 100.0 2.3E-35 4.3E-41 283.3 0.0 217 284-512 3-219 (385)
53 UniRef100_A0A1B6GE88 Protein S 100.0 2.5E-35 4.6E-41 267.5 0.0 229 267-520 1-236 (236)
54 UniRef100_C3XR15 Nonsense-medi 100.0 3.5E-35 6.3E-41 271.2 0.0 187 143-333 67-253 (270)
55 UniRef100_A0A060XDF0 Uncharact 100.0 4.8E-35 9.3E-41 267.5 0.0 188 1-197 4-194 (217)
56 UniRef100_A0A2N9GZM6 Reverse t 100.0 1.1E-34 2E-40 297.8 0.0 322 178-519 141-520 (825)
57 UniRef100_A0A0B6Z1V9 Protein S 100.0 1.3E-34 2.4E-40 271.6 0.0 215 167-383 91-305 (308)
58 UniRef100_A0A1R3GDF6 Agenet do 100.0 1.5E-34 2.8E-40 297.0 0.0 295 179-519 56-365 (835)
59 UniRef100_UPI00207762E2 nonsen 100.0 2.7E-34 4.9E-40 277.4 0.0 193 177-369 161-356 (401)
60 UniRef100_A0A0C9M025 Protein S 100.0 3.2E-34 6E-40 309.4 0.0 293 183-518 80-374 (1716)
61 UniRef100_A0A087YJR9 VLIG-type 100.0 2.6E-34 6.1E-40 339.8 0.0 272 178-519 1067-1362(2146)
62 UniRef100_UPI001884D99D protei 100.0 5.8E-34 1.1E-39 269.4 0.0 258 171-436 59-316 (330)
63 UniRef100_A0A2G9RBF7 VLIG-type 100.0 5.4E-34 1.2E-39 332.6 0.0 272 178-519 1592-1887(2586)
64 UniRef100_A0A2Z6MRU6 Uncharact 100.0 1.4E-33 2.5E-39 269.7 0.0 261 178-519 51-323 (331)
65 UniRef100_A0A1B8Y3U7 VLIG-type 100.0 4E-33 8.2E-39 318.0 0.0 272 178-519 1072-1367(2103)
66 UniRef100_A0A060XQH1 Interfero 100.0 8.5E-33 1.8E-38 322.5 0.0 271 178-519 1485-1778(2708)
67 UniRef100_U4UDY1 PPIase cyclop 99.9 4.1E-32 7.6E-38 276.6 0.0 255 175-438 417-703 (720)
68 UniRef100_A0A6A4VPD4 Protein S 99.9 4.8E-32 9E-38 258.5 0.0 260 173-438 65-324 (329)
69 UniRef100_A0A1Y1IK83 Putative 99.9 6.9E-32 1.3E-37 276.7 0.0 341 178-519 63-594 (602)
70 UniRef100_UPI0021C2CE10 nonsen 99.9 8.3E-32 1.5E-37 257.5 0.0 216 173-394 92-355 (358)
71 UniRef100_A0A0V0S0J0 Protein S 99.9 1.1E-31 2.1E-37 267.8 0.0 317 178-518 207-525 (532)
72 UniRef100_A0A444URU4 Interfero 99.9 1.8E-31 3.8E-37 301.5 0.0 272 178-519 568-863 (1575)
73 UniRef100_A0A7I8VUE1 DgyrCDS84 99.9 2.9E-31 5.4E-37 259.2 0.0 317 174-520 119-438 (438)
74 UniRef100_A0A0S7KE40 SMG9 (Fra 99.9 3.4E-31 6.3E-37 239.0 0.0 180 1-196 1-184 (205)
75 UniRef100_A0A194PHS5 Protein S 99.9 3.9E-31 7.2E-37 237.8 0.0 193 312-520 1-205 (205)
76 UniRef100_A0A6J2J007 Protein S 99.9 5.4E-31 1E-36 241.7 0.0 238 1-330 1-240 (241)
77 UniRef100_UPI001A7E94A8 protei 99.9 5.5E-31 1E-36 236.3 0.0 154 367-520 22-207 (207)
78 UniRef100_A0A3B0J7M2 Blast:Pro 99.9 5.5E-31 1.1E-36 268.2 0.0 268 171-501 149-434 (486)
79 UniRef100_A0A1I7UX75 Protein S 99.9 9.5E-31 1.9E-36 261.5 0.0 302 175-518 59-362 (386)
80 UniRef100_A0A2U9BAJ0 Putative 99.9 1.1E-30 2.2E-36 294.1 0.0 270 178-519 1083-1376(2145)
81 UniRef100_A0A151SD51 Protein S 99.9 1.3E-30 2.6E-36 248.2 0.0 196 178-373 72-284 (284)
82 UniRef100_A0A8J7NY31 GVIN1 GTP 99.9 1.9E-30 4.1E-36 299.7 0.0 272 178-519 588-883 (1735)
83 UniRef100_A0A2D4IE60 Uncharact 99.9 2.3E-30 4.3E-36 238.6 0.0 175 177-351 1-216 (240)
84 UniRef100_A0A060Z7F6 VLIG-type 99.9 2.3E-30 4.8E-36 294.5 0.0 270 178-519 970-1263(1747)
85 UniRef100_A0A367KS25 chitin sy 99.9 3E-30 5.5E-36 273.7 0.0 294 186-518 1000-1295(1302)
86 UniRef100_UPI0006D72D13 protei 99.9 3.1E-30 5.8E-36 225.7 0.0 168 61-228 1-168 (174)
87 UniRef100_A0A2I4D185 Up-regula 99.9 4.5E-30 9.5E-36 292.2 0.0 271 178-519 807-1100(1686)
88 UniRef100_A0A452I5U0 VLIG-type 99.9 7.7E-30 1.5E-35 282.3 0.0 270 178-517 775-1068(1374)
89 UniRef100_UPI000FFBAE4B protei 99.9 2.8E-29 5.2E-35 230.3 0.0 144 165-342 11-154 (246)
90 UniRef100_A0A7R9A3A9 Protein S 99.9 3.5E-29 6.4E-35 236.2 0.0 205 172-388 89-294 (310)
91 UniRef100_A0A3B3S4Y5 VLIG-type 99.9 3.3E-29 6.9E-35 268.2 0.0 268 178-517 330-621 (679)
92 UniRef100_A0A6A7FS20 Protein S 99.9 4.1E-29 7.9E-35 255.6 0.0 314 168-520 254-578 (578)
93 UniRef100_A0A3N0YFN8 Interfero 99.9 6.3E-29 1.3E-34 285.8 0.0 271 178-519 1582-1875(2573)
94 UniRef100_A0A8J1LSY5 Uncharact 99.9 7.6E-29 1.5E-34 285.3 0.0 271 178-519 1930-2223(2914)
95 UniRef100_A0A2F0BDB1 Nonsense- 99.9 8.6E-29 1.6E-34 224.1 0.0 173 101-273 1-173 (205)
96 UniRef100_A0A2G8L1P6 Protein S 99.9 1.3E-28 2.3E-34 236.0 0.0 174 170-343 158-331 (342)
97 UniRef100_A0A3P8Y460 Protein-t 99.9 1.4E-28 2.7E-34 279.5 0.0 270 178-519 2612-2904(3609)
98 UniRef100_A0A0K0D064 Protein S 99.9 1.9E-28 3.6E-34 242.0 0.0 309 173-518 108-421 (422)
99 UniRef100_A0A8T2MSB7 Interfero 99.9 2.5E-28 4.8E-34 271.3 0.0 272 178-519 1092-1387(1751)
100 UniRef100_A0A182HPF6 Uncharact 99.9 2.6E-28 5.2E-34 246.9 0.0 279 175-518 100-385 (413)
101 UniRef100_A0A8S1J1X1 Protein S 99.9 3.8E-28 6.9E-34 237.2 0.0 316 180-518 75-412 (423)
102 UniRef100_A0A2J8RT98 Nonsense- 99.9 3.7E-28 7E-34 211.8 0.0 141 132-272 3-143 (157)
103 UniRef100_A0A813YY76 Protein S 99.9 4.3E-28 8.1E-34 246.8 0.0 325 169-519 211-613 (617)
104 UniRef100_A0A822G5R2 Nonsense- 99.9 6.1E-28 1.1E-33 219.7 0.0 181 51-248 11-194 (228)
105 UniRef100_A0A5F8H0N0 VLIG-type 99.9 8.6E-28 1.7E-33 251.9 0.0 270 178-517 355-648 (659)
106 UniRef100_A0A2I4C9M8 Interfero 99.9 9.9E-28 1.9E-33 257.5 0.0 269 178-519 387-680 (1045)
107 UniRef100_UPI000CE63913 LOW QU 99.9 1.5E-27 2.9E-33 251.2 0.0 272 178-519 74-368 (740)
108 UniRef100_A0A803K8D7 VLIG-type 99.9 1.6E-27 3.1E-33 264.3 0.0 272 178-519 669-964 (1702)
109 UniRef100_A0A151ZH77 Protein S 99.9 2.1E-27 4.1E-33 249.6 0.0 336 177-519 140-561 (669)
110 UniRef100_A0A6A5CCN4 Protein S 99.9 2.9E-27 5.6E-33 243.3 0.0 278 201-519 298-603 (611)
111 UniRef100_A0A401Q1A0 VLIG-type 99.9 2.5E-27 5.7E-33 281.4 0.0 272 178-519 1276-1572(2308)
112 UniRef100_A0A3P9PR10 VLIG-type 99.9 3.4E-27 6.5E-33 255.2 0.0 272 178-519 619-913 (1086)
113 UniRef100_A0A6P8VBS1 Interfero 99.9 3.6E-27 6.9E-33 246.4 0.0 272 178-519 238-532 (717)
114 UniRef100_A0A0K2V0L5 Protein S 99.9 4.1E-27 7.5E-33 233.7 0.0 316 171-510 100-441 (495)
115 UniRef100_UPI000644A02D hypoth 99.9 4.9E-27 9.1E-33 233.6 0.0 300 179-519 189-500 (506)
116 UniRef100_A0A016U1E3 Protein S 99.9 5.1E-27 9.5E-33 230.6 0.0 314 175-518 110-431 (432)
RHD3- 99.9 6.1E-27 1.1E-32 233.6 0.0 284 179-519 209-521 (522)
118 UniRef100_UPI00073841B4 LOW QU 99.9 8.1E-27 1.5E-32 211.4 0.0 171 200-383 45-217 (219)
119 UniRef100_A0A1Y1V8S5 G domain- 99.9 8.2E-27 1.5E-32 234.1 0.0 305 177-508 120-469 (493)
120 UniRef100_A0A6B2LDD5 Protein S 99.9 8.6E-27 1.6E-32 217.3 0.0 219 178-397 19-268 (273)
121 UniRef100_UPI0011CF5796 up-reg 99.9 1.1E-26 2.1E-32 226.8 0.0 272 178-519 75-370 (416)
122 UniRef100_A0A7C9DN91 Protein S 99.9 1.2E-26 2.3E-32 209.5 0.0 178 196-373 2-198 (199)
123 UniRef100_A0A3P9B9W3 Si:dkey-8 99.9 1.6E-26 3.1E-32 249.5 0.0 268 178-518 774-1066(1104)
124 UniRef100_A0A8C3FBN6 VLIG-type 99.9 1.6E-26 3.1E-32 251.1 0.0 272 178-519 569-864 (1294)
125 UniRef100_A0A0N4UQU4 Protein S 99.9 1.8E-26 3.4E-32 219.0 0.0 253 249-518 8-269 (276)
126 UniRef100_A0A2S2N5G1 Protein S 99.9 1.9E-26 3.5E-32 194.9 0.0 132 250-382 2-133 (134)
127 UniRef100_A0A813SBM4 Protein S 99.9 2.6E-26 4.8E-32 238.4 0.0 221 176-405 266-546 (765)
128 UniRef100_A0A1D1XV50 Protein S 99.9 2.4E-26 4.8E-32 223.4 0.0 161 178-338 92-258 (279)
129 UniRef100_A0A0W8CFH0 SMG9 prot 99.9 2.8E-26 5.5E-32 242.6 0.0 323 169-516 321-675 (681)
130 UniRef100_UPI0013AF787C interf 99.9 3.2E-26 6E-32 228.1 0.0 270 178-519 98-391 (477)
131 UniRef100_A0A6V7V7K7 Uncharact 99.9 3.6E-26 6.7E-32 226.0 0.0 300 174-509 81-384 (470)
132 UniRef100_A0A4W6FFN2 VLIG-type 99.9 3.4E-26 7.4E-32 260.7 0.0 271 178-518 701-994 (1355)
133 UniRef100_A0A183BWC9 Uncharact 99.9 8E-26 1.5E-31 227.8 0.0 289 175-509 120-410 (550)
134 UniRef100_A0A1U7ZQC5 Protein R 99.9 1.3E-25 2.8E-31 248.5 0.0 248 177-512 45-318 (834)
135 UniRef100_A0A0S7KDM7 SMG9 (Fra 99.9 1.8E-25 3.3E-31 192.5 0.0 120 249-368 2-121 (140)
136 UniRef100_A0A059LSD1 Root hair 99.9 1.7E-25 3.4E-31 227.0 0.0 248 177-512 27-299 (408)
137 UniRef100_A0A081B4E3 Protein S 99.9 1.8E-25 3.7E-31 231.9 0.0 326 167-516 152-521 (527)
138 UniRef100_A0A0A9JYG4 Uncharact 99.9 1.9E-25 3.9E-31 209.9 0.0 174 326-519 12-197 (205)
RHD3- 99.9 1.9E-25 4.1E-31 249.6 0.0 249 176-512 188-461 (1148)
140 UniRef100_A0A6G0HDJ4 Interfero 99.9 2.7E-25 5.3E-31 225.0 0.0 259 178-508 201-482 (484)
141 UniRef100_A0A8S1HNA0 Sugar pho 99.9 3.9E-25 7.2E-31 228.8 0.0 284 173-506 121-406 (795)
142 UniRef100_A0A068Y5F0 Protein S 99.8 5.5E-25 1.2E-30 241.7 0.0 203 141-344 68-298 (800)
143 UniRef100_A0A1S8VQJ0 Protein S 99.8 7.5E-25 1.4E-30 231.0 0.0 323 177-513 311-716 (765)
144 UniRef100_UPI000E1BB85E LOW QU 99.8 9E-25 1.7E-30 190.6 0.0 163 304-520 1-163 (163)
145 UniRef100_A0A060Z6H1 VLIG-type 99.8 8.9E-25 1.7E-30 236.5 0.0 270 178-519 505-797 (1218)
146 UniRef100_A0A177ATE7 Protein S 99.8 9.6E-25 1.8E-30 216.1 0.0 322 177-519 119-465 (466)
147 UniRef100_A0A818NUQ7 Uncharact 99.8 9.7E-25 1.8E-30 226.7 0.0 324 170-520 422-828 (828)
148 UniRef100_A0A0V1A202 Nuclear e 99.8 1E-24 1.9E-30 233.9 0.0 251 178-439 214-465 (1402)
149 UniRef100_A0A6J8A338 VLIG-type 99.8 9.3E-25 2.1E-30 261.5 0.0 274 177-519 1087-1379(2281)
150 UniRef100_A0A4W5L2Y0 VLIG-type 99.8 1.2E-24 2.3E-30 230.7 0.0 268 179-518 418-709 (813)
151 UniRef100_A0A3B3VS00 VLIG-type 99.8 1.2E-24 2.4E-30 231.9 0.0 268 178-519 286-575 (744)
152 UniRef100_A0A0D8XXH7 Protein S 99.8 1.3E-24 2.4E-30 219.3 0.0 298 173-496 180-480 (576)
153 UniRef100_A0A974C1I0 VLIG-type 99.8 1.5E-24 2.7E-30 219.1 0.0 269 178-519 225-516 (579)
RHD3- 99.8 1.6E-24 3.2E-30 225.5 0.0 249 175-512 14-288 (513)
155 UniRef100_A0A7S0GQ65 Protein S 99.8 1.9E-24 3.5E-30 217.6 0.0 309 178-519 128-458 (556)
156 UniRef100_A0A1D6NK24 Protein R 99.8 2.2E-24 4.6E-30 234.4 0.0 248 177-512 33-305 (789)
157 UniRef100_A0A163IXF8 Protein S 99.8 2.6E-24 4.8E-30 208.7 0.0 194 180-382 107-303 (378)
158 UniRef100_A0A210R4J2 Protein S 99.8 2.7E-24 5.2E-30 180.6 0.0 110 408-520 1-110 (110)
159 UniRef100_F4PNL6 Thioredoxin d 99.8 3.2E-24 5.9E-30 220.9 0.0 336 177-519 346-723 (730)
160 UniRef100_A0A061GC38 Protein R 99.8 3E-24 6.2E-30 234.7 0.0 250 175-512 69-343 (881)
161 UniRef100_A0A1D1W8V3 Protein S 99.8 3.7E-24 6.8E-30 215.8 0.0 315 175-518 220-556 (563)
162 UniRef100_A0A814EC78 G-protein 99.8 4.2E-24 7.8E-30 229.5 0.0 312 174-511 235-618 (1415)
163 UniRef100_A0A443QUY9 SMG9-like 99.8 4E-24 8E-30 217.5 0.0 158 177-342 159-328 (429)
RHD3- 99.8 3.9E-24 8.1E-30 222.4 0.0 249 177-512 20-292 (490)
165 UniRef100_A0A4Z2FL19 Interfero 99.8 4.4E-24 8.1E-30 206.0 0.0 246 202-519 6-266 (342)
166 UniRef100_UPI000CE63145 up-reg 99.8 6.6E-24 1.2E-29 222.2 0.0 262 188-519 216-496 (910)
167 UniRef100_A0A444UXS4 Interfero 99.8 5.6E-24 1.2E-29 251.9 0.0 270 178-519 1460-1751(2438)
168 UniRef100_A0A061REC9 Protein s 99.8 6.5E-24 1.3E-29 214.8 0.0 304 179-516 70-411 (430)
169 UniRef100_R1E1J4 Protein SMG9 99.8 8.2E-24 1.5E-29 196.7 0.0 227 188-518 5-251 (259)
170 UniRef100_A0A0P7VN23 VLIG-type 99.8 7.8E-24 1.6E-29 240.7 0.0 270 178-519 525-813 (1526)
171 UniRef100_A0A6F9ATC7 VLIG-type 99.8 1.1E-23 2.1E-29 227.3 0.0 270 178-518 347-640 (1044)
172 UniRef100_A0A0B2VPV6 Protein S 99.8 1.4E-23 2.6E-29 203.4 0.0 168 176-343 154-328 (347)
173 UniRef100_A0A8J1XSB8 Ofus.G072 99.8 1.5E-23 2.8E-29 203.9 0.0 164 95-277 124-287 (335)
174 UniRef100_A0A915KI62 Uncharact 99.8 2.7E-23 5E-29 201.8 0.0 195 303-520 183-377 (377)
175 UniRef100_A0A091CY56 Interfero 99.8 2.5E-23 5.3E-29 246.8 0.0 273 178-519 1849-2140(2912)
176 UniRef100_A0A0L0HK39 G domain- 99.8 3E-23 5.4E-29 208.1 0.0 304 179-519 143-510 (520)
177 UniRef100_A0A6J0SF58 Interfero 99.8 3.1E-23 5.8E-29 214.7 0.0 245 205-519 2-262 (617)
178 UniRef100_A0A2A2JCR6 Protein S 99.8 3.4E-23 6.3E-29 205.8 0.0 301 174-504 126-433 (473)
179 UniRef100_UPI001643F58A LOW QU 99.8 3.6E-23 6.6E-29 222.5 0.0 268 178-518 866-1158(1397)
180 UniRef100_UPI001953008B interf 99.8 3.6E-23 6.9E-29 228.5 0.0 269 178-518 1414-1706(1747)
th 99.8 3.7E-23 7E-29 219.0 0.0 288 192-494 589-891 (891)
182 UniRef100_A0A3P9A584 VLIG-type 99.8 5.7E-23 1.2E-28 236.8 0.0 270 178-519 917-1208(1905)
183 UniRef100_A0A061R475 Protein r 99.8 5.5E-23 1.2E-28 230.8 0.0 254 175-512 11-288 (872)
184 UniRef100_UPI00165A93F8 interf 99.8 7E-23 1.3E-28 225.3 0.0 270 178-519 1076-1369(2079)
185 UniRef100_A0A8T2P7T9 Interfero 99.8 8.8E-23 1.6E-28 221.4 0.0 272 178-519 1145-1441(1645)
186 UniRef100_A0A0A1UC35 Protein S 99.8 7.3E-23 1.7E-28 232.8 0.0 255 175-512 84-360 (940)
187 UniRef100_A0A8C4SH84 Interfero 99.8 1.1E-22 2.3E-28 226.2 0.0 269 178-519 667-959 (1082)
188 UniRef100_A0A4C1V7S5 Protein S 99.8 1.5E-22 2.7E-28 203.0 0.0 160 170-332 257-459 (513)
189 UniRef100_UPI001CF7D2A3 LOW QU 99.8 1.7E-22 3.2E-28 222.4 0.0 271 178-518 1369-1663(2368)
190 UniRef100_A0A915DL40 Uncharact 99.8 2.3E-22 4.3E-28 184.0 0.0 204 177-411 1-205 (224)
191 UniRef100_A0A6A3D796 Copine fa 99.8 2.8E-22 5.3E-28 190.3 0.0 194 179-397 46-258 (275)
192 UniRef100_A0A1B8Y109 VLIG-type 99.8 2.7E-22 5.8E-28 236.8 0.0 271 178-519 1656-1945(2643)
193 UniRef100_A0A915G513 Uncharact 99.8 3.3E-22 6.1E-28 216.7 0.0 294 175-505 833-1131(1597)
194 UniRef100_A0A2G8JWD9 Putative 99.8 4.5E-22 9.4E-28 215.1 0.0 269 178-518 350-637 (688)
195 UniRef100_UPI001E1C60EC LOW QU 99.8 5.1E-22 9.4E-28 216.4 0.0 270 178-519 666-958 (1770)
196 UniRef100_A0A1U8C3H7 LOW QUALI 99.8 4.4E-22 9.5E-28 234.9 0.0 272 178-519 1408-1698(2408)
197 UniRef100_UPI00211EDD12 nonsen 99.8 6.2E-22 1.1E-27 202.1 0.0 172 178-349 161-375 (625)
198 UniRef100_A0A0N4TCZ7 Uncharact 99.8 6.5E-22 1.2E-27 187.1 0.0 258 224-518 2-271 (278)
199 UniRef100_UPI00105530E5 interf 99.8 6.7E-22 1.2E-27 219.4 0.0 270 178-519 1418-1709(2441)
200 UniRef100_A0A8B7K0A9 Interfero 99.8 6.5E-22 1.4E-27 235.2 0.0 273 178-519 1308-1599(2290)
201 UniRef100_UPI0023022E92 LOW QU 99.8 8.7E-22 1.6E-27 216.1 0.0 271 178-519 1781-2074(2079)
202 UniRef100_A0A2M4BQT8 Protein S 99.8 9.2E-22 1.8E-27 195.9 0.0 270 176-518 114-394 (411)
203 UniRef100_A0A131XAJ1 Putative 99.8 9.6E-22 1.8E-27 173.4 0.0 168 302-483 1-168 (170)
204 UniRef100_A0A267GVL1 VLIG-type 99.8 9E-22 1.9E-27 223.3 0.0 274 178-519 725-1017(1394)
205 UniRef100_A0A2D0S0W5 Interfero 99.8 1E-21 2.1E-27 228.4 0.0 270 178-519 1204-1492(2420)
206 UniRef100_A0A103XNZ8 Root hair 99.8 1.2E-21 2.3E-27 211.4 0.0 248 177-512 17-289 (825)
207 UniRef100_A0A3B4D326 VLIG-type 99.8 1.3E-21 2.4E-27 209.3 0.0 273 177-519 599-894 (1208)
208 UniRef100_UPI000497F436 interf 99.7 1.7E-21 3.1E-27 214.1 0.0 270 178-519 569-863 (2114)
209 UniRef100_UPI0022203686 unchar 99.7 1.7E-21 3.1E-27 205.0 0.0 209 172-386 443-674 (926)
210 UniRef100_A0A1S3SM16 Up-regula 99.7 1.6E-21 3.2E-27 219.0 0.0 267 178-518 1057-1345(1604)
211 UniRef100_UPI00129DE30E protei 99.7 1.8E-21 3.3E-27 180.1 0.0 152 58-229 86-237 (242)
212 UniRef100_A0A556V365 Kinesin-l 99.7 1.9E-21 3.5E-27 214.0 0.0 270 178-517 1896-2188(2195)
213 UniRef100_A0A261C3N8 Uncharact 99.7 2.1E-21 3.8E-27 183.2 0.0 211 177-401 1-211 (282)
RHD3- 99.7 2E-21 3.9E-27 210.2 0.0 248 176-512 26-299 (923)
215 UniRef100_UPI0015A7A7AE interf 99.7 2.1E-21 4.1E-27 216.6 0.0 274 178-519 737-1029(1474)
216 UniRef100_UPI0015B235D2 interf 99.7 2.3E-21 4.3E-27 216.9 0.0 272 178-519 1367-1663(2372)
217 UniRef100_A0A060Y9C4 VLIG-type 99.7 3.8E-21 7E-27 208.2 0.0 269 178-518 823-1114(1487)
218 UniRef100_A0A8M1KCG0 Interfero 99.7 3.9E-21 7.1E-27 211.1 0.0 270 178-519 619-914 (2056)
219 UniRef100_A0A085N5I2 Uncharact 99.7 3.8E-21 7.2E-27 207.9 0.0 305 171-499 156-462 (1139)
220 UniRef100_A0A6J2VQD1 Interfero 99.7 3.8E-21 7.4E-27 213.9 0.0 272 178-519 756-1047(1349)
221 UniRef100_UPI001A7E4229 unchar 99.7 4.1E-21 7.4E-27 212.8 0.0 248 201-519 1629-1890(2585)
222 UniRef100_A0A6S7GCA8 Interfero 99.7 3.6E-21 7.5E-27 223.1 0.0 265 178-518 871-1160(1890)
223 UniRef100_A0A8T0BF36 VLIG-type 99.7 4.2E-21 7.7E-27 205.0 0.0 270 178-519 415-709 (1148)
224 UniRef100_A0A3N0XPW1 Interfero 99.7 4E-21 8E-27 216.8 0.0 270 178-519 873-1161(1440)
225 UniRef100_A0A3N0Y9F5 Interfero 99.7 4E-21 8E-27 216.8 0.0 270 178-519 556-844 (1620)
226 UniRef100_A0A6J8CYQ9 VLIG-type 99.7 4.2E-21 8.4E-27 213.7 0.0 276 176-519 759-1052(1184)
227 UniRef100_A0A6J2WY30 Interfero 99.7 4.9E-21 1E-26 227.2 0.0 270 178-519 2049-2337(3033)
228 UniRef100_A0A8J4TXY3 Up-regula 99.7 6.2E-21 1.1E-26 212.4 0.0 272 178-519 2100-2394(3048)
229 UniRef100_A0A803JF09 Uncharact 99.7 6.6E-21 1.2E-26 212.5 0.0 268 178-519 657-947 (3185)
230 UniRef100_A0A8J1LYU4 LOW QUALI 99.7 6.9E-21 1.3E-26 210.8 0.0 272 178-519 1529-1824(2519)
231 UniRef100_A0A087Y2A4 VLIG-type 99.7 7.1E-21 1.4E-26 214.7 0.0 270 178-519 739-1027(1334)
232 UniRef100_A0A6P6J3J0 Interfero 99.7 7.8E-21 1.5E-26 211.2 0.0 270 178-518 1021-1311(1367)
233 UniRef100_A0A8J1LSX3 Uncharact 99.7 9.3E-21 1.7E-26 212.7 0.0 268 178-519 540-830 (4202)
234 UniRef100_UPI001E1D2B84 protei 99.7 1E-20 1.9E-26 171.5 0.0 186 61-271 13-203 (205)
235 UniRef100_A0A1S3N5W4 Prostagla 99.7 1.1E-20 2E-26 209.4 0.0 269 178-518 1541-1832(2536)
236 UniRef100_A0A4D9DFZ3 Aminotran 99.7 1E-20 2E-26 209.1 0.0 237 178-484 1044-1310(1324)
237 UniRef100_A0A2G8JZK7 Putative 99.7 1.1E-20 2.1E-26 197.6 0.0 272 178-518 158-448 (621)
238 UniRef100_A0A078FDR7 Protein R 99.7 1.3E-20 2.4E-26 204.2 0.0 248 176-512 393-666 (1182)
239 UniRef100_A0A084WKZ2 AGAP00503 99.7 1.6E-20 3.1E-26 186.3 0.0 279 176-518 86-370 (397)
240 UniRef100_A0A5A9NBU7 Interfero 99.7 1.6E-20 3.2E-26 218.3 0.0 270 178-519 1551-1839(2586)
241 UniRef100_A0A803JF09 Uncharact 99.7 1.8E-20 3.4E-26 209.1 0.0 268 178-519 2208-2498(3185)
242 UniRef100_A0A267EQ35 VLIG-type 99.7 2E-20 4E-26 199.4 0.0 263 189-519 11-286 (691)
243 UniRef100_A0A8R1YCD1 Smg-9 n=2 99.7 2.2E-20 4E-26 203.1 0.0 325 175-505 456-832 (1567)
244 UniRef100_A0A8J1LSX3 Uncharact 99.7 2.5E-20 4.6E-26 209.5 0.0 268 178-519 3225-3515(4202)
RHD3- 99.7 2.6E-20 4.8E-26 203.9 0.0 249 176-512 7-280 (1316)
246 UniRef100_UPI000DF15C9A interf 99.7 2.7E-20 5E-26 191.0 0.0 251 178-498 269-544 (643)
247 UniRef100_UPI001F07DDA6 protei 99.7 3E-20 5.5E-26 163.2 0.0 128 205-338 2-130 (162)
248 UniRef100_A0A3N0XKU7 Interfero 99.7 3.6E-20 7.3E-26 212.9 0.0 270 178-519 1129-1417(2124)
249 UniRef100_A0A261Y7L8 Protein S 99.7 4E-20 7.4E-26 182.6 0.0 291 179-515 102-408 (420)
250 UniRef100_A0A8B6BYU2 VLIG-type 99.7 3.7E-20 7.4E-26 207.5 0.0 274 178-519 327-618 (1347)
251 UniRef100_A0A6M2E1P3 Putative 99.7 4.1E-20 7.6E-26 152.8 0.0 105 302-409 1-105 (110)
252 UniRef100_A0A8S3CFF6 Uncharact 99.7 4.4E-20 8.1E-26 181.8 0.0 217 174-403 112-349 (407)
253 UniRef100_D3BUJ6 Protein serin 99.7 4.5E-20 8.2E-26 201.7 0.0 264 178-519 1463-1726(1733)
254 UniRef100_UPI0014029B70 unchar 99.7 4.6E-20 8.4E-26 206.7 0.0 273 178-518 2386-2679(3581)
255 UniRef100_A0A060X666 VLIG-type 99.7 4.5E-20 9.2E-26 213.3 0.0 270 178-519 1042-1330(2058)
256 UniRef100_A0A0S7LQ99 GVIN1 (Fr 99.7 5.4E-20 1.1E-25 197.6 0.0 270 178-519 147-435 (768)
257 UniRef100_A0A3Q2D6N9 VLIG-type 99.7 5.7E-20 1.1E-25 190.5 0.0 209 178-438 277-508 (561)
258 UniRef100_A0A553QL00 VLIG-type 99.7 5.8E-20 1.1E-25 202.6 0.0 273 178-519 409-700 (1176)
259 UniRef100_UPI001AADAB52 up-reg 99.7 6.2E-20 1.2E-25 201.2 0.0 266 178-515 805-1093(1287)
260 UniRef100_B3RI59 Uncharacteriz 99.7 7.8E-20 1.4E-25 165.1 0.0 193 301-496 2-195 (196)
261 UniRef100_A0A0H5QIZ7 Protein S 99.7 7.5E-20 1.4E-25 182.9 0.0 298 177-519 86-388 (395)
262 UniRef100_UPI001B7FFFED protei 99.7 8.1E-20 1.5E-25 182.4 0.0 170 52-229 257-461 (466)
263 UniRef100_A0A7J6AE23 VLIG-type 99.7 8.3E-20 1.6E-25 206.7 0.0 270 178-519 872-1160(1702)
264 UniRef100_A0A7G3AV56 Protein s 99.7 9.3E-20 1.7E-25 179.7 0.0 278 176-518 102-382 (409)
265 UniRef100_A0A3B1IVI2 VLIG-type 99.7 9.1E-20 1.8E-25 202.8 0.0 269 178-518 798-1085(1330)
RHD3- 99.7 9.3E-20 1.8E-25 192.2 0.0 248 177-512 4-276 (624)
267 UniRef100_A0A0M3QZR0 CG3857 (F 99.7 1E-19 1.9E-25 173.1 0.0 245 176-503 3-261 (296)
268 UniRef100_UPI00142555F5 interf 99.7 9.4E-20 1.9E-25 207.0 0.0 264 178-518 641-930 (1630)
269 UniRef100_A0A565B1W6 Protein R 99.7 1E-19 1.9E-25 197.2 0.0 250 174-512 399-674 (1189)
270 UniRef100_A0A3Q3LB49 Interfero 99.7 1.2E-19 2.3E-25 209.1 0.0 270 178-519 1544-1832(2565)
271 UniRef100_UPI000E40DDEE protei 99.7 1.3E-19 2.4E-25 146.6 0.0 77 444-520 20-96 (96)
272 UniRef100_A0A7J6D6Y9 VLIG-type 99.7 1.3E-19 2.5E-25 196.9 0.0 269 178-519 829-1120(1514)
273 UniRef100_A0A6A6M2B6 G domain- 99.7 1.3E-19 2.5E-25 172.8 0.0 110 178-287 58-168 (274)
274 UniRef100_A0A061IE60 Interfero 99.7 1.3E-19 2.6E-25 210.1 0.0 272 178-518 1618-1908(2746)
275 UniRef100_A0A7S4FBX1 Protein S 99.7 1.5E-19 2.8E-25 157.0 0.0 144 203-346 1-148 (149)
276 UniRef100_A0A3B4DZL8 Interfero 99.7 1.5E-19 2.9E-25 210.5 0.0 270 178-519 2086-2374(3107)
277 UniRef100_A0A010QKB1 Protein S 99.7 1.3E-19 2.9E-25 210.7 0.0 256 175-512 273-560 (1300)
278 UniRef100_A0A1I8GK51 VLIG-type 99.7 1.5E-19 3.1E-25 209.3 0.0 266 179-517 869-1156(1893)
279 UniRef100_A0A914JRN4 Uncharact 99.7 2.3E-19 4.2E-25 185.0 0.0 304 177-508 279-654 (662)
280 UniRef100_UPI001E1D4847 interf 99.6 2E-19 4.5E-25 214.8 0.0 274 178-518 896-1192(2032)
281 UniRef100_A0A1I7RPS7 (pine woo 99.6 3E-19 5.4E-25 181.8 0.0 252 203-486 66-319 (567)
282 UniRef100_A0A8J5A7I6 Interfero 99.6 3.6E-19 7.2E-25 207.9 0.0 274 178-519 1626-1918(2801)
283 UniRef100_A0A811K5I1 Sugar pho 99.6 4.9E-19 9.1E-25 187.3 0.0 239 178-432 41-280 (929)
284 UniRef100_A0A8X7X7B6 GVIN1 GTP 99.6 5E-19 9.8E-25 197.4 0.0 276 178-519 422-718 (1464)
285 UniRef100_A0A7R8HEK1 SMG9 n=1 99.6 5.3E-19 9.8E-25 174.8 0.0 182 172-371 143-332 (414)
286 UniRef100_A0A8S3RHX1 Interfero 99.6 5.2E-19 1E-24 180.5 0.0 272 178-518 167-457 (474)
287 UniRef100_A0A1V4K2X3 Uncharact 99.6 5.5E-19 1E-24 149.7 0.0 115 205-331 2-116 (117)
288 UniRef100_A0A813WG44 VLIG-type 99.6 5.3E-19 1.2E-24 211.5 0.0 262 177-517 1151-1426(2447)
289 UniRef100_A0A058Z096 Protein S 99.6 7.1E-19 1.6E-24 201.1 0.0 254 177-512 188-462 (1057)
290 UniRef100_A0A813VHJ1 VLIG-type 99.6 8.3E-19 1.7E-24 206.3 0.0 261 177-517 952-1227(2293)
291 UniRef100_UPI002307F3B5 nonsen 99.6 9.6E-19 1.8E-24 165.2 0.0 155 180-342 3-170 (273)
292 UniRef100_UPI001E1D3F92 interf 99.6 8.9E-19 2E-24 203.8 0.0 270 179-518 361-654 (1396)
293 UniRef100_A0A5E4CR75 VLIG-type 99.6 1E-18 2E-24 193.8 0.0 268 178-517 580-869 (1215)
RHD3- 99.6 9.7E-19 2E-24 202.6 0.0 246 178-512 198-466 (1826)
295 UniRef100_UPI001C3C8DD0 up-reg 99.6 1.2E-18 2.2E-24 184.7 0.0 269 178-517 598-889 (951)
296 UniRef100_A0A401PYH5 Uncharact 99.6 1.6E-18 2.9E-24 161.5 0.0 109 331-439 13-121 (244)
297 UniRef100_A0A183ICS9 Protein S 99.6 2E-18 3.6E-24 149.7 0.0 138 222-367 2-139 (145)
298 UniRef100_UPI001F08709B interf 99.6 2E-18 3.7E-24 191.6 0.0 270 178-519 1301-1592(2297)
299 UniRef100_UPI001E8CBE7A up-reg 99.6 2.1E-18 3.8E-24 185.9 0.0 228 178-475 962-1212(1213)
300 UniRef100_A0A0B0PW33 Root hair 99.6 2E-18 3.9E-24 174.7 0.0 247 177-512 4-276 (427)
RHD3- 99.6 2.1E-18 4E-24 181.3 0.0 249 176-512 2-275 (623)
302 UniRef100_F2TX72 Protein SMG9 99.6 2.3E-18 4.1E-24 176.3 0.0 218 177-396 219-444 (590)
303 UniRef100_M7CIE8 Up-regulator 99.6 2.3E-18 4.2E-24 187.8 0.0 251 178-519 954-1217(1512)
304 UniRef100_A0A250WPI7 Protein S 99.6 2.3E-18 4.2E-24 173.0 0.0 257 247-512 146-464 (480)
305 UniRef100_A0A1J4JSN9 Protein S 99.6 2.3E-18 4.8E-24 191.0 0.0 248 182-512 3-271 (822)
306 UniRef100_UPI00072E74D2 interf 99.6 2.6E-18 5.2E-24 192.7 0.0 269 178-518 872-1159(1389)
RHD3- 99.6 2.8E-18 5.3E-24 158.8 0.0 169 177-393 6-195 (213)
308 UniRef100_A0A8B6HMX7 VLIG-type 99.6 3.2E-18 5.9E-24 188.5 0.0 276 176-518 1010-1303(1864)
309 UniRef100_A0A3B1JQG8 VLIG-type 99.6 3.3E-18 6.4E-24 193.3 0.0 270 178-519 779-1067(1754)
310 UniRef100_F6YIT4 SMG9 nonsense 99.6 3.9E-18 7.1E-24 143.2 0.0 81 358-438 34-114 (118)
311 UniRef100_UPI00106965F0 interf 99.6 3.9E-18 7.7E-24 190.1 0.0 268 178-518 691-981 (1357)
312 UniRef100_A0A2D4BQD4 Uncharact 99.6 4.8E-18 8.8E-24 164.9 0.0 208 179-394 12-249 (342)
RHD3- 99.6 6E-18 1.2E-23 187.7 0.0 249 175-512 37-307 (1124)
314 UniRef100_A0A8S3QLH1 VLIG-type 99.6 7.8E-18 1.5E-23 170.3 0.0 263 190-519 7-282 (435)
315 UniRef100_A0A0X3NVX6 Protein S 99.6 8.2E-18 1.5E-23 165.6 0.0 176 168-344 29-227 (374)
316 UniRef100_A0A8C5DE82 Up-regula 99.6 8.3E-18 1.5E-23 182.4 0.0 272 178-519 913-1205(1335)
317 UniRef100_A0A4W2GE16 VLIG-type 99.6 8.9E-18 1.8E-23 189.0 0.0 266 178-518 773-1063(1409)
318 UniRef100_A0A8T2N101 VLIG-type 99.6 1E-17 1.9E-23 177.1 0.0 271 178-518 296-587 (784)
319 UniRef100_A0A177W8Z7 Uncharact 99.6 1E-17 1.9E-23 179.8 0.0 323 178-514 662-1069(1112)
320 UniRef100_A0A0L0S082 Protein S 99.6 8.8E-18 1.9E-23 191.1 0.0 249 178-512 66-338 (948)
321 UniRef100_A0A507C1A6 Uncharact 99.6 1E-17 1.9E-23 176.6 0.0 293 176-508 290-618 (699)
322 UniRef100_A0A8K1FPD1 Protein S 99.5 1.3E-17 2.4E-23 169.3 0.0 190 177-374 192-410 (529)
323 UniRef100_A0A267DJV6 VLIG-type 99.5 1.5E-17 2.9E-23 190.9 0.0 275 177-519 1348-1642(2399)
324 UniRef100_UPI00074FBB6E LOW QU 99.5 1.5E-17 2.9E-23 187.6 0.0 219 178-517 941-1172(1791)
325 UniRef100_UPI0020154093 LOW QU 99.5 1.8E-17 3.3E-23 181.7 0.0 271 178-518 382-673 (1610)
326 UniRef100_A0A8T2MV86 VLIG-type 99.5 1.9E-17 3.4E-23 176.6 0.0 271 178-518 214-505 (986)
327 UniRef100_A0A061HUF7 Protein S 99.5 2.1E-17 3.8E-23 146.5 0.0 108 196-303 21-128 (158)
328 UniRef100_A0A6G0J2E7 Interfero 99.5 2.1E-17 3.9E-23 158.8 0.0 213 178-446 15-250 (309)
329 UniRef100_A0A6P6QPT7 Interfero 99.5 2.1E-17 4.1E-23 190.5 0.0 270 178-519 1758-2046(2806)
330 UniRef100_A0A507CNA6 RRM domai 99.5 2.6E-17 4.9E-23 175.6 0.0 294 175-508 289-618 (994)
331 UniRef100_A0A2P6VLJ9 SMG9-like 99.5 2.8E-17 5.2E-23 177.5 0.0 319 181-518 46-423 (1209)
332 UniRef100_A0A5C6MIQ7 Interfero 99.5 2.9E-17 5.5E-23 166.4 0.0 270 178-519 173-461 (461)
333 UniRef100_A0A5E4CT16 VLIG-type 99.5 3.1E-17 5.9E-23 183.9 0.0 268 178-517 497-786 (1472)
334 UniRef100_A0A3M0J1N9 VLIG-type 99.5 3.2E-17 6.3E-23 189.7 0.0 273 178-519 1462-1753(2230)
335 UniRef100_UPI001C0A5F06 up-reg 99.5 3.6E-17 6.7E-23 179.1 0.0 267 178-516 929-1218(1549)
336 UniRef100_A0A0B1SJL2 Protein S 99.5 4.1E-17 7.7E-23 146.4 0.0 157 173-332 8-171 (173)
337 UniRef100_UPI001E1D9372 interf 99.5 4.6E-17 9.4E-23 190.5 0.0 274 178-519 1448-1745(2473)
338 UniRef100_A0A2P6PEA3 Putative 99.5 4.9E-17 9.8E-23 157.1 0.0 172 177-395 3-197 (252)
339 UniRef100_A0A3Q3LDF2 Interfero 99.5 5.2E-17 1E-22 187.7 0.0 270 178-519 961-1249(2832)
340 UniRef100_A0A0B6Z176 Uncharact 99.5 5.6E-17 1E-22 140.2 0.0 127 385-520 4-136 (139)
341 UniRef100_A0A173GTR2 VLIG1 n=1 99.5 5.4E-17 1E-22 183.6 0.0 272 178-519 781-1074(1918)
342 UniRef100_A0A7J6DAX1 Interfero 99.5 6.1E-17 1.2E-22 183.5 0.0 268 178-518 1449-1735(1850)
343 UniRef100_A0A915JXX5 Uncharact 99.5 6.5E-17 1.2E-22 156.1 0.0 127 176-302 159-285 (317)
344 UniRef100_A0A835D338 Protein R 99.5 6.7E-17 1.2E-22 174.2 0.0 254 177-512 322-601 (1141)
345 UniRef100_A0A210R3X1 Interfero 99.5 6.9E-17 1.3E-22 184.7 0.0 275 177-519 1568-1860(2592)
346 UniRef100_A0A2G8L1N7 Uncharact 99.5 7.4E-17 1.4E-22 150.9 0.0 176 302-479 1-178 (244)
347 UniRef100_A0A0A9PCG6 Uncharact 99.5 8.3E-17 1.7E-22 150.1 0.0 125 176-331 31-166 (188)
348 UniRef100_A0A194PIQ7 Protein S 99.5 9.4E-17 1.7E-22 157.0 0.0 108 175-282 184-330 (354)
349 UniRef100_A0A8C1C4H5 VLIG-type 99.5 9.5E-17 1.8E-22 173.0 0.0 270 178-519 139-435 (975)
350 UniRef100_A0A6A5E8T9 VLIG-type 99.5 1.1E-16 2.1E-22 157.7 0.0 261 178-510 45-324 (341)
351 UniRef100_A0A6J8AAN7 VLIG-type 99.5 1.1E-16 2.2E-22 168.6 0.0 264 177-516 363-642 (643)
352 UniRef100_A0A3N0Y5E5 Interfero 99.5 1.2E-16 2.3E-22 182.2 0.0 270 178-519 1562-1850(2546)
353 UniRef100_A0A814JWI2 VLIG-type 99.5 1.2E-16 2.3E-22 184.2 0.0 259 178-517 655-938 (2101)
354 UniRef100_A0A6P6YCT9 Uncharact 99.5 1.2E-16 2.4E-22 165.9 0.0 133 201-341 202-385 (506)
355 UniRef100_A0A7M5WQH1 Uncharact 99.5 1.3E-16 2.5E-22 146.3 0.0 165 339-516 1-172 (209)
356 UniRef100_UPI0018913742 LOW QU 99.5 1.4E-16 2.6E-22 164.4 0.0 269 178-519 293-582 (616)
357 UniRef100_UPI001C3F9BDB LOW QU 99.5 1.5E-16 2.7E-22 172.1 0.0 272 178-519 292-596 (1188)
358 UniRef100_A0A087YS13 Upregulat 99.5 1.5E-16 2.9E-22 175.6 0.0 252 178-506 646-922 (922)
359 UniRef100_A0A9D3NP49 Uncharact 99.5 1.7E-16 3.1E-22 163.4 0.0 270 178-519 154-442 (599)
360 UniRef100_A0A817ZFP7 Uncharact 99.5 1.7E-16 3.3E-22 159.7 0.0 261 179-517 3-286 (393)
361 UniRef100_UPI0006AB59A5 interf 99.5 2.1E-16 3.9E-22 169.5 0.0 270 178-519 266-556 (913)
362 UniRef100_A0A8C1QUP3 Interfero 99.5 2.1E-16 4.1E-22 181.0 0.0 270 178-519 1754-2042(2743)
363 UniRef100_D5AEA1 Uncharacteriz 99.4 2.6E-16 4.7E-22 146.8 0.0 171 329-519 2-228 (236)
364 UniRef100_A0A1Y2B8L7 G domain- 99.4 2.9E-16 5.4E-22 161.6 0.0 267 197-485 150-536 (594)
365 UniRef100_UPI0020B1A888 interf 99.4 3E-16 5.5E-22 175.8 0.0 270 178-519 1520-1812(2503)
RHD3-type 99.4 3E-16 5.6E-22 148.6 0.0 157 179-395 12-179 (243)
367 UniRef100_A0A8S2B1U6 Protein R 99.4 3.1E-16 5.7E-22 173.5 0.0 247 178-512 979-1250(1806)
RHD3- 99.4 3E-16 5.7E-22 167.4 0.0 250 177-512 72-347 (788)
369 UniRef100_A0A1R3H361 Protein S 99.4 3.1E-16 6.1E-22 146.7 0.0 95 179-273 71-166 (202)
RHD3- 99.4 3.2E-16 6.3E-22 171.6 0.0 246 176-512 3-274 (972)
371 UniRef100_A0A6F9ASX7 VLIG-type 99.4 3.7E-16 6.8E-22 160.3 0.0 213 178-446 15-249 (566)
372 UniRef100_A0A6J8A8V5 VLIG-type 99.4 3.9E-16 7.2E-22 174.1 0.0 274 178-519 1090-1381(1837)
373 UniRef100_A0A819D074 VLIG-type 99.4 4.1E-16 8E-22 176.9 0.0 262 177-517 899-1174(1614)
374 UniRef100_UPI000B45968E interf 99.4 4.7E-16 8.8E-22 173.2 0.0 275 177-519 562-854 (1566)
375 UniRef100_A0A7D9LN12 Interfero 99.4 4.7E-16 9.2E-22 172.3 0.0 263 179-518 148-436 (1144)
376 UniRef100_A0A814NPP0 SAM domai 99.4 5E-16 1E-21 177.6 0.0 261 177-517 611-887 (1573)
377 UniRef100_A0A8K1D7Y2 VLIG-type 99.4 5.8E-16 1.1E-21 175.6 0.0 273 178-519 1341-1632(2335)
378 UniRef100_A0A6S7K882 Interfero 99.4 5.8E-16 1.1E-21 169.7 0.0 267 178-519 623-912 (1038)
379 UniRef100_A0A7R9GEP1 RRM domai 99.4 6.6E-16 1.2E-21 165.5 0.0 263 182-516 674-983 (994)
380 UniRef100_A0A7J6ADJ6 VLIG-type 99.4 6.7E-16 1.3E-21 156.3 0.0 258 190-519 2-273 (442)
381 UniRef100_A0A2P6U2Z5 SMG9-like 99.4 6.9E-16 1.3E-21 160.6 0.0 232 179-410 48-316 (670)
382 UniRef100_A0A1B8Y1P4 VLIG-type 99.4 7E-16 1.3E-21 173.9 0.0 273 178-519 1922-2213(2896)
383 UniRef100_A0A7J6AGD4 VLIG-type 99.4 7E-16 1.3E-21 167.8 0.0 270 178-519 461-749 (1276)
384 UniRef100_A0A915N094 Uncharact 99.4 7.3E-16 1.3E-21 144.3 0.0 159 174-342 66-225 (241)
385 UniRef100_A0A7S1KRY3 Protein S 99.4 7.4E-16 1.4E-21 159.4 0.0 256 262-519 332-618 (621)
386 UniRef100_A0A814EXZ9 VLIG-type 99.4 7.1E-16 1.4E-21 178.9 0.0 262 177-517 909-1185(2192)
RHD3- 99.4 7.8E-16 1.4E-21 168.6 0.0 171 176-394 235-426 (1449)
388 UniRef100_A9VCA1 G domain-cont 99.4 8E-16 1.5E-21 146.9 0.0 199 200-398 8-216 (282)
389 UniRef100_UPI0014256CD2 interf 99.4 8.7E-16 1.6E-21 174.5 0.0 272 178-519 1484-1774(2466)
390 UniRef100_A0A6J8F0I3 VLIG-type 99.4 9.2E-16 1.7E-21 171.6 0.0 272 179-519 1060-1350(2298)
391 UniRef100_A0A7S4RX88 Protein S 99.4 9.2E-16 1.7E-21 157.5 0.0 282 179-519 219-557 (569)
392 UniRef100_A0A6P6AHC2 LOW QUALI 99.4 9.6E-16 1.8E-21 162.5 0.0 246 178-512 6-277 (849)
393 UniRef100_UPI0019537BC9 interf 99.4 1E-15 1.9E-21 164.1 0.0 270 178-519 188-476 (851)
394 UniRef100_A0A023AY55 Protein S 99.4 9.6E-16 1.9E-21 168.4 0.0 250 179-512 23-296 (833)
395 UniRef100_A0A267FUT5 VLIG-type 99.4 1E-15 1.9E-21 153.1 0.0 234 213-519 1-249 (374)
396 UniRef100_G1PZH3 VLIG-type G d 99.4 1.1E-15 2.1E-21 165.8 0.0 232 178-484 600-856 (879)
397 UniRef100_UPI001EAEBB58 interf 99.4 1.2E-15 2.2E-21 168.0 0.0 270 178-519 974-1262(1568)
398 UniRef100_A0A2U1P5C0 Protein R 99.4 1.3E-15 2.3E-21 164.6 0.0 259 178-512 7-303 (1115)
399 UniRef100_A0A438IYJ5 Uncharact 99.4 1.3E-15 2.5E-21 136.7 0.0 127 373-519 12-143 (163)
400 UniRef100_A0A507FHF8 IMS impor 99.4 1.4E-15 2.5E-21 159.9 0.0 263 167-435 210-592 (746)
401 UniRef100_UPI001E1DAC8E interf 99.4 1.6E-15 3.1E-21 176.5 0.0 275 178-519 1419-1714(2447)
402 UniRef100_A0A0K6G809 Protein S 99.4 1.6E-15 3.2E-21 153.1 0.0 252 177-512 48-322 (368)
403 UniRef100_A0A7S0M048 Protein S 99.4 2E-15 3.6E-21 141.7 0.0 140 179-318 94-242 (242)
404 UniRef100_A0A4W6FDT7 VLIG-type 99.4 2E-15 3.7E-21 155.0 0.0 219 213-501 331-563 (564)
405 UniRef100_A0A3P9PUU4 VLIG-type 99.4 2E-15 3.8E-21 160.6 0.0 265 178-514 347-630 (728)
406 UniRef100_A0A6P6MHB4 Interfero 99.4 2E-15 3.8E-21 171.3 0.0 270 178-519 1104-1392(2074)
407 UniRef100_A0A183AXQ5 ABC trans 99.4 1.9E-15 3.8E-21 145.7 0.0 111 168-278 43-156 (235)
408 UniRef100_A0A8S3VIA2 VLIG-type 99.4 2.2E-15 4.1E-21 153.4 0.0 262 178-506 233-512 (512)
409 UniRef100_UPI001B8004BC interf 99.4 2.3E-15 4.2E-21 168.0 0.0 273 178-519 1104-1395(2071)
410 UniRef100_A0A4Z2EE49 Interfero 99.4 2.2E-15 4.2E-21 160.2 0.0 235 204-518 34-273 (685)
411 UniRef100_A0A813WZ30 VLIG-type 99.4 2.2E-15 4.3E-21 166.0 0.0 262 177-518 164-440 (921)
412 UniRef100_UPI002286CFA9 interf 99.4 2.6E-15 4.7E-21 166.4 0.0 271 178-517 785-1074(1759)
413 UniRef100_UPI0021ACCA74 protei 99.4 2.6E-15 4.7E-21 143.8 0.0 169 177-393 39-228 (285)
414 UniRef100_A0A061J3D3 Protein S 99.4 2.3E-15 4.9E-21 170.5 0.0 256 178-512 66-382 (932)
415 UniRef100_UPI001953008B interf 99.4 2.6E-15 4.9E-21 169.2 0.0 267 178-517 515-806 (1747)
416 UniRef100_A0A553R0N1 VLIG-type 99.4 2.8E-15 5.1E-21 168.1 0.0 268 178-519 1353-1644(2347)
417 UniRef100_A0A669Q7M8 VLIG-type 99.4 2.7E-15 5.2E-21 157.7 0.0 236 178-482 288-544 (557)
418 UniRef100_A0A815I0N6 VWFA doma 99.3 3.2E-15 6.4E-21 171.2 0.0 261 178-517 69-344 (1359)
419 UniRef100_A0A226EIS7 Protein S 99.3 3.5E-15 6.7E-21 155.2 0.0 271 178-520 232-513 (513)
420 UniRef100_UPI001B8004BC interf 99.3 3.9E-15 7.2E-21 166.2 0.0 274 177-519 145-437 (2071)
421 UniRef100_A0A0G4J7D5 Protein S 99.3 3.6E-15 7.3E-21 164.5 0.0 252 177-512 14-297 (817)
422 UniRef100_A0A5B7ELR4 Protein S 99.3 4E-15 7.4E-21 148.9 0.0 143 296-438 148-294 (423)
423 UniRef100_A0A132A2Q0 SMG9-like 99.3 4E-15 7.4E-21 145.6 0.0 132 202-341 73-225 (343)
424 UniRef100_A0A821Y9P3 VLIG-type 99.3 4E-15 7.4E-21 149.6 0.0 260 178-516 112-402 (445)
425 UniRef100_UPI0007AD7E7D interf 99.3 4.1E-15 7.5E-21 164.7 0.0 272 178-519 533-823 (1516)
426 UniRef100_A0A8X7XAC1 GVIN1 GTP 99.3 4.4E-15 8.6E-21 149.5 0.0 178 304-519 6-187 (354)
427 UniRef100_A0A0L0SLZ2 Septin-ty 99.3 4.5E-15 8.6E-21 156.8 0.0 295 178-512 232-613 (616)
428 UniRef100_A0A7S4NWB7 Protein S 99.3 5E-15 9.2E-21 138.5 0.0 159 180-339 53-218 (234)
429 UniRef100_A0A8T3CX51 Uncharact 99.3 5.1E-15 9.6E-21 162.2 0.0 178 178-401 714-911 (1094)
430 UniRef100_A0A564Z860 Protein S 99.3 5.8E-15 1.1E-20 151.4 0.0 169 169-337 36-233 (543)
431 UniRef100_UPI001175F315 interf 99.3 5.8E-15 1.1E-20 165.0 0.0 270 178-519 1134-1422(2113)
432 UniRef100_A0A6A3BID3 Protein R 99.3 6.7E-15 1.2E-20 158.5 0.0 150 175-372 282-449 (1030)
RHD3 99.3 6.3E-15 1.4E-20 162.9 0.0 250 177-506 12-277 (568)
434 UniRef100_UPI001069E1E2 interf 99.3 8.4E-15 1.6E-20 158.0 0.0 264 179-519 83-372 (848)
435 UniRef100_UPI0014038CC8 interf 99.3 1E-14 1.9E-20 151.9 0.0 262 179-517 247-529 (648)
436 UniRef100_A0A816VPY8 VLIG-type 99.3 1E-14 2E-20 165.8 0.0 258 179-517 132-414 (1417)
RHD3- 99.3 1.1E-14 2E-20 154.0 0.0 249 177-512 77-350 (787)
438 UniRef100_UPI002278A69F interf 99.3 1.1E-14 2.1E-20 164.7 0.0 269 178-518 1873-2160(2875)
439 UniRef100_A0A267GQX3 VLIG-type 99.3 1.2E-14 2.2E-20 147.8 0.0 271 178-519 31-324 (489)
440 UniRef100_A0A2G8LLX9 Putative 99.3 1.2E-14 2.2E-20 150.8 0.0 269 178-516 98-389 (615)
441 UniRef100_L1IE84 Protein SMG9 99.3 1.2E-14 2.2E-20 140.9 0.0 200 197-400 3-247 (313)
442 UniRef100_A0A1A6HIT4 VLIG-type 99.3 1.2E-14 2.3E-20 153.3 0.0 270 179-517 357-645 (760)
443 UniRef100_A0A8C4XAJ3 Up-regula 99.3 1.3E-14 2.3E-20 159.7 0.0 276 178-519 750-1046(1337)
RHD3- 99.3 1.3E-14 2.4E-20 159.2 0.0 152 179-374 34-204 (936)
445 UniRef100_A0A096M539 VLIG-type 99.3 1.6E-14 3E-20 156.1 0.0 259 178-508 603-880 (883)
446 UniRef100_A0A015KMF5 Protein S 99.3 1.5E-14 3.1E-20 159.2 0.0 255 176-512 89-364 (695)
447 UniRef100_UPI0011E9F539 interf 99.3 1.7E-14 3.2E-20 159.0 0.0 270 178-519 967-1255(1497)
RHD3- 99.3 1.8E-14 3.4E-20 154.9 0.0 247 178-512 6-279 (855)
449 UniRef100_A0A6V7WCM3 Uncharact 99.3 1.9E-14 3.5E-20 140.6 0.0 240 234-509 5-247 (333)
450 UniRef100_L9KVC5 Interferon-in 99.3 2E-14 3.7E-20 159.3 0.0 268 178-517 787-1076(1513)
451 UniRef100_UPI001955B089 interf 99.3 2.2E-14 4E-20 162.6 0.0 270 178-519 1901-2189(2887)
452 UniRef100_UPI0020943C5E interf 99.3 2.2E-14 4.1E-20 161.2 0.0 276 178-519 1291-1585(1717)
453 UniRef100_A0A063C7H9 Protein S 99.3 2.3E-14 4.8E-20 159.8 0.0 254 177-512 61-355 (909)
454 UniRef100_A0A8H7ER04 Dynamin-l 99.3 2.6E-14 5.1E-20 154.4 0.0 252 179-512 31-302 (635)
455 UniRef100_A0A8T1U9D3 P-loop co 99.3 2.8E-14 5.2E-20 146.0 0.0 290 202-516 175-512 (518)
456 UniRef100_UPI0018646FA9 interf 99.2 3E-14 5.5E-20 159.8 0.0 268 178-517 1145-1431(2123)
457 UniRef100_UPI0006D8DDA8 protei 99.2 3E-14 5.5E-20 123.5 0.0 108 92-208 17-127 (135)
458 UniRef100_UPI000DED56A8 protei 99.2 3.1E-14 5.6E-20 150.4 0.0 250 177-512 69-344 (754)
459 UniRef100_A0A7S3V054 Protein S 99.2 3.4E-14 6.3E-20 143.2 0.0 184 177-373 96-317 (442)
460 UniRef100_A0A7J8ERL7 VLIG-type 99.2 3.4E-14 6.3E-20 152.7 0.0 264 179-517 178-466 (813)
461 UniRef100_UPI000854FA9C interf 99.2 3.8E-14 7E-20 127.1 0.0 150 202-397 8-168 (169)
462 UniRef100_A0A3N0Y531 PRKCA-bin 99.2 3.9E-14 7.2E-20 160.1 0.0 270 178-519 876-1164(2621)
Sey1 99.2 3.6E-14 7.5E-20 150.3 0.0 226 201-511 32-274 (472)
464 UniRef100_E4XMX7 Uncharacteriz 99.2 4.2E-14 7.7E-20 127.6 0.0 149 300-478 26-174 (176)
465 UniRef100_A0A267H2T1 VLIG-type 99.2 4.3E-14 7.8E-20 157.2 0.0 275 177-519 680-974 (1725)
466 UniRef100_A0A7J6DBL9 Uncharact 99.2 4.3E-14 7.9E-20 155.0 0.0 265 178-517 934-1217(1323)
467 UniRef100_A0A669Q7M4 VLIG-type 99.2 4.5E-14 8.2E-20 150.7 0.0 251 178-519 592-861 (863)
468 UniRef100_A0A6G1S716 Protein s 99.2 4.5E-14 8.5E-20 140.7 0.0 161 172-341 63-238 (344)
469 UniRef100_A0A8J2RLF3 VLIG-type 99.2 4.4E-14 9.2E-20 166.8 0.0 280 178-517 770-1075(1792)
470 UniRef100_A0A6J8A109 VLIG-type 99.2 5E-14 9.7E-20 153.8 0.0 264 178-519 532-824 (896)
471 UniRef100_A0A6P6WMS2 Protein R 99.2 5.4E-14 1E-19 144.6 0.0 249 177-512 7-276 (489)
RHD3- 99.2 5.6E-14 1E-19 151.3 0.0 246 179-512 60-330 (887)
RHD3- 99.2 5.6E-14 1.1E-19 150.5 0.0 249 177-512 24-298 (676)
474 UniRef100_A0A836XM84 Protein S 99.2 6.2E-14 1.1E-19 138.1 0.0 160 335-519 166-343 (351)
475 UniRef100_A0A182WM91 Chromatin 99.2 6.3E-14 1.2E-19 154.3 0.0 272 176-509 28-305 (1414)
476 UniRef100_A0A150G0W0 Uncharact 99.2 6.3E-14 1.3E-19 153.7 0.0 228 169-400 199-515 (778)
477 UniRef100_E4XMX6 Nonsense-medi 99.2 7E-14 1.3E-19 129.8 0.0 112 175-288 82-196 (215)
478 UniRef100_UPI00143D9FAC LOW QU 99.2 7.3E-14 1.3E-19 156.4 0.0 270 178-519 1003-1291(1969)
479 UniRef100_UPI0020CAAEB9 interf 99.2 7.4E-14 1.4E-19 156.2 0.0 269 179-519 966-1253(1952)
480 UniRef100_UPI001891BD17 interf 99.2 7.6E-14 1.4E-19 152.0 0.0 265 178-519 859-1147(1160)
481 UniRef100_UPI001E1C51EA up-reg 99.2 7.6E-14 1.4E-19 151.1 0.0 244 178-483 608-880 (1053)
482 UniRef100_A0A7J6DAQ4 Interfero 99.2 7.8E-14 1.4E-19 155.9 0.0 269 178-518 525-812 (1905)
483 UniRef100_J9EE56 von Willebran 99.2 8.1E-14 1.6E-19 164.4 0.0 260 177-518 1887-2163(3430)
484 UniRef100_UPI001068DC74 interf 99.2 9.3E-14 1.7E-19 157.2 0.0 262 179-518 1573-1862(2574)
485 UniRef100_UPI00106B9B4F interf 99.2 9.2E-14 1.7E-19 159.7 0.0 266 179-518 1481-1770(2490)
486 UniRef100_UPI001CF9EA0C LOW QU 99.2 9.7E-14 1.8E-19 158.0 0.0 268 180-519 1463-1755(3071)
487 UniRef100_UPI00106C4817 interf 99.2 1.1E-13 2.1E-19 154.3 0.0 254 179-511 994-1276(1281)
488 UniRef100_A0A4W4G7Q8 Si:dkey-8 99.2 1.2E-13 2.2E-19 144.1 0.0 184 178-410 370-573 (629)
RHD3- 99.2 1.3E-13 2.5E-19 133.6 0.0 157 175-375 43-221 (264)
490 UniRef100_A0A9D4B4G1 Uncharact 99.2 1.4E-13 2.6E-19 109.3 0.0 73 1-75 1-77 (79)
RHD3- 99.2 1.5E-13 2.7E-19 126.9 0.0 164 177-392 4-185 (195)
492 UniRef100_A0A3N0YX16 Interfero 99.2 1.5E-13 2.8E-19 157.3 0.0 268 178-517 2016-2302(3050)
493 UniRef100_UPI0003AFD55D unchar 99.2 1.6E-13 3E-19 148.7 0.0 168 188-401 691-873 (917)
494 UniRef100_A0A814SSK5 VLIG-type 99.2 1.6E-13 3.1E-19 155.1 0.0 261 178-517 621-904 (1555)
495 UniRef100_A0A8X8BR76 GVIN1 GTP 99.2 1.7E-13 3.1E-19 148.9 0.0 273 178-519 206-502 (1087)
496 UniRef100_A0A814BYL8 VLIG-type 99.2 1.8E-13 3.3E-19 144.2 0.0 246 178-517 168-427 (573)
497 UniRef100_A0A8C2CZU5 VLIG-type 99.2 1.9E-13 3.6E-19 151.7 0.0 270 178-519 1125-1413(1600)
498 UniRef100_UPI001E1D9C56 interf 99.2 1.8E-13 3.7E-19 158.2 0.0 264 178-519 568-856 (1545)
499 UniRef100_UPI001E1D61EE interf 99.1 1.9E-13 4E-19 159.5 0.0 268 178-519 599-896 (1538)
500 UniRef100_A0A2V3J1Y5 Protein S 99.1 2.1E-13 4.2E-19 147.1 0.0 175 180-394 17-233 (578)

2025-09-16 15:01:05,611 Unable to initialize backend 'rocm': NOT_FOUND: Could not find registered platform with name: "rocm". Available platform names are: Interpreter CUDA
2025-09-16 15:01:05,614 Unable to initialize backend 'tpu': module 'jaxlib.xla_extension' has no attribute 'get_tpu_client'
2025-09-16 15:01:16,136 Running on GPU
2025-09-16 15:01:16,644 Found 7 citations for tools or databases
1tmp.cif.bak.
1: e0e7fb1328087680d8822673aae46917_e5e76 (length 520)
local msa started
2025-09-16 15:19:01,550 Sequence 0 found templates: ['1tmp_C', '1tmp_C']
local msa started
2025-09-16 15:30:28,959 Setting max_seq=512, max_extra_seq=2484
2025-09-16 15:32:12,237 alphafold2_ptm_model_1_seed_000 recycle=0 pLDDT=72.8 pTM=0.657
2025-09-16 15:32:57,605 alphafold2_ptm_model_1_seed_000 recycle=1 pLDDT=71.2 pTM=0.639 tol=6.04
2025-09-16 15:32:57,612 alphafold2_ptm_model_1_seed_000 took 130.2s (1 recycles)
2025-09-16 15:33:42,912 alphafold2_ptm_model_2_seed_000 recycle=0 pLDDT=72.9 pTM=0.652
2025-09-16 15:34:27,778 alphafold2_ptm_model_2_seed_000 recycle=1 pLDDT=71.7 pTM=0.645 tol=5.81
2025-09-16 15:34:27,781 alphafold2_ptm_model_2_seed_000 took 89.6s (1 recycles)
2025-09-16 15:35:31,672 alphafold2_ptm_model_3_seed_000 recycle=0 pLDDT=69.8 pTM=0.645
2025-09-16 15:36:14,034 alphafold2_ptm_model_3_seed_000 recycle=1 pLDDT=68.2 pTM=0.631 tol=3.97
2025-09-16 15:36:14,038 alphafold2_ptm_model_3_seed_000 took 105.6s (1 recycles)
2025-09-16 15:36:57,516 alphafold2_ptm_model_4_seed_000 recycle=0 pLDDT=67 pTM=0.632
2025-09-16 15:37:40,250 alphafold2_ptm_model_4_seed_000 recycle=1 pLDDT=66.4 pTM=0.629 tol=5.91
2025-09-16 15:37:40,253 alphafold2_ptm_model_4_seed_000 took 85.6s (1 recycles)
2025-09-16 15:38:23,327 alphafold2_ptm_model_5_seed_000 recycle=0 pLDDT=67.2 pTM=0.63
2025-09-16 15:39:06,063 alphafold2_ptm_model_5_seed_000 recycle=1 pLDDT=66.8 pTM=0.629 tol=5.39
2025-09-16 15:39:06,065 alphafold2_ptm_model_5_seed_000 took 85.2s (1 recycles)
2025-09-16 15:39:06,688 reranking models by 'plddt' metric
2025-09-16 15:39:06,689 rank_001_alphafold2_ptm_model_2_seed_000 pLDDT=71.7 pTM=0.645
2025-09-16 15:39:06,697 rank_002_alphafold2_ptm_model_1_seed_000 pLDDT=71.2 pTM=0.639
2025-09-16 15:39:06,722 rank_003_alphafold2_ptm_model_3_seed_000 pLDDT=68.2 pTM=0.631
2025-09-16 15:39:06,730 rank_004_alphafold2_ptm_model_5_seed_000 pLDDT=66.8 pTM=0.629
2025-09-16 15:39:06,737 rank_005_alphafold2_ptm_model_4_seed_000 pLDDT=66.4 pTM=0.629
2025-09-16 15:39:10,717 Done
Prediction finished.
INFO: Modeling Part Done
chain_C
chain_C
align structure to input map
rank_001_alphafold2_ptm_model_2_seed_000_s1
flags
core.init.score_function_corrections: [ WARNING ] Flag -beta_nov16 is set but -weights are also specified. Not changing input weights file!
www.rosettacommons.org 2018-08-14T02:36:37.119534
-in::file::s input.pdb -parser::protocol B_relax_density.xml -ignore_unrecognized_res -edensity::mapreso 3.43 -edensity::cryoem_scatterers -crystal_refine -beta -out::suffix _relax -default_max_cycles 200
urandom', seed=-524639561 seed_offset=0 real_seed=-524639561
core.init.random: RandomGenerator:init: Normal mode, seed=-524639561 RG_type=mt19937
protocols.jd2.PDBJobInputter: Instantiate PDBJobInputter
protocols.jd2.PDBJobInputter: PDBJobInputter::fill_jobs
protocols.jd2.PDBJobInputter: pushed input.pdb nstruct index 1
protocols.evaluation.ChiWellRmsdEvaluatorCreator: Evaluation Creator active ...
protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job
protocols.jd2.PDBJobInputter: filling pose from PDB input.pdb
core.chemical.GlobalResidueTypeSet: Finished initializing fa_standard residue type set. Created 617 residue types
core.chemical.GlobalResidueTypeSet: Total time to initialize 1.43 seconds.
core.import_pose.import_pose: File 'input.pdb' automatically determined to be of type PDB
protocols.rosetta_scripts.RosettaScriptsParser: dock_design_filename=B_relax_density.xml
protocols.rosetta_scripts.RosettaScriptsParser: Generating XML Schema for rosetta_scripts...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Initializing schema validator...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Validating input script...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Parsed script:
<ROSETTASCRIPTS>
<SCOREFXNS>
<ScoreFunction name="dens" weights="beta_cart">
>
>
ScoreFunction>
SCOREFXNS>
<MOVERS>
>
>
>
MOVERS>
<PROTOCOLS>
>
>
>
PROTOCOLS>
>
ROSETTASCRIPTS>
core.scoring.ScoreFunctionFactory: SCOREFUNCTION: beta_genpot.wts
core.scoring.etable: Starting energy table calculation
rep split to bottom of energy well
core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6)
core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6)
core.scoring.etable: Finished calculating energy tables.
HBPoly1D.csv
HBFadeIntervals.csv
HBEval.csv
DonStrength.csv
AccStrength.csv
all.ramaProb
prepro.ramaProb
omega_ppdep.all.txt
omega_ppdep.gly.txt
omega_ppdep.pro.txt
omega_ppdep.valile.txt
P_AA
P_AA_n
core.scoring.P_AA: shapovalov_lib::shap_p_aa_pp_smooth_level of 1( aka low_smooth ) got activated.
a20.prop
hydroxyl_torsion_preference.txt
generic_bonded.round6p.txt
core.scoring.GenericBondedPotential: Added total 0 bond parameters corresponding to 0 unique bonds.
core.scoring.GenericBondedPotential: Added total 0 angle parameters corresponding to 0 unique angles.
core.scoring.GenericBondedPotential: Added total 228 torsion parameters corresponding to 131380 unique torsions.
core.scoring.GenericBondedPotential: Added total 49 improper parameters corresponding to 65 unique impropers.
core.scoring.GenericBondedPotential: Added total 3 special-torsion parameters corresponding to 4 unique torsions.
core.scoring.etable: Starting energy table calculation
rep split to bottom of energy well
core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6)
core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6)
core.scoring.etable: Finished calculating energy tables.
pdb_pair_stats_fine
interchain_env_log.txt
interchain_pair_log.txt
env_log.txt
cbeta_den.txt
pair_log.txt
cenpack_log.txt
core.scoring.ramachandran: shapovalov_lib::shap_rama_smooth_level of 4( aka highest_smooth ) got activated.
all.ramaProb
core.scoring.CartesianBondedEnergy: Initializing IdealParametersDatabase with default Ks=300 , 80 , 20 , 10 , 40
default-lengths.txt
core.scoring.CartesianBondedEnergy: Read 757 bb-independent lengths.
default-angles.txt
core.scoring.CartesianBondedEnergy: Read 1456 bb-independent angles.
default-torsions.txt
core.scoring.CartesianBondedEnergy: Read 1 bb-independent torsions.
default-improper.txt
core.scoring.CartesianBondedEnergy: Read 2197 bb-independent improper tors.
protocols.jd2.parser.ScoreFunctionLoader: defined score function "dens" with weights "beta_cart"
protocols.jd2.parser.ScoreFunctionLoader: setting dens weight elec_dens_fast to 35
protocols.jd2.parser.ScoreFunctionLoader: User defined per-residue sidechain density reweighing:
protocols.jd2.parser.ScoreFunctionLoader: ALA 0.88
protocols.jd2.parser.ScoreFunctionLoader: CYS 0.81
protocols.jd2.parser.ScoreFunctionLoader: ASP 0.76
protocols.jd2.parser.ScoreFunctionLoader: GLU 0.76
protocols.jd2.parser.ScoreFunctionLoader: PHE 0.88
protocols.jd2.parser.ScoreFunctionLoader: GLY 1
protocols.jd2.parser.ScoreFunctionLoader: HIS 0.81
protocols.jd2.parser.ScoreFunctionLoader: ILE 0.88
protocols.jd2.parser.ScoreFunctionLoader: LYS 0.76
protocols.jd2.parser.ScoreFunctionLoader: LEU 0.88
protocols.jd2.parser.ScoreFunctionLoader: MET 0.76
protocols.jd2.parser.ScoreFunctionLoader: ASN 0.81
protocols.jd2.parser.ScoreFunctionLoader: PRO 0.88
protocols.jd2.parser.ScoreFunctionLoader: GLN 0.81
protocols.jd2.parser.ScoreFunctionLoader: ARG 0.76
protocols.jd2.parser.ScoreFunctionLoader: SER 0.81
protocols.jd2.parser.ScoreFunctionLoader: THR 0.81
protocols.jd2.parser.ScoreFunctionLoader: VAL 0.88
protocols.jd2.parser.ScoreFunctionLoader: TRP 0.88
protocols.jd2.parser.ScoreFunctionLoader: TYR 0.88
protocols.electron_density.util: Parsing SetupForDensityScoringMover----
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "setupdens" of type SetupForDensityScoring
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "loaddens" of type LoadDensityMap
default.txt ==================
protocols.relax.FastRelax: repeat 5
protocols.relax.FastRelax: ramp_repack_min 0.02 0.01 1.0
protocols.relax.FastRelax: ramp_repack_min 0.250 0.01 0.5
protocols.relax.FastRelax: ramp_repack_min 0.550 0.01 0.0
protocols.relax.FastRelax: ramp_repack_min 1 0.00001 0.0
protocols.relax.FastRelax: accept_to_best
protocols.relax.FastRelax: endrepeat
default.txt ==================
protocols.relax.FastRelax: repeat 2
protocols.relax.FastRelax: ramp_repack_min 0.02 0.01 1.0
protocols.relax.FastRelax: ramp_repack_min 0.250 0.01 0.5
protocols.relax.FastRelax: ramp_repack_min 0.550 0.01 0.0
protocols.relax.FastRelax: ramp_repack_min 1 0.00001 0.0
protocols.relax.FastRelax: accept_to_best
protocols.relax.FastRelax: endrepeat
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "relaxcart" of type FastRelax
protocols.rosetta_scripts.ParsedProtocol: ParsedProtocol mover with the following movers and filters
protocols.rosetta_scripts.ParsedProtocol: added mover "setupdens" with filter "true_filter"
protocols.rosetta_scripts.ParsedProtocol: added mover "loaddens" with filter "true_filter"
protocols.rosetta_scripts.ParsedProtocol: added mover "relaxcart" with filter "true_filter"
protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job
protocols.jd2.PDBJobInputter: filling pose from saved copy input.pdb
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER SetupForDensityScoring - setupdens=======================
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: [ WARNING ] No density map specified
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: [ WARNING ] No density map specified
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER LoadDensityMap - loaddens=======================
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: Loading density mapMAP.mrc
core.scoring.electron_density.ElectronDensity: Setting resolution to 3.43A
core.scoring.electron_density.ElectronDensity: atom mask to 3.2A
core.scoring.electron_density.ElectronDensity: CA mask to 6A
core.scoring.electron_density.ElectronDensity: Read density map'MAP.mrc'
core.scoring.electron_density.ElectronDensity: extent: 332 x 332 x 332
core.scoring.electron_density.ElectronDensity: origin: 0 x 0 x 0
core.scoring.electron_density.ElectronDensity: altorigin: 0 x 0 x 0
core.scoring.electron_density.ElectronDensity: grid: 332 x 332 x 332
core.scoring.electron_density.ElectronDensity: celldim: 332 x 332 x 332
core.scoring.electron_density.ElectronDensity: cellangles: 90 x 90 x 90
core.scoring.electron_density.ElectronDensity: voxel vol.: 1
core.scoring.electron_density.ElectronDensity: Effective resolution = 3.43
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER FastRelax - relaxcart=======================
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (521)
core.scoring.GenericBondedEnergy: Creating new peptide-bonded energy container (521)
elec_cp_reps.dat
core.scoring.elec.util: Read 40 countpair representative atoms
core.scoring.electron_density.ElectronDensity: Setting [kmin_,kmax_] to [0.062821,1.90674]
18.845 sum=(0,0)
core.pack.dunbrack.RotamerLibrary: shapovalov_lib_fixes_enable option is true.
Dunbrack10.lib.bin
Dunbrack10.lib.bin'.
core.pack.dunbrack.RotamerLibrary: Dunbrack 2010 library took 0.27 seconds to load from binary
core.scoring.CartesianBondedEnergy: Adding undefined angle VRT: X,ORIG,Y to DB with theta0 = 1.5708 , Ktheta = 80
core.scoring.CartesianBondedEnergy: Adding undefined length VRT: ORIG,X, to DB with d0 = 1 , Kd = 300
core.scoring.CartesianBondedEnergy: Adding undefined length VRT: ORIG,Y, to DB with d0 = 1 , Kd = 300
protocols.relax.FastRelax: CMD: repeat 9516.65 0 0 0.55
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 9810 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 23491356 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -4638.9 0.836573 0.836573 0.011
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 9170 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 19939348 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -4729.9 1.15198 1.15198 0.1375
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 8764 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 18114412 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -4728.3 1.51754 1.51754 0.3025
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 8591 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 17133792 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -4667.61 1.80417 1.80417 0.55
protocols.relax.FastRelax: MRP: 0 -4667.61 -4667.61 1.80417 1.80417
protocols.relax.FastRelax: CMD: accept_to_best -4667.61 1.80417 1.80417 0.55
protocols.relax.FastRelax: CMD: endrepeat -4667.61 1.80417 1.80417 0.55
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 10239 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 24754616 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -5287.4 1.96759 1.96759 0.011
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 9125 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 19675996 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -5047.21 2.02571 2.02571 0.1375
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 8912 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 18513096 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -4924.5 2.1477 2.1477 0.3025
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 8647 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 17282212 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -4802.75 2.23618 2.23618 0.55
protocols.relax.FastRelax: MRP: 1 -4802.75 -4802.75 2.23618 2.23618
protocols.relax.FastRelax: CMD: accept_to_best -4802.75 2.23618 2.23618 0.55
protocols.relax.FastRelax: CMD: endrepeat -4802.75 2.23618 2.23618 0.55
protocols::checkpoint: Deleting checkpoints of FastRelax
protocols.rosetta_scripts.ParsedProtocol: setting status to success
protocols.jd2.JobDistributor: input_relax_0001 reported success in 737 seconds
protocols.jd2.JobDistributor: no more batches to process...
protocols.jd2.JobDistributor: 1 jobs considered, 1 jobs attempted in 737 seconds

chain_C
align structure to input map
rank_002_alphafold2_ptm_model_1_seed_000_s1
Query Chain A
Match_columns 520
No_of_seqs 3012 out of 54395
Neff 7.39945
Searched_HMMs 153984
Date Tue Sep 16 16:14:44 2025
UniRef30_2023_02

No Hit Prob E-value P-value Score SS Cols Query HMM Template HMM
1 UniRef100_A0A023FMF3 Protein S 100.0 6E-106 1E-111 871.0 0.0 508 1-520 225-732 (818)
2 UniRef100_A0A6G0IBR6 Nonsense- 100.0 1.6E-98 3E-104 755.2 0.0 486 1-502 1-490 (827)
3 UniRef100_A0A9D3SYJ0 Uncharact 100.0 9.2E-96 2E-101 758.3 0.0 490 1-510 30-523 (1406)
4 UniRef100_A0A0C9R2C8 Protein S 100.0 1.3E-88 2.8E-94 683.8 0.0 399 95-520 5-404 (424)
5 UniRef100_A0A4W2GHX7 Nonsense- 100.0 1.4E-85 2.7E-91 647.5 0.0 405 1-405 1-405 (482)
6 UniRef100_A0A4W6CT12 Nonsense- 100.0 3.9E-85 7.2E-91 655.4 0.0 421 92-520 341-762 (762)
7 UniRef100_A0A674G872 Nonsense- 100.0 2.9E-83 5.7E-89 641.6 0.0 457 49-520 92-551 (567)
8 UniRef100_A0A556U194 Protein S 100.0 1.8E-76 3.3E-82 627.4 0.0 420 1-439 1-443 (2221)
9 UniRef100_A0A6P7JUZ1 Nonsense- 100.0 2.5E-76 4.5E-82 581.7 0.0 385 1-403 17-405 (598)
10 UniRef100_A0A250XXG0 Protein S 100.0 3E-75 5.9E-81 557.8 0.0 327 193-520 9-335 (335)
11 UniRef100_UPI000FD6315B LOW QU 100.0 1.2E-65 2.3E-71 520.9 0.0 452 54-520 270-724 (728)
12 UniRef100_A0A0L7KMJ4 Protein S 100.0 1.8E-61 3.5E-67 487.5 0.0 327 173-520 113-496 (579)
13 UniRef100_A0A8T2MTD7 Protein S 100.0 1E-59 1.9E-65 439.8 0.0 328 1-520 1-332 (332)
14 UniRef100_A0A423TSU8 Protein S 100.0 8.1E-58 1.6E-63 469.5 0.0 332 168-520 223-559 (634)
15 UniRef100_A0A672HWT8 SMG9 nons 100.0 9.9E-58 2E-63 424.2 0.0 236 283-520 2-237 (237)
16 UniRef100_A0A022S0C2 Protein S 100.0 1E-57 2.2E-63 468.6 0.0 322 178-519 101-447 (529)
17 UniRef100_A0A6P7FDX8 Protein S 100.0 3.6E-57 7.1E-63 445.3 0.0 309 174-520 104-414 (414)
18 UniRef100_A0A8V5GP29 Nonsense- 100.0 7.5E-57 1.4E-62 445.9 0.0 338 49-404 28-373 (605)
19 UniRef100_A0A7L3QUS5 Nonsense- 100.0 7.3E-56 1.4E-61 422.3 0.0 373 1-405 1-375 (385)
20 UniRef100_A0A8J6EJD0 Protein S 100.0 2.7E-55 4.9E-61 409.8 0.0 317 1-367 1-323 (326)
21 UniRef100_A0A068RUR5 Protein s 100.0 9.2E-55 2E-60 447.6 0.0 325 174-519 142-468 (493)
22 UniRef100_A0A455AD38 Nonsense- 100.0 2.3E-54 4.4E-60 418.2 0.0 310 1-317 25-336 (381)
23 UniRef100_A0A087G7R9 Protein S 100.0 9.1E-53 1.9E-58 419.1 0.0 320 179-519 63-403 (413)
24 UniRef100_A0A0K0JPL2 BMA-SMG-9 100.0 5.4E-51 1.2E-56 425.3 0.0 333 175-519 154-496 (532)
25 UniRef100_T1J0F4 BTB domain-co 100.0 6.5E-51 1.2E-56 419.1 0.0 410 59-495 583-994 (994)
26 UniRef100_UPI001C202BC2 protei 100.0 6.7E-49 1.2E-54 390.4 0.0 327 173-520 223-607 (607)
27 UniRef100_A0A0B7NRL4 G domain- 100.0 8.2E-49 1.7E-54 389.6 0.0 288 188-519 84-373 (379)
28 UniRef100_UPI000C811166 protei 100.0 2.6E-48 4.8E-54 382.7 0.0 242 164-405 188-429 (545)
29 UniRef100_A0A034WE58 Protein S 100.0 8.1E-48 1.7E-53 393.3 0.0 301 170-518 105-416 (448)
30 UniRef100_A0A194QSN6 Protein S 100.0 1.7E-47 3.2E-53 389.9 0.0 325 175-520 460-836 (836)
31 UniRef100_A0A023F8R7 Protein S 100.0 3.3E-46 6.1E-52 351.4 0.0 317 177-520 1-328 (340)
32 UniRef100_N6TCQ9 Protein SMG9 100.0 3.6E-46 6.5E-52 361.0 0.0 320 175-520 93-444 (444)
33 UniRef100_A0A672HX22 SMG9 nons 100.0 1E-44 1.9E-50 345.6 0.0 237 267-520 86-327 (327)
34 UniRef100_A0A371IGF0 ERAD-asso 100.0 4.1E-43 7.7E-49 365.2 0.0 322 178-519 49-389 (923)
35 UniRef100_A0A3Q3IQA5 Nonsense- 100.0 9.4E-43 1.7E-48 326.1 0.0 241 1-271 1-244 (318)
36 UniRef100_A0A3B3SPQ3 SMG9 nons 100.0 1.3E-41 2.4E-47 315.1 0.0 262 196-463 13-275 (289)
37 UniRef100_UPI000D630DED protei 100.0 6.4E-41 1.3E-46 322.1 0.0 226 251-520 91-316 (316)
38 UniRef100_A0A1R3GGM3 Zinc fing 100.0 1.2E-40 2.2E-46 354.9 0.0 320 179-519 56-395 (1729)
39 UniRef100_A0A1V9X5D1 Protein S 100.0 3.5E-40 6.6E-46 325.7 0.0 298 175-519 148-452 (453)
40 UniRef100_A0A077Z949 Pre mRNA 100.0 7.4E-40 1.4E-45 330.6 0.0 317 178-518 154-472 (519)
41 UniRef100_A0A7J7L7Z4 Uncharact 100.0 1.2E-39 2.3E-45 340.5 0.0 321 179-519 809-1154(1162)
42 UniRef100_A0A6M2DP61 Protein S 100.0 1.4E-39 2.5E-45 313.8 0.0 321 177-520 1-411 (411)
43 UniRef100_A0A8S2AHT7 Genome as 100.0 6.9E-39 1.3E-44 324.3 0.0 303 179-519 379-700 (708)
44 UniRef100_A0A0D3GC17 gluconoki 100.0 9.3E-39 1.8E-44 323.6 0.0 321 179-519 66-409 (629)
45 UniRef100_A0A8J5D0K8 Protein S 100.0 2.2E-38 4E-44 319.6 0.0 301 169-519 370-672 (676)
46 UniRef100_UPI0018A7C168 protei 100.0 1.2E-37 2.3E-43 290.1 0.0 263 236-520 31-297 (297)
47 UniRef100_L8H048 Protein SMG9 100.0 1.3E-37 2.4E-43 302.4 0.0 299 175-519 130-431 (440)
48 UniRef100_A0A453QFJ9 G domain- 100.0 9.6E-37 1.9E-42 301.6 0.0 252 179-505 122-392 (392)
49 UniRef100_A0A4S2JCT7 Protein k 100.0 2E-36 3.7E-42 313.8 0.0 264 173-487 83-346 (979)
50 UniRef100_A0A0S7KDJ3 Nonsense- 100.0 4.6E-36 9E-42 280.6 0.0 227 32-288 12-238 (252)
51 UniRef100_A0A024TLR6 Protein S 100.0 4.9E-36 1E-41 306.1 0.0 285 178-520 145-437 (446)
52 UniRef100_A0A812DEI6 SMG9 n=1 100.0 2E-35 3.6E-41 283.8 0.0 217 284-512 3-219 (385)
53 UniRef100_A0A1B6GE88 Protein S 100.0 2.3E-35 4.2E-41 267.8 0.0 229 267-520 1-236 (236)
54 UniRef100_C3XR15 Nonsense-medi 100.0 3.1E-35 5.7E-41 271.4 0.0 186 143-332 67-252 (270)
55 UniRef100_A0A060XDF0 Uncharact 100.0 4.8E-35 9.2E-41 267.4 0.0 188 1-197 4-194 (217)
56 UniRef100_A0A2N9GZM6 Reverse t 100.0 1.1E-34 1.9E-40 297.9 0.0 322 178-519 141-520 (825)
57 UniRef100_A0A0B6Z1V9 Protein S 100.0 1.3E-34 2.5E-40 271.5 0.0 215 167-383 91-305 (308)
58 UniRef100_A0A1R3GDF6 Agenet do 100.0 1.4E-34 2.6E-40 297.3 0.0 295 179-519 56-365 (835)
59 UniRef100_UPI00207762E2 nonsen 100.0 2.1E-34 3.9E-40 278.0 0.0 193 177-369 161-356 (401)
60 UniRef100_A0A087YJR9 VLIG-type 100.0 2.1E-34 4.7E-40 340.6 0.0 272 178-519 1067-1362(2146)
61 UniRef100_A0A0C9M025 Protein S 100.0 2.9E-34 5.4E-40 309.8 0.0 293 183-518 80-374 (1716)
62 UniRef100_A0A2G9RBF7 VLIG-type 100.0 4.3E-34 9.3E-40 333.3 0.0 272 178-519 1592-1887(2586)
63 UniRef100_UPI001884D99D protei 100.0 6.1E-34 1.1E-39 269.3 0.0 258 171-436 59-316 (330)
64 UniRef100_A0A2Z6MRU6 Uncharact 100.0 1.2E-33 2.2E-39 270.0 0.0 261 178-519 51-323 (331)
65 UniRef100_A0A1B8Y3U7 VLIG-type 100.0 3.1E-33 6.4E-39 318.8 0.0 272 178-519 1072-1367(2103)
66 UniRef100_A0A060XQH1 Interfero 100.0 7E-33 1.5E-38 323.2 0.0 271 178-519 1485-1778(2708)
67 UniRef100_U4UDY1 PPIase cyclop 99.9 4E-32 7.4E-38 276.7 0.0 255 175-438 417-703 (720)
68 UniRef100_A0A6A4VPD4 Protein S 99.9 4.6E-32 8.6E-38 258.5 0.0 260 173-438 65-324 (329)
69 UniRef100_A0A1Y1IK83 Putative 99.9 6.7E-32 1.3E-37 276.7 0.0 341 178-519 63-594 (602)
70 UniRef100_UPI0021C2CE10 nonsen 99.9 8.9E-32 1.6E-37 257.2 0.0 216 173-394 92-355 (358)
71 UniRef100_A0A0V0S0J0 Protein S 99.9 1.1E-31 2.1E-37 267.8 0.0 317 178-518 207-525 (532)
72 UniRef100_A0A444URU4 Interfero 99.9 1.4E-31 2.9E-37 302.5 0.0 272 178-519 568-863 (1575)
73 UniRef100_A0A7I8VUE1 DgyrCDS84 99.9 2.8E-31 5.1E-37 259.3 0.0 317 174-520 119-438 (438)
74 UniRef100_A0A0S7KE40 SMG9 (Fra 99.9 3.4E-31 6.3E-37 239.0 0.0 180 1-196 1-184 (205)
75 UniRef100_A0A194PHS5 Protein S 99.9 3.4E-31 6.3E-37 238.1 0.0 193 312-520 1-205 (205)
76 UniRef100_UPI001A7E94A8 protei 99.9 4.5E-31 8.3E-37 236.8 0.0 154 367-520 22-207 (207)
77 UniRef100_A0A3B0J7M2 Blast:Pro 99.9 4.5E-31 9E-37 268.8 0.0 268 171-501 149-434 (486)
78 UniRef100_A0A6J2J007 Protein S 99.9 5.5E-31 1E-36 241.6 0.0 238 1-330 1-240 (241)
79 UniRef100_A0A2U9BAJ0 Putative 99.9 8.8E-31 1.8E-36 294.8 0.0 270 178-519 1083-1376(2145)
80 UniRef100_A0A1I7UX75 Protein S 99.9 1.1E-30 2.3E-36 260.9 0.0 302 175-518 59-362 (386)
81 UniRef100_A0A151SD51 Protein S 99.9 1.4E-30 2.7E-36 248.0 0.0 196 178-373 72-284 (284)
82 UniRef100_A0A8J7NY31 GVIN1 GTP 99.9 1.5E-30 3.2E-36 300.6 0.0 272 178-519 588-883 (1735)
83 UniRef100_A0A060Z7F6 VLIG-type 99.9 1.9E-30 3.9E-36 295.2 0.0 270 178-519 970-1263(1747)
84 UniRef100_A0A2D4IE60 Uncharact 99.9 2.5E-30 4.6E-36 238.4 0.0 175 177-351 1-216 (240)
85 UniRef100_A0A367KS25 chitin sy 99.9 2.7E-30 4.9E-36 274.1 0.0 294 186-518 1000-1295(1302)
86 UniRef100_UPI0006D72D13 protei 99.9 3.1E-30 5.7E-36 225.6 0.0 168 61-228 1-168 (174)
87 UniRef100_A0A2I4D185 Up-regula 99.9 3.5E-30 7.4E-36 293.0 0.0 271 178-519 807-1100(1686)
88 UniRef100_A0A452I5U0 VLIG-type 99.9 6E-30 1.2E-35 283.1 0.0 270 178-517 775-1068(1374)
89 UniRef100_UPI000FFBAE4B protei 99.9 2.8E-29 5.2E-35 230.3 0.0 144 165-342 11-154 (246)
90 UniRef100_A0A3B3S4Y5 VLIG-type 99.9 2.6E-29 5.6E-35 268.9 0.0 268 178-517 330-621 (679)
91 UniRef100_A0A7R9A3A9 Protein S 99.9 3.3E-29 6.1E-35 236.3 0.0 205 172-388 89-294 (310)
92 UniRef100_A0A6A7FS20 Protein S 99.9 4E-29 7.6E-35 255.7 0.0 314 168-520 254-578 (578)
93 UniRef100_A0A3N0YFN8 Interfero 99.9 5.1E-29 1.1E-34 286.4 0.0 271 178-519 1582-1875(2573)
94 UniRef100_A0A8J1LSY5 Uncharact 99.9 6E-29 1.2E-34 286.1 0.0 271 178-519 1930-2223(2914)
95 UniRef100_A0A2F0BDB1 Nonsense- 99.9 9.2E-29 1.7E-34 223.9 0.0 173 101-273 1-173 (205)
96 UniRef100_A0A2G8L1P6 Protein S 99.9 1.2E-28 2.2E-34 236.2 0.0 174 170-343 158-331 (342)
97 UniRef100_A0A3P8Y460 Protein-t 99.9 1.3E-28 2.5E-34 279.7 0.0 270 178-519 2612-2904(3609)
98 UniRef100_A0A0K0D064 Protein S 99.9 2E-28 3.8E-34 241.9 0.0 309 173-518 108-421 (422)
99 UniRef100_A0A8T2MSB7 Interfero 99.9 2E-28 4E-34 271.9 0.0 272 178-519 1092-1387(1751)
100 UniRef100_A0A182HPF6 Uncharact 99.9 2.4E-28 4.9E-34 247.0 0.0 279 175-518 100-385 (413)
101 UniRef100_A0A8S1J1X1 Protein S 99.9 4.1E-28 7.5E-34 236.9 0.0 316 180-518 75-412 (423)
102 UniRef100_A0A2J8RT98 Nonsense- 99.9 4.1E-28 7.8E-34 211.5 0.0 141 132-272 3-143 (157)
103 UniRef100_A0A813YY76 Protein S 99.9 4.5E-28 8.3E-34 246.7 0.0 325 169-519 211-613 (617)
104 UniRef100_A0A822G5R2 Nonsense- 99.9 6E-28 1.1E-33 219.7 0.0 181 51-248 11-194 (228)
105 UniRef100_A0A5F8H0N0 VLIG-type 99.9 6.5E-28 1.3E-33 252.8 0.0 270 178-517 355-648 (659)
106 UniRef100_A0A2I4C9M8 Interfero 99.9 8.2E-28 1.6E-33 258.1 0.0 269 178-519 387-680 (1045)
107 UniRef100_UPI000CE63913 LOW QU 99.9 1.2E-27 2.3E-33 252.0 0.0 272 178-519 74-368 (740)
108 UniRef100_A0A803K8D7 VLIG-type 99.9 1.2E-27 2.4E-33 265.1 0.0 272 178-519 669-964 (1702)
109 UniRef100_A0A151ZH77 Protein S 99.9 2E-27 4E-33 249.6 0.0 336 177-519 140-561 (669)
110 UniRef100_A0A401Q1A0 VLIG-type 99.9 1.9E-27 4.3E-33 282.4 0.0 272 178-519 1276-1572(2308)
111 UniRef100_A0A6A5CCN4 Protein S 99.9 3E-27 5.8E-33 243.2 0.0 278 201-519 298-603 (611)
112 UniRef100_A0A3P9PR10 VLIG-type 99.9 3.1E-27 6E-33 255.5 0.0 272 178-519 619-913 (1086)
113 UniRef100_A0A6P8VBS1 Interfero 99.9 3.4E-27 6.5E-33 246.5 0.0 272 178-519 238-532 (717)
114 UniRef100_UPI000644A02D hypoth 99.9 4.5E-27 8.2E-33 233.8 0.0 300 179-519 189-500 (506)
RHD3- 99.9 4.5E-27 8.3E-33 234.5 0.0 284 179-519 209-521 (522)
116 UniRef100_A0A0K2V0L5 Protein S 99.9 5E-27 9.2E-33 233.0 0.0 316 171-510 100-441 (495)
117 UniRef100_A0A016U1E3 Protein S 99.9 5.9E-27 1.1E-32 230.2 0.0 314 175-518 110-431 (432)
118 UniRef100_UPI00073841B4 LOW QU 99.9 8.1E-27 1.5E-32 211.4 0.0 171 200-383 45-217 (219)
119 UniRef100_A0A6B2LDD5 Protein S 99.9 8.3E-27 1.5E-32 217.3 0.0 219 178-397 19-268 (273)
120 UniRef100_A0A1Y1V8S5 G domain- 99.9 8.5E-27 1.6E-32 234.0 0.0 305 177-508 120-469 (493)
121 UniRef100_UPI0011CF5796 up-reg 99.9 8.9E-27 1.6E-32 227.5 0.0 272 178-519 75-370 (416)
122 UniRef100_A0A7C9DN91 Protein S 99.9 1.2E-26 2.3E-32 209.4 0.0 178 196-373 2-198 (199)
123 UniRef100_A0A8C3FBN6 VLIG-type 99.9 1.2E-26 2.4E-32 252.0 0.0 272 178-519 569-864 (1294)
124 UniRef100_A0A3P9B9W3 Si:dkey-8 99.9 1.3E-26 2.6E-32 250.1 0.0 268 178-518 774-1066(1104)
125 UniRef100_A0A0N4UQU4 Protein S 99.9 1.7E-26 3.3E-32 219.1 0.0 253 249-518 8-269 (276)
126 UniRef100_A0A2S2N5G1 Protein S 99.9 2E-26 3.7E-32 194.7 0.0 132 250-382 2-133 (134)
127 UniRef100_UPI0013AF787C interf 99.9 2.5E-26 4.7E-32 228.8 0.0 270 178-519 98-391 (477)
128 UniRef100_A0A1D1XV50 Protein S 99.9 2.4E-26 4.9E-32 223.3 0.0 161 178-338 92-258 (279)
129 UniRef100_A0A813SBM4 Protein S 99.9 3.1E-26 5.7E-32 237.8 0.0 221 176-405 266-546 (765)
130 UniRef100_A0A0W8CFH0 SMG9 prot 99.9 3E-26 6E-32 242.3 0.0 323 169-516 321-675 (681)
131 UniRef100_A0A4W6FFN2 VLIG-type 99.9 2.9E-26 6.3E-32 261.2 0.0 271 178-518 701-994 (1355)
132 UniRef100_A0A6V7V7K7 Uncharact 99.9 4.9E-26 8.9E-32 225.1 0.0 300 174-509 81-384 (470)
133 UniRef100_A0A183BWC9 Uncharact 99.9 9.2E-26 1.7E-31 227.4 0.0 289 175-509 120-410 (550)
134 UniRef100_A0A0S7KDM7 SMG9 (Fra 99.9 1.9E-25 3.6E-31 192.2 0.0 120 249-368 2-121 (140)
135 UniRef100_A0A0A9JYG4 Uncharact 99.9 2E-25 4.2E-31 209.8 0.0 174 326-519 12-197 (205)
136 UniRef100_A0A081B4E3 Protein S 99.9 2.1E-25 4.2E-31 231.5 0.0 326 167-516 152-521 (527)
137 UniRef100_A0A6G0HDJ4 Interfero 99.9 2.4E-25 4.7E-31 225.3 0.0 259 178-508 201-482 (484)
138 UniRef100_A0A1U7ZQC5 Protein R 99.9 2.4E-25 5.1E-31 246.5 0.0 248 177-512 45-318 (834)
139 UniRef100_A0A8S1HNA0 Sugar pho 99.9 4.1E-25 7.5E-31 228.7 0.0 284 173-506 121-406 (795)
RHD3- 99.8 5.5E-25 1.1E-30 246.1 0.0 249 176-512 188-461 (1148)
141 UniRef100_A0A068Y5F0 Protein S 99.8 5.5E-25 1.2E-30 241.7 0.0 203 141-344 68-298 (800)
142 UniRef100_A0A059LSD1 Root hair 99.8 6.1E-25 1.2E-30 223.0 0.0 248 177-512 27-299 (408)
143 UniRef100_UPI000E1BB85E LOW QU 99.8 7.4E-25 1.4E-30 191.1 0.0 163 304-520 1-163 (163)
144 UniRef100_A0A1S8VQJ0 Protein S 99.8 7.8E-25 1.5E-30 230.8 0.0 323 177-513 311-716 (765)
145 UniRef100_A0A060Z6H1 VLIG-type 99.8 8.7E-25 1.7E-30 236.5 0.0 270 178-519 505-797 (1218)
146 UniRef100_A0A818NUQ7 Uncharact 99.8 1E-24 1.9E-30 226.5 0.0 324 170-520 422-828 (828)
147 UniRef100_A0A4W5L2Y0 VLIG-type 99.8 1E-24 2E-30 231.2 0.0 268 179-518 418-709 (813)
148 UniRef100_A0A177ATE7 Protein S 99.8 1.1E-24 2E-30 215.7 0.0 322 177-519 119-465 (466)
149 UniRef100_A0A0V1A202 Nuclear e 99.8 1.1E-24 2.1E-30 233.6 0.0 251 178-439 214-465 (1402)
150 UniRef100_A0A6J8A338 VLIG-type 99.8 9.6E-25 2.2E-30 261.4 0.0 274 177-519 1087-1379(2281)
151 UniRef100_A0A974C1I0 VLIG-type 99.8 1.2E-24 2.3E-30 219.6 0.0 269 178-519 225-516 (579)
152 UniRef100_A0A3B3VS00 VLIG-type 99.8 1.2E-24 2.3E-30 232.1 0.0 268 178-519 286-575 (744)
153 UniRef100_A0A0D8XXH7 Protein S 99.8 1.4E-24 2.6E-30 219.1 0.0 298 173-496 180-480 (576)
154 UniRef100_A0A7S0GQ65 Protein S 99.8 2E-24 3.7E-30 217.4 0.0 309 178-519 128-458 (556)
155 UniRef100_A0A210R4J2 Protein S 99.8 2.4E-24 4.7E-30 180.8 0.0 110 408-520 1-110 (110)
156 UniRef100_A0A163IXF8 Protein S 99.8 2.8E-24 5.2E-30 208.5 0.0 194 180-382 107-303 (378)
157 UniRef100_F4PNL6 Thioredoxin d 99.8 3.4E-24 6.3E-30 220.6 0.0 335 178-519 347-723 (730)
RHD3- 99.8 3.1E-24 6.4E-30 223.4 0.0 249 175-512 14-288 (513)
159 UniRef100_A0A4Z2FL19 Interfero 99.8 3.5E-24 6.5E-30 206.6 0.0 246 202-519 6-266 (342)
160 UniRef100_A0A443QUY9 SMG9-like 99.8 3.5E-24 7E-30 217.8 0.0 158 177-342 159-328 (429)
161 UniRef100_A0A814EC78 G-protein 99.8 4.4E-24 8E-30 229.3 0.0 312 174-511 235-618 (1415)
162 UniRef100_A0A1D1W8V3 Protein S 99.8 4.5E-24 8.3E-30 215.2 0.0 315 175-518 220-556 (563)
163 UniRef100_UPI000CE63145 up-reg 99.8 5.4E-24 9.9E-30 222.8 0.0 262 188-519 216-496 (910)
164 UniRef100_R1E1J4 Protein SMG9 99.8 7.4E-24 1.4E-29 197.0 0.0 227 188-518 5-251 (259)
165 UniRef100_A0A061REC9 Protein s 99.8 7E-24 1.4E-29 214.5 0.0 304 179-516 70-411 (430)
166 UniRef100_A0A1D6NK24 Protein R 99.8 7.9E-24 1.6E-29 230.2 0.0 248 177-512 33-305 (789)
RHD3- 99.8 8E-24 1.7E-29 220.1 0.0 249 177-512 20-292 (490)
168 UniRef100_A0A061GC38 Protein R 99.8 8.2E-24 1.7E-29 231.4 0.0 250 175-512 69-343 (881)
169 UniRef100_A0A444UXS4 Interfero 99.8 7.8E-24 1.7E-29 250.6 0.0 270 178-519 1460-1751(2438)
170 UniRef100_A0A0P7VN23 VLIG-type 99.8 8.5E-24 1.8E-29 240.4 0.0 270 178-519 525-813 (1526)
171 UniRef100_A0A6F9ATC7 VLIG-type 99.8 9.4E-24 1.8E-29 227.8 0.0 270 178-518 347-640 (1044)
172 UniRef100_A0A0B2VPV6 Protein S 99.8 1.4E-23 2.5E-29 203.4 0.0 168 176-343 154-328 (347)
173 UniRef100_A0A8J1XSB8 Ofus.G072 99.8 1.5E-23 2.9E-29 203.8 0.0 164 95-277 124-287 (335)
174 UniRef100_A0A915KI62 Uncharact 99.8 2.2E-23 4E-29 202.4 0.0 195 303-520 183-377 (377)
175 UniRef100_A0A6J0SF58 Interfero 99.8 2.5E-23 4.7E-29 215.4 0.0 245 205-519 2-262 (617)
176 UniRef100_A0A0L0HK39 G domain- 99.8 2.9E-23 5.2E-29 208.1 0.0 304 179-519 143-510 (520)
177 UniRef100_UPI001643F58A LOW QU 99.8 2.9E-23 5.4E-29 223.1 0.0 268 178-518 866-1158(1397)
178 UniRef100_UPI001953008B interf 99.8 3E-23 5.7E-29 229.1 0.0 269 178-518 1414-1706(1747)
179 UniRef100_A0A091CY56 Interfero 99.8 2.9E-23 6.2E-29 246.3 0.0 273 178-519 1849-2140(2912)
th 99.8 3.5E-23 6.7E-29 219.1 0.0 288 192-494 589-891 (891)
181 UniRef100_A0A2A2JCR6 Protein S 99.8 3.7E-23 6.9E-29 205.5 0.0 301 174-504 126-433 (473)
182 UniRef100_UPI00165A93F8 interf 99.8 5.9E-23 1.1E-28 225.8 0.0 270 178-519 1076-1369(2079)
183 UniRef100_A0A8T2P7T9 Interfero 99.8 7E-23 1.3E-28 222.0 0.0 272 178-519 1145-1441(1645)
184 UniRef100_A0A3P9A584 VLIG-type 99.8 7.7E-23 1.6E-28 235.8 0.0 270 178-519 917-1208(1905)
185 UniRef100_A0A8C4SH84 Interfero 99.8 9E-23 1.8E-28 226.8 0.0 269 178-519 667-959 (1082)
186 UniRef100_A0A0A1UC35 Protein S 99.8 9.1E-23 2.1E-28 232.0 0.0 255 175-512 84-360 (940)
187 UniRef100_A0A061R475 Protein r 99.8 9.9E-23 2.2E-28 228.8 0.0 254 175-512 11-288 (872)
188 UniRef100_UPI001CF7D2A3 LOW QU 99.8 1.3E-22 2.3E-28 223.4 0.0 271 178-518 1369-1663(2368)
189 UniRef100_A0A4C1V7S5 Protein S 99.8 1.4E-22 2.5E-28 203.2 0.0 160 170-332 257-459 (513)
190 UniRef100_A0A915DL40 Uncharact 99.8 2.6E-22 4.8E-28 183.6 0.0 204 177-411 1-205 (224)
191 UniRef100_A0A6A3D796 Copine fa 99.8 2.7E-22 5.1E-28 190.4 0.0 194 179-397 46-258 (275)
192 UniRef100_A0A1B8Y109 VLIG-type 99.8 2.9E-22 6.1E-28 236.6 0.0 271 178-519 1656-1945(2643)
193 UniRef100_A0A915G513 Uncharact 99.8 4E-22 7.3E-28 216.2 0.0 294 175-505 833-1131(1597)
194 UniRef100_A0A2G8JWD9 Putative 99.8 4.2E-22 8.8E-28 215.3 0.0 269 178-518 350-637 (688)
195 UniRef100_UPI001E1C60EC LOW QU 99.8 5E-22 9.1E-28 216.5 0.0 270 178-519 666-958 (1770)
196 UniRef100_UPI00105530E5 interf 99.8 5.7E-22 1.1E-27 219.9 0.0 270 178-519 1418-1709(2441)
197 UniRef100_A0A1U8C3H7 LOW QUALI 99.8 4.9E-22 1.1E-27 234.5 0.0 272 178-519 1408-1698(2408)
198 UniRef100_A0A0N4TCZ7 Uncharact 99.8 6E-22 1.1E-27 187.3 0.0 258 224-518 2-271 (278)
199 UniRef100_UPI00211EDD12 nonsen 99.8 6.2E-22 1.1E-27 202.1 0.0 172 178-349 161-375 (625)
200 UniRef100_UPI0023022E92 LOW QU 99.8 7.1E-22 1.3E-27 216.8 0.0 271 178-519 1781-2074(2079)
201 UniRef100_A0A131XAJ1 Putative 99.8 7.8E-22 1.4E-27 173.9 0.0 168 302-483 1-168 (170)
202 UniRef100_A0A8B7K0A9 Interfero 99.8 7.2E-22 1.6E-27 234.8 0.0 273 178-519 1308-1599(2290)
203 UniRef100_A0A2M4BQT8 Protein S 99.8 9.2E-22 1.7E-27 195.9 0.0 270 176-518 114-394 (411)
204 UniRef100_A0A267GVL1 VLIG-type 99.8 8.9E-22 1.8E-27 223.3 0.0 274 178-519 725-1017(1394)
205 UniRef100_A0A3B4D326 VLIG-type 99.8 1.2E-21 2.2E-27 209.5 0.0 273 177-519 599-894 (1208)
206 UniRef100_A0A2D0S0W5 Interfero 99.8 1.1E-21 2.3E-27 228.1 0.0 270 178-519 1204-1492(2420)
207 UniRef100_UPI0022203686 unchar 99.7 1.7E-21 3.1E-27 205.0 0.0 209 172-386 443-674 (926)
208 UniRef100_UPI000497F436 interf 99.7 1.7E-21 3.1E-27 214.0 0.0 270 178-519 569-863 (2114)
209 UniRef100_UPI00129DE30E protei 99.7 1.7E-21 3.2E-27 180.2 0.0 152 58-229 86-237 (242)
210 UniRef100_A0A1S3SM16 Up-regula 99.7 1.8E-21 3.5E-27 218.7 0.0 267 178-518 1057-1345(1604)
211 UniRef100_A0A556V365 Kinesin-l 99.7 2E-21 3.6E-27 213.8 0.0 270 178-517 1896-2188(2195)
212 UniRef100_UPI0015B235D2 interf 99.7 2E-21 3.8E-27 217.2 0.0 271 179-519 1368-1663(2372)
213 UniRef100_A0A261C3N8 Uncharact 99.7 2.6E-21 4.8E-27 182.4 0.0 210 177-400 1-210 (282)
214 UniRef100_UPI0015A7A7AE interf 99.7 2.5E-21 4.9E-27 216.0 0.0 274 178-519 737-1029(1474)
215 UniRef100_UPI001A7E4229 unchar 99.7 3.4E-21 6.2E-27 213.3 0.0 248 201-519 1629-1890(2585)
216 UniRef100_A0A060Y9C4 VLIG-type 99.7 3.5E-21 6.5E-27 208.4 0.0 269 178-518 823-1114(1487)
217 UniRef100_A0A8M1KCG0 Interfero 99.7 3.8E-21 7E-27 211.2 0.0 270 178-519 619-914 (2056)
218 UniRef100_A0A103XNZ8 Root hair 99.7 3.6E-21 7.1E-27 207.8 0.0 248 177-512 17-289 (825)
219 UniRef100_A0A6S7GCA8 Interfero 99.7 3.7E-21 7.7E-27 223.0 0.0 265 178-518 871-1160(1890)
220 UniRef100_A0A8T0BF36 VLIG-type 99.7 4.3E-21 7.8E-27 204.9 0.0 270 178-519 415-709 (1148)
221 UniRef100_A0A6J8CYQ9 VLIG-type 99.7 4.1E-21 8.2E-27 213.8 0.0 276 176-519 759-1052(1184)
222 UniRef100_A0A085N5I2 Uncharact 99.7 4.4E-21 8.2E-27 207.4 0.0 305 171-499 156-462 (1139)
223 UniRef100_A0A3N0Y9F5 Interfero 99.7 4.6E-21 9.3E-27 216.3 0.0 270 178-519 556-844 (1620)
224 UniRef100_A0A3N0XPW1 Interfero 99.7 4.7E-21 9.5E-27 216.2 0.0 270 178-519 873-1161(1440)
225 UniRef100_A0A6J2VQD1 Interfero 99.7 4.8E-21 9.5E-27 213.0 0.0 271 178-519 756-1047(1349)
226 UniRef100_A0A8J1LYU4 LOW QUALI 99.7 5.3E-21 9.7E-27 211.7 0.0 272 178-519 1529-1824(2519)
227 UniRef100_A0A803JF09 Uncharact 99.7 5.8E-21 1.1E-26 212.9 0.0 268 178-519 657-947 (3185)
228 UniRef100_A0A8J4TXY3 Up-regula 99.7 5.9E-21 1.1E-26 212.6 0.0 272 178-519 2100-2394(3048)
229 UniRef100_A0A6J2WY30 Interfero 99.7 6E-21 1.3E-26 226.4 0.0 270 178-519 2049-2337(3033)
230 UniRef100_A0A8J1LSX3 Uncharact 99.7 8.2E-21 1.5E-26 213.1 0.0 268 178-519 540-830 (4202)
RHD3- 99.7 8E-21 1.6E-26 205.7 0.0 248 176-512 26-299 (923)
232 UniRef100_A0A4D9DFZ3 Aminotran 99.7 8.3E-21 1.6E-26 209.8 0.0 237 178-484 1044-1310(1324)
233 UniRef100_UPI001E1D2B84 protei 99.7 9.3E-21 1.7E-26 171.8 0.0 186 61-271 13-203 (205)
234 UniRef100_A0A087Y2A4 VLIG-type 99.7 8.6E-21 1.8E-26 214.0 0.0 270 178-519 739-1027(1334)
235 UniRef100_A0A1S3N5W4 Prostagla 99.7 1E-20 1.9E-26 209.6 0.0 269 178-518 1541-1832(2536)
236 UniRef100_A0A2G8JZK7 Putative 99.7 9.9E-21 1.9E-26 197.9 0.0 272 178-518 158-448 (621)
237 UniRef100_A0A6P6J3J0 Interfero 99.7 1E-20 2E-26 210.4 0.0 270 178-518 1021-1311(1367)
238 UniRef100_A0A084WKZ2 AGAP00503 99.7 1.3E-20 2.4E-26 187.0 0.0 279 176-518 86-370 (397)
239 UniRef100_A0A803JF09 Uncharact 99.7 1.5E-20 2.8E-26 209.7 0.0 268 178-519 2208-2498(3185)
240 UniRef100_A0A5A9NBU7 Interfero 99.7 1.4E-20 2.8E-26 218.7 0.0 270 178-519 1551-1839(2586)
241 UniRef100_A0A8R1YCD1 Smg-9 n=2 99.7 2.1E-20 3.8E-26 203.2 0.0 325 175-505 456-832 (1567)
242 UniRef100_A0A8J1LSX3 Uncharact 99.7 2.1E-20 3.9E-26 210.0 0.0 268 178-519 3225-3515(4202)
243 UniRef100_A0A267EQ35 VLIG-type 99.7 2E-20 3.9E-26 199.4 0.0 263 189-519 11-286 (691)
244 UniRef100_UPI000DF15C9A interf 99.7 2.2E-20 4.1E-26 191.7 0.0 251 178-498 269-544 (643)
245 UniRef100_A0A261Y7L8 Protein S 99.7 3.2E-20 5.9E-26 183.3 0.0 291 179-515 102-408 (420)
246 UniRef100_A0A6M2E1P3 Putative 99.7 3.5E-20 6.4E-26 153.2 0.0 105 302-409 1-105 (110)
247 UniRef100_UPI001F07DDA6 protei 99.7 3.6E-20 6.7E-26 162.6 0.0 128 205-338 2-130 (162)
248 UniRef100_A0A078FDR7 Protein R 99.7 3.7E-20 7E-26 200.7 0.0 248 176-512 393-666 (1182)
249 UniRef100_UPI0014029B70 unchar 99.7 3.9E-20 7.1E-26 207.3 0.0 273 178-518 2386-2679(3581)
250 UniRef100_A0A8B6BYU2 VLIG-type 99.7 3.6E-20 7.2E-26 207.6 0.0 274 178-519 327-618 (1347)
251 UniRef100_D3BUJ6 Protein serin 99.7 4.3E-20 7.9E-26 201.8 0.0 264 178-519 1463-1726(1733)
252 UniRef100_A0A3N0XKU7 Interfero 99.7 4E-20 8E-26 212.6 0.0 270 178-519 1129-1417(2124)
253 UniRef100_A0A8S3CFF6 Uncharact 99.7 4.4E-20 8E-26 181.8 0.0 217 174-403 112-349 (407)
254 UniRef100_A0A3Q2D6N9 VLIG-type 99.7 4.8E-20 9.2E-26 191.0 0.0 209 178-438 277-508 (561)
255 UniRef100_A0A060X666 VLIG-type 99.7 4.9E-20 9.9E-26 213.0 0.0 270 178-519 1042-1330(2058)
256 UniRef100_A0A0S7LQ99 GVIN1 (Fr 99.7 5.3E-20 1.1E-25 197.6 0.0 270 178-519 147-435 (768)
257 UniRef100_UPI001AADAB52 up-reg 99.7 5.7E-20 1.1E-25 201.5 0.0 266 178-515 805-1093(1287)
258 UniRef100_A0A553QL00 VLIG-type 99.7 6.1E-20 1.2E-25 202.4 0.0 273 178-519 409-700 (1176)
259 UniRef100_B3RI59 Uncharacteriz 99.7 6.7E-20 1.2E-25 165.4 0.0 190 301-496 2-195 (196)
260 UniRef100_A0A0H5QIZ7 Protein S 99.7 7.1E-20 1.4E-25 183.1 0.0 298 177-519 86-388 (395)
261 UniRef100_UPI001B7FFFED protei 99.7 7.7E-20 1.4E-25 182.5 0.0 170 52-229 257-461 (466)
RHD3- 99.7 7.8E-20 1.5E-25 200.3 0.0 249 176-512 7-280 (1316)
263 UniRef100_A0A7G3AV56 Protein s 99.7 8.6E-20 1.6E-25 179.9 0.0 278 176-518 102-382 (409)
264 UniRef100_A0A7J6AE23 VLIG-type 99.7 8.1E-20 1.6E-25 206.7 0.0 270 178-519 872-1160(1702)
265 UniRef100_A0A0M3QZR0 CG3857 (F 99.7 9.9E-20 1.8E-25 173.2 0.0 245 176-503 3-261 (296)
266 UniRef100_UPI00142555F5 interf 99.7 9.5E-20 1.9E-25 206.9 0.0 264 178-518 641-930 (1630)
267 UniRef100_A0A7J6D6Y9 VLIG-type 99.7 1.1E-19 2E-25 197.6 0.0 268 179-519 830-1120(1514)
268 UniRef100_A0A061IE60 Interfero 99.7 1E-19 2E-25 210.8 0.0 272 178-518 1618-1908(2746)
269 UniRef100_A0A3B1IVI2 VLIG-type 99.7 1.1E-19 2.1E-25 202.3 0.0 269 178-518 798-1085(1330)
270 UniRef100_A0A6A6M2B6 G domain- 99.7 1.2E-19 2.2E-25 173.1 0.0 110 178-287 58-168 (274)
271 UniRef100_UPI000E40DDEE protei 99.7 1.2E-19 2.2E-25 146.7 0.0 77 444-520 20-96 (96)
RHD3- 99.7 1.2E-19 2.4E-25 191.3 0.0 248 177-512 4-276 (624)
273 UniRef100_A0A3Q3LB49 Interfero 99.7 1.3E-19 2.5E-25 208.8 0.0 270 178-519 1544-1832(2565)
274 UniRef100_A0A7S4FBX1 Protein S 99.7 1.6E-19 2.9E-25 156.9 0.0 144 203-346 1-148 (149)
275 UniRef100_A0A3B4DZL8 Interfero 99.7 1.6E-19 3.2E-25 210.2 0.0 270 178-519 2086-2374(3107)
276 UniRef100_A0A010QKB1 Protein S 99.7 1.4E-19 3.2E-25 210.4 0.0 256 175-512 273-560 (1300)
277 UniRef100_A0A1I8GK51 VLIG-type 99.7 1.6E-19 3.3E-25 209.1 0.0 266 179-517 869-1156(1893)
278 UniRef100_UPI001E1D4847 interf 99.6 2E-19 4.5E-25 214.8 0.0 274 178-518 896-1192(2032)
279 UniRef100_A0A914JRN4 Uncharact 99.6 2.6E-19 4.8E-25 184.6 0.0 304 177-508 279-654 (662)
280 UniRef100_A0A1I7RPS7 (pine woo 99.6 2.6E-19 4.9E-25 182.1 0.0 252 203-486 66-319 (567)
281 UniRef100_A0A8X7X7B6 GVIN1 GTP 99.6 3.9E-19 7.6E-25 198.2 0.0 276 178-519 422-718 (1464)
282 UniRef100_A0A8J5A7I6 Interfero 99.6 3.9E-19 7.8E-25 207.6 0.0 274 178-519 1626-1918(2801)
283 UniRef100_A0A811K5I1 Sugar pho 99.6 4.7E-19 8.5E-25 187.5 0.0 239 178-432 41-280 (929)
284 UniRef100_A0A8S3RHX1 Interfero 99.6 5E-19 9.5E-25 180.6 0.0 272 178-518 167-457 (474)
285 UniRef100_A0A565B1W6 Protein R 99.6 5.6E-19 1.1E-24 191.7 0.0 250 174-512 399-674 (1189)
286 UniRef100_A0A1V4K2X3 Uncharact 99.6 6.3E-19 1.2E-24 149.3 0.0 115 205-331 2-116 (117)
287 UniRef100_A0A7R8HEK1 SMG9 n=1 99.6 6.9E-19 1.3E-24 174.0 0.0 182 172-371 143-332 (414)
288 UniRef100_UPI002307F3B5 nonsen 99.6 8.6E-19 1.6E-24 165.5 0.0 155 180-342 3-170 (273)
289 UniRef100_UPI001C3C8DD0 up-reg 99.6 1E-18 1.9E-24 185.3 0.0 269 178-517 598-889 (951)
290 UniRef100_A0A058Z096 Protein S 99.6 8.7E-19 1.9E-24 200.4 0.0 254 177-512 188-462 (1057)
291 UniRef100_A0A813WG44 VLIG-type 99.6 8.9E-19 1.9E-24 209.7 0.0 262 177-517 1151-1426(2447)
292 UniRef100_A0A5E4CR75 VLIG-type 99.6 1E-18 1.9E-24 193.8 0.0 268 178-517 580-869 (1215)
293 UniRef100_UPI001E1D3F92 interf 99.6 9.3E-19 2E-24 203.7 0.0 270 179-518 361-654 (1396)
294 UniRef100_A0A401PYH5 Uncharact 99.6 1.3E-18 2.4E-24 162.1 0.0 109 331-439 13-121 (244)
295 UniRef100_A0A813VHJ1 VLIG-type 99.6 1.4E-18 2.9E-24 204.6 0.0 260 178-517 953-1227(2293)
296 UniRef100_UPI001E8CBE7A up-reg 99.6 1.7E-18 3.1E-24 186.5 0.0 228 178-475 962-1212(1213)
RHD3- 99.6 1.6E-18 3.2E-24 200.9 0.0 246 178-512 198-466 (1826)
298 UniRef100_UPI001F08709B interf 99.6 1.8E-18 3.2E-24 192.0 0.0 270 178-519 1301-1592(2297)
299 UniRef100_M7CIE8 Up-regulator 99.6 1.8E-18 3.3E-24 188.5 0.0 251 178-519 954-1217(1512)
300 UniRef100_A0A1J4JSN9 Protein S 99.6 1.9E-18 4.1E-24 191.5 0.0 248 182-512 3-271 (822)
301 UniRef100_A0A183ICS9 Protein S 99.6 2.3E-18 4.2E-24 149.3 0.0 138 222-367 2-139 (145)
302 UniRef100_A0A250WPI7 Protein S 99.6 2.5E-18 4.6E-24 172.7 0.0 257 247-512 146-464 (480)
303 UniRef100_F2TX72 Protein SMG9 99.6 2.5E-18 4.7E-24 175.9 0.0 218 177-396 219-444 (590)
304 UniRef100_UPI00072E74D2 interf 99.6 2.5E-18 4.9E-24 192.9 0.0 269 178-518 872-1159(1389)
RHD3- 99.6 3.1E-18 5.9E-24 180.0 0.0 249 176-512 2-275 (623)
306 UniRef100_A0A8B6HMX7 VLIG-type 99.6 3.2E-18 6E-24 188.5 0.0 276 176-518 1010-1303(1864)
307 UniRef100_F6YIT4 SMG9 nonsense 99.6 3.5E-18 6.3E-24 143.5 0.0 81 358-438 34-114 (118)
308 UniRef100_A0A3B1JQG8 VLIG-type 99.6 3.6E-18 7E-24 193.0 0.0 270 178-519 779-1067(1754)
309 UniRef100_UPI00106965F0 interf 99.6 4E-18 7.8E-24 190.0 0.0 268 178-518 691-981 (1357)
RHD3- 99.6 6.1E-18 1.1E-23 156.7 0.0 169 177-393 6-195 (213)
311 UniRef100_A0A2D4BQD4 Uncharact 99.6 6.4E-18 1.2E-23 164.1 0.0 208 179-394 12-249 (342)
312 UniRef100_A0A8S3QLH1 VLIG-type 99.6 7.2E-18 1.4E-23 170.5 0.0 263 190-519 7-282 (435)
313 UniRef100_A0A8C5DE82 Up-regula 99.6 7.6E-18 1.4E-23 182.7 0.0 272 178-519 913-1205(1335)
314 UniRef100_A0A0B0PW33 Root hair 99.6 8E-18 1.5E-23 170.6 0.0 247 177-512 4-276 (427)
315 UniRef100_A0A0X3NVX6 Protein S 99.6 8.9E-18 1.7E-23 165.4 0.0 176 168-344 29-227 (374)
316 UniRef100_A0A4W2GE16 VLIG-type 99.6 9.2E-18 1.8E-23 188.9 0.0 266 178-518 773-1063(1409)
317 UniRef100_A0A507C1A6 Uncharact 99.6 9.7E-18 1.8E-23 176.8 0.0 292 177-508 291-618 (699)
318 UniRef100_A0A177W8Z7 Uncharact 99.6 1.1E-17 1.9E-23 179.7 0.0 323 178-514 662-1069(1112)
319 UniRef100_A0A0L0S082 Protein S 99.5 9.8E-18 2.2E-23 190.7 0.0 249 178-512 66-338 (948)
320 UniRef100_A0A8K1FPD1 Protein S 99.5 1.2E-17 2.2E-23 169.5 0.0 190 177-374 192-410 (529)
321 UniRef100_A0A8T2N101 VLIG-type 99.5 1.3E-17 2.4E-23 176.2 0.0 271 178-518 296-587 (784)
322 UniRef100_UPI00074FBB6E LOW QU 99.5 1.3E-17 2.6E-23 188.0 0.0 219 178-517 941-1172(1791)
RHD3- 99.5 1.3E-17 2.6E-23 185.1 0.0 249 175-512 37-307 (1124)
324 UniRef100_A0A6G0J2E7 Interfero 99.5 1.8E-17 3.2E-23 159.3 0.0 213 178-446 15-250 (309)
325 UniRef100_A0A267DJV6 VLIG-type 99.5 1.7E-17 3.3E-23 190.4 0.0 275 177-519 1348-1642(2399)
326 UniRef100_UPI0020154093 LOW QU 99.5 1.9E-17 3.5E-23 181.5 0.0 271 178-518 382-673 (1610)
327 UniRef100_A0A061HUF7 Protein S 99.5 2.1E-17 4E-23 146.3 0.0 108 196-303 21-128 (158)
328 UniRef100_A0A6P6QPT7 Interfero 99.5 2.1E-17 4.1E-23 190.6 0.0 270 178-519 1758-2046(2806)
329 UniRef100_A0A8T2MV86 VLIG-type 99.5 2.2E-17 4.1E-23 176.0 0.0 271 178-518 214-505 (986)
330 UniRef100_A0A507CNA6 RRM domai 99.5 2.6E-17 4.7E-23 175.7 0.0 293 175-508 289-618 (994)
331 UniRef100_A0A2P6VLJ9 SMG9-like 99.5 2.7E-17 4.9E-23 177.6 0.0 319 181-518 46-423 (1209)
332 UniRef100_A0A5E4CT16 VLIG-type 99.5 2.9E-17 5.6E-23 184.1 0.0 268 178-517 497-786 (1472)
333 UniRef100_A0A5C6MIQ7 Interfero 99.5 3.3E-17 6.2E-23 166.0 0.0 270 178-519 173-461 (461)
334 UniRef100_UPI001C0A5F06 up-reg 99.5 3.5E-17 6.5E-23 179.1 0.0 267 178-516 929-1218(1549)
335 UniRef100_A0A3M0J1N9 VLIG-type 99.5 3.4E-17 6.7E-23 189.5 0.0 273 178-519 1462-1753(2230)
336 UniRef100_A0A0B1SJL2 Protein S 99.5 4.5E-17 8.3E-23 146.1 0.0 157 173-332 8-171 (173)
337 UniRef100_A0A0B6Z176 Uncharact 99.5 5E-17 9.3E-23 140.4 0.0 127 385-520 4-136 (139)
338 UniRef100_A0A3Q3LDF2 Interfero 99.5 4.9E-17 9.6E-23 187.8 0.0 270 178-519 961-1249(2832)
339 UniRef100_UPI001E1D9372 interf 99.5 4.9E-17 9.8E-23 190.3 0.0 274 178-519 1448-1745(2473)
340 UniRef100_A0A915JXX5 Uncharact 99.5 5.6E-17 1E-22 156.5 0.0 127 176-302 159-285 (317)
341 UniRef100_A0A173GTR2 VLIG1 n=1 99.5 5.4E-17 1E-22 183.5 0.0 272 178-519 781-1074(1918)
342 UniRef100_A0A7J6DAX1 Interfero 99.5 6.1E-17 1.2E-22 183.5 0.0 268 178-518 1449-1735(1850)
343 UniRef100_A0A2G8L1N7 Uncharact 99.5 7.1E-17 1.3E-22 151.0 0.0 176 302-479 1-178 (244)
344 UniRef100_A0A210R3X1 Interfero 99.5 7.4E-17 1.4E-22 184.5 0.0 275 177-519 1568-1860(2592)
345 UniRef100_A0A2P6PEA3 Putative 99.5 7.4E-17 1.5E-22 156.0 0.0 172 177-395 3-197 (252)
346 UniRef100_A0A194PIQ7 Protein S 99.5 9.7E-17 1.8E-22 156.8 0.0 108 175-282 184-330 (354)
347 UniRef100_A0A8C1C4H5 VLIG-type 99.5 9.6E-17 1.8E-22 172.9 0.0 270 178-519 139-435 (975)
348 UniRef100_A0A7M5WQH1 Uncharact 99.5 1.2E-16 2.1E-22 146.6 0.0 165 339-516 1-172 (209)
349 UniRef100_UPI001C3F9BDB LOW QU 99.5 1.2E-16 2.1E-22 172.8 0.0 272 178-519 292-596 (1188)
350 UniRef100_A0A6P6YCT9 Uncharact 99.5 1.1E-16 2.2E-22 166.2 0.0 133 201-341 202-385 (506)
351 UniRef100_A0A6A5E8T9 VLIG-type 99.5 1.2E-16 2.3E-22 157.4 0.0 261 178-510 45-324 (341)
352 UniRef100_A0A6J8AAN7 VLIG-type 99.5 1.3E-16 2.4E-22 168.3 0.0 264 177-516 363-642 (643)
353 UniRef100_A0A3N0Y5E5 Interfero 99.5 1.3E-16 2.5E-22 181.9 0.0 270 178-519 1562-1850(2546)
354 UniRef100_A0A0A9PCG6 Uncharact 99.5 1.3E-16 2.6E-22 148.9 0.0 125 176-331 31-166 (188)
355 UniRef100_UPI0018913742 LOW QU 99.5 1.4E-16 2.7E-22 164.2 0.0 269 178-519 293-582 (616)
356 UniRef100_A0A814JWI2 VLIG-type 99.5 1.6E-16 3.1E-22 183.2 0.0 259 178-517 655-938 (2101)
357 UniRef100_A0A835D338 Protein R 99.5 1.7E-16 3.1E-22 171.2 0.0 254 177-512 322-601 (1141)
358 UniRef100_A0A9D3NP49 Uncharact 99.5 1.8E-16 3.3E-22 163.2 0.0 270 178-519 154-442 (599)
359 UniRef100_A0A087YS13 Upregulat 99.5 1.7E-16 3.4E-22 175.0 0.0 252 178-506 646-922 (922)
360 UniRef100_A0A817ZFP7 Uncharact 99.5 1.9E-16 3.6E-22 159.4 0.0 261 179-517 3-286 (393)
361 UniRef100_UPI0006AB59A5 interf 99.5 2.2E-16 4.1E-22 169.3 0.0 270 178-519 266-556 (913)
362 UniRef100_A0A8C1QUP3 Interfero 99.4 2.4E-16 4.6E-22 180.6 0.0 270 178-519 1754-2042(2743)
363 UniRef100_D5AEA1 Uncharacteriz 99.4 2.6E-16 4.8E-22 146.8 0.0 171 329-519 2-228 (236)
364 UniRef100_A0A1R3H361 Protein S 99.4 2.6E-16 5.1E-22 147.1 0.0 95 179-273 71-166 (202)
365 UniRef100_A0A1Y2B8L7 G domain- 99.4 2.9E-16 5.4E-22 161.6 0.0 267 197-485 150-536 (594)
366 UniRef100_UPI0020B1A888 interf 99.4 3.4E-16 6.3E-22 175.3 0.0 270 178-519 1520-1812(2503)
367 UniRef100_A0A6F9ASX7 VLIG-type 99.4 3.5E-16 6.4E-22 160.4 0.0 213 178-446 15-249 (566)
368 UniRef100_A0A6J8A8V5 VLIG-type 99.4 3.6E-16 6.7E-22 174.3 0.0 273 179-519 1091-1381(1837)
RHD3- 99.4 4E-16 7.8E-22 170.9 0.0 246 176-512 3-274 (972)
370 UniRef100_UPI000B45968E interf 99.4 4.6E-16 8.8E-22 173.2 0.0 275 177-519 562-854 (1566)
371 UniRef100_A0A7D9LN12 Interfero 99.4 4.8E-16 9.3E-22 172.2 0.0 263 179-518 148-436 (1144)
372 UniRef100_A0A6S7K882 Interfero 99.4 5.4E-16 1E-21 169.9 0.0 267 178-519 623-912 (1038)
RHD3- 99.4 5.5E-16 1E-21 165.5 0.0 250 177-512 72-347 (788)
374 UniRef100_A0A8K1D7Y2 VLIG-type 99.4 5.8E-16 1.1E-21 175.6 0.0 273 178-519 1341-1632(2335)
375 UniRef100_A0A7S1KRY3 Protein S 99.4 6.1E-16 1.1E-21 160.0 0.0 256 262-519 332-618 (621)
376 UniRef100_A0A8S2B1U6 Protein R 99.4 6.2E-16 1.1E-21 171.2 0.0 247 178-512 979-1250(1806)
377 UniRef100_A0A7R9GEP1 RRM domai 99.4 6.7E-16 1.2E-21 165.4 0.0 263 182-516 674-983 (994)
RHD3-type 99.4 6.8E-16 1.3E-21 146.2 0.0 157 179-395 12-179 (243)
379 UniRef100_A0A7J6AGD4 VLIG-type 99.4 7E-16 1.3E-21 167.8 0.0 270 178-519 461-749 (1276)
380 UniRef100_A0A814NPP0 SAM domai 99.4 6.5E-16 1.3E-21 176.7 0.0 261 177-517 611-887 (1573)
381 UniRef100_A0A7J6ADJ6 VLIG-type 99.4 7E-16 1.3E-21 156.2 0.0 258 190-519 2-273 (442)
382 UniRef100_A0A2P6U2Z5 SMG9-like 99.4 7.3E-16 1.3E-21 160.4 0.0 232 179-410 48-316 (670)
383 UniRef100_A0A1B8Y1P4 VLIG-type 99.4 7.6E-16 1.4E-21 173.6 0.0 273 178-519 1922-2213(2896)
384 UniRef100_A0A819D074 VLIG-type 99.4 7.3E-16 1.4E-21 175.0 0.0 261 178-517 900-1174(1614)
385 UniRef100_A9VCA1 G domain-cont 99.4 8.2E-16 1.5E-21 146.8 0.0 199 200-398 8-216 (282)
386 UniRef100_UPI0014256CD2 interf 99.4 8.6E-16 1.6E-21 174.5 0.0 272 178-519 1484-1774(2466)
387 UniRef100_A0A6J8F0I3 VLIG-type 99.4 8.9E-16 1.6E-21 171.7 0.0 272 179-519 1060-1350(2298)
388 UniRef100_A0A915N094 Uncharact 99.4 9E-16 1.7E-21 143.7 0.0 159 174-342 66-225 (241)
389 UniRef100_A0A7S4RX88 Protein S 99.4 9.1E-16 1.7E-21 157.6 0.0 282 179-519 219-557 (569)
390 UniRef100_A0A814EXZ9 VLIG-type 99.4 9.2E-16 1.8E-21 178.1 0.0 262 177-517 909-1185(2192)
391 UniRef100_A0A267FUT5 VLIG-type 99.4 9.8E-16 1.9E-21 153.2 0.0 238 213-519 1-249 (374)
392 UniRef100_UPI0019537BC9 interf 99.4 1E-15 2E-21 163.9 0.0 270 178-519 188-476 (851)
393 UniRef100_G1PZH3 VLIG-type G d 99.4 1.1E-15 2.2E-21 165.6 0.0 231 179-484 601-856 (879)
394 UniRef100_A0A507FHF8 IMS impor 99.4 1.2E-15 2.2E-21 160.2 0.0 263 167-435 210-592 (746)
395 UniRef100_A0A023AY55 Protein S 99.4 1.2E-15 2.3E-21 167.8 0.0 250 179-512 23-296 (833)
396 UniRef100_UPI001EAEBB58 interf 99.4 1.4E-15 2.5E-21 167.4 0.0 270 178-519 974-1262(1568)
397 UniRef100_A0A438IYJ5 Uncharact 99.4 1.4E-15 2.6E-21 136.5 0.0 127 373-519 12-143 (163)
398 UniRef100_UPI001E1DAC8E interf 99.4 1.6E-15 3.2E-21 176.3 0.0 275 178-519 1419-1714(2447)
399 UniRef100_A0A6P6AHC2 LOW QUALI 99.4 1.9E-15 3.4E-21 160.4 0.0 246 178-512 6-277 (849)
400 UniRef100_A0A4W6FDT7 VLIG-type 99.4 1.9E-15 3.5E-21 155.2 0.0 219 213-501 331-563 (564)
401 UniRef100_A0A4Z2EE49 Interfero 99.4 1.9E-15 3.6E-21 160.7 0.0 235 204-518 34-273 (685)
402 UniRef100_A0A6P6MHB4 Interfero 99.4 2E-15 3.7E-21 171.3 0.0 270 178-519 1104-1392(2074)
403 UniRef100_A0A0K6G809 Protein S 99.4 1.9E-15 3.7E-21 152.6 0.0 252 177-512 48-322 (368)
404 UniRef100_A0A183AXQ5 ABC trans 99.4 1.9E-15 3.8E-21 145.7 0.0 111 168-278 43-156 (235)
405 UniRef100_A0A8S3VIA2 VLIG-type 99.4 2.1E-15 3.9E-21 153.6 0.0 262 178-506 233-512 (512)
406 UniRef100_A0A7S0M048 Protein S 99.4 2.1E-15 3.9E-21 141.4 0.0 140 179-318 94-242 (242)
407 UniRef100_A0A2U1P5C0 Protein R 99.4 2.2E-15 4E-21 162.9 0.0 259 178-512 7-303 (1115)
408 UniRef100_UPI001B8004BC interf 99.4 2.2E-15 4E-21 168.1 0.0 273 178-519 1104-1395(2071)
409 UniRef100_UPI001953008B interf 99.4 2.2E-15 4.2E-21 169.7 0.0 267 178-517 515-806 (1747)
410 UniRef100_A0A3P9PUU4 VLIG-type 99.4 2.2E-15 4.2E-21 160.3 0.0 265 178-514 347-630 (728)
411 UniRef100_A0A061J3D3 Protein S 99.4 2E-15 4.3E-21 170.9 0.0 256 178-512 66-382 (932)
412 UniRef100_UPI002286CFA9 interf 99.4 2.7E-15 5E-21 166.2 0.0 271 178-517 785-1074(1759)
413 UniRef100_A0A669Q7M8 VLIG-type 99.4 2.7E-15 5.3E-21 157.6 0.0 236 178-482 288-544 (557)
414 UniRef100_A0A553R0N1 VLIG-type 99.4 3E-15 5.4E-21 167.9 0.0 268 178-519 1353-1644(2347)
415 UniRef100_A0A813WZ30 VLIG-type 99.3 3.2E-15 6.2E-21 164.8 0.0 262 177-518 164-440 (921)
416 UniRef100_A0A226EIS7 Protein S 99.3 3.3E-15 6.3E-21 155.3 0.0 271 178-520 232-513 (513)
417 UniRef100_UPI0021ACCA74 protei 99.3 3.5E-15 6.4E-21 142.9 0.0 168 177-392 39-227 (285)
RHD3- 99.3 3.5E-15 6.4E-21 163.8 0.0 171 176-394 235-426 (1449)
419 UniRef100_A0A132A2Q0 SMG9-like 99.3 3.8E-15 7.1E-21 145.7 0.0 132 202-341 73-225 (343)
420 UniRef100_UPI001B8004BC interf 99.3 3.9E-15 7.1E-21 166.2 0.0 273 178-519 146-437 (2071)
421 UniRef100_A0A5B7ELR4 Protein S 99.3 3.9E-15 7.2E-21 148.9 0.0 143 296-438 148-294 (423)
422 UniRef100_A0A0G4J7D5 Protein S 99.3 3.7E-15 7.5E-21 164.4 0.0 252 177-512 14-297 (817)
423 UniRef100_UPI0007AD7E7D interf 99.3 4.1E-15 7.7E-21 164.6 0.0 272 178-519 533-823 (1516)
424 UniRef100_A0A8X7XAC1 GVIN1 GTP 99.3 4E-15 7.9E-21 149.7 0.0 178 304-519 6-187 (354)
425 UniRef100_A0A8T3CX51 Uncharact 99.3 4.3E-15 8E-21 162.8 0.0 178 178-401 714-911 (1094)
426 UniRef100_A0A0L0SLZ2 Septin-ty 99.3 4.3E-15 8.2E-21 156.9 0.0 295 178-512 232-613 (616)
427 UniRef100_A0A815I0N6 VWFA doma 99.3 4.5E-15 9.1E-21 170.0 0.0 261 178-517 69-344 (1359)
428 UniRef100_A0A7S4NWB7 Protein S 99.3 5E-15 9.1E-21 138.5 0.0 159 180-339 53-218 (234)
429 UniRef100_UPI001175F315 interf 99.3 6.4E-15 1.2E-20 164.7 0.0 268 178-519 1134-1422(2113)
430 UniRef100_A0A821Y9P3 VLIG-type 99.3 6.5E-15 1.2E-20 148.2 0.0 260 178-516 112-402 (445)
431 UniRef100_A0A564Z860 Protein S 99.3 6.7E-15 1.2E-20 150.9 0.0 169 169-337 36-233 (543)
RHD3 99.3 5.8E-15 1.3E-20 163.2 0.0 250 177-506 12-277 (568)
433 UniRef100_UPI001069E1E2 interf 99.3 8E-15 1.5E-20 158.1 0.0 264 179-519 83-372 (848)
RHD3- 99.3 1.1E-14 1.9E-20 154.2 0.0 249 177-512 77-350 (787)
435 UniRef100_A0A8C4XAJ3 Up-regula 99.3 1.1E-14 2E-20 160.2 0.0 276 178-519 750-1046(1337)
436 UniRef100_A0A2G8LLX9 Putative 99.3 1.1E-14 2E-20 151.1 0.0 269 178-516 98-389 (615)
437 UniRef100_L1IE84 Protein SMG9 99.3 1.1E-14 2.1E-20 141.2 0.0 200 197-400 3-247 (313)
438 UniRef100_UPI0014038CC8 interf 99.3 1.1E-14 2.1E-20 151.6 0.0 262 179-517 247-529 (648)
439 UniRef100_A0A267GQX3 VLIG-type 99.3 1.1E-14 2.1E-20 147.8 0.0 271 178-519 31-324 (489)
440 UniRef100_UPI002278A69F interf 99.3 1.2E-14 2.1E-20 164.6 0.0 269 178-518 1873-2160(2875)
441 UniRef100_A0A1A6HIT4 VLIG-type 99.3 1.2E-14 2.2E-20 153.3 0.0 270 179-517 357-645 (760)
442 UniRef100_A0A6A3BID3 Protein R 99.3 1.5E-14 2.8E-20 156.0 0.0 150 175-372 282-449 (1030)
443 UniRef100_A0A816VPY8 VLIG-type 99.3 1.5E-14 2.9E-20 164.5 0.0 258 179-517 132-414 (1417)
RHD3- 99.3 1.7E-14 3.2E-20 158.3 0.0 152 179-374 34-204 (936)
445 UniRef100_A0A096M539 VLIG-type 99.3 1.8E-14 3.3E-20 155.8 0.0 259 178-508 603-880 (883)
446 UniRef100_A0A015KMF5 Protein S 99.3 1.7E-14 3.5E-20 158.7 0.0 255 176-512 89-364 (695)
447 UniRef100_L9KVC5 Interferon-in 99.3 1.9E-14 3.5E-20 159.4 0.0 268 178-517 787-1076(1513)
448 UniRef100_UPI0011E9F539 interf 99.3 1.9E-14 3.5E-20 158.6 0.0 270 178-519 967-1255(1497)
449 UniRef100_UPI001955B089 interf 99.3 2.1E-14 3.8E-20 162.7 0.0 270 178-519 1901-2189(2887)
450 UniRef100_UPI0020943C5E interf 99.3 2.1E-14 4E-20 161.2 0.0 276 178-519 1291-1585(1717)
451 UniRef100_A0A6V7WCM3 Uncharact 99.3 2.6E-14 4.8E-20 139.7 0.0 240 234-509 5-247 (333)
452 UniRef100_UPI000854FA9C interf 99.2 2.9E-14 5.4E-20 127.8 0.0 150 202-397 8-168 (169)
453 UniRef100_UPI0006D8DDA8 protei 99.2 3E-14 5.5E-20 123.5 0.0 108 92-208 17-127 (135)
454 UniRef100_A0A8H7ER04 Dynamin-l 99.2 2.7E-14 5.5E-20 154.1 0.0 252 179-512 31-302 (635)
RHD3- 99.2 3E-14 5.5E-20 153.3 0.0 247 178-512 6-279 (855)
456 UniRef100_A0A063C7H9 Protein S 99.2 2.7E-14 5.6E-20 159.3 0.0 254 177-512 61-355 (909)
457 UniRef100_A0A8T1U9D3 P-loop co 99.2 3.1E-14 5.8E-20 145.6 0.0 290 202-516 175-512 (518)
458 UniRef100_A0A7J8ERL7 VLIG-type 99.2 3.2E-14 6E-20 152.8 0.0 264 179-517 178-466 (813)
459 UniRef100_UPI0018646FA9 interf 99.2 3.3E-14 6.1E-20 159.4 0.0 268 178-517 1145-1431(2123)
460 UniRef100_A0A7S3V054 Protein S 99.2 3.7E-14 6.8E-20 142.9 0.0 184 177-373 96-317 (442)
461 UniRef100_E4XMX7 Uncharacteriz 99.2 3.7E-14 6.8E-20 127.9 0.0 149 300-478 26-174 (176)
462 UniRef100_A0A3N0Y531 PRKCA-bin 99.2 4E-14 7.3E-20 160.1 0.0 270 178-519 876-1164(2621)
463 UniRef100_A0A6G1S716 Protein s 99.2 4.2E-14 7.9E-20 140.9 0.0 161 172-341 63-238 (344)
464 UniRef100_A0A7J6DBL9 Uncharact 99.2 4.4E-14 8.1E-20 154.9 0.0 265 178-517 934-1217(1323)
465 UniRef100_A0A267H2T1 VLIG-type 99.2 4.5E-14 8.3E-20 157.0 0.0 275 177-519 680-974 (1725)
466 UniRef100_A0A669Q7M4 VLIG-type 99.2 4.6E-14 8.5E-20 150.6 0.0 251 178-519 592-861 (863)
467 UniRef100_A0A8J2RLF3 VLIG-type 99.2 4.4E-14 9.2E-20 166.8 0.0 280 178-517 770-1075(1792)
468 UniRef100_A0A6J8A109 VLIG-type 99.2 5.1E-14 9.7E-20 153.8 0.0 264 178-519 532-824 (896)
469 UniRef100_UPI000DED56A8 protei 99.2 5.3E-14 9.8E-20 148.7 0.0 250 177-512 69-344 (754)
Sey1 99.2 5.1E-14 1.1E-19 149.2 0.0 226 201-511 32-274 (472)
471 UniRef100_A0A182WM91 Chromatin 99.2 6E-14 1.1E-19 154.5 0.0 272 176-509 28-305 (1414)
472 UniRef100_UPI001E1C51EA up-reg 99.2 6.2E-14 1.1E-19 151.7 0.0 244 178-483 608-880 (1053)
473 UniRef100_A0A836XM84 Protein S 99.2 6.5E-14 1.2E-19 137.9 0.0 160 335-519 166-343 (351)
474 UniRef100_A0A150G0W0 Uncharact 99.2 6.1E-14 1.2E-19 153.8 0.0 228 169-400 199-515 (778)
475 UniRef100_A0A6P6WMS2 Protein R 99.2 6.5E-14 1.2E-19 144.0 0.0 249 177-512 7-276 (489)
RHD3- 99.2 6.4E-14 1.2E-19 150.1 0.0 249 177-512 24-298 (676)
477 UniRef100_J9EE56 von Willebran 99.2 6.4E-14 1.2E-19 165.2 0.0 261 177-518 1887-2163(3430)
478 UniRef100_E4XMX6 Nonsense-medi 99.2 7.6E-14 1.4E-19 129.5 0.0 112 175-288 82-196 (215)
479 UniRef100_UPI00143D9FAC LOW QU 99.2 7.7E-14 1.4E-19 156.1 0.0 270 178-519 1003-1291(1969)
480 UniRef100_UPI0020CAAEB9 interf 99.2 8.3E-14 1.5E-19 155.9 0.0 269 179-519 966-1253(1952)
481 UniRef100_A0A7J6DAQ4 Interfero 99.2 8.4E-14 1.6E-19 155.6 0.0 269 178-518 525-812 (1905)
482 UniRef100_UPI001CF9EA0C LOW QU 99.2 8.5E-14 1.6E-19 158.4 0.0 268 180-519 1463-1755(3071)
483 UniRef100_UPI001891BD17 interf 99.2 8.7E-14 1.6E-19 151.6 0.0 265 178-519 859-1147(1160)
484 UniRef100_A0A4W4G7Q8 Si:dkey-8 99.2 1E-13 1.9E-19 144.6 0.0 184 178-410 370-573 (629)
485 UniRef100_UPI001068DC74 interf 99.2 1E-13 1.9E-19 156.9 0.0 262 179-518 1573-1862(2574)
486 UniRef100_UPI00106B9B4F interf 99.2 1E-13 1.9E-19 159.4 0.0 266 179-518 1481-1770(2490)
487 UniRef100_UPI00106C4817 interf 99.2 1E-13 2E-19 154.5 0.0 254 179-511 994-1276(1281)
RHD3- 99.2 1.3E-13 2.4E-19 148.6 0.0 246 179-512 60-330 (887)
489 UniRef100_A0A9D4B4G1 Uncharact 99.2 1.4E-13 2.5E-19 109.3 0.0 73 1-75 1-77 (79)
RHD3- 99.2 1.3E-13 2.5E-19 133.5 0.0 157 175-375 43-221 (264)
491 UniRef100_A0A8X8BR76 GVIN1 GTP 99.2 1.4E-13 2.6E-19 149.4 0.0 273 178-519 206-502 (1087)
492 UniRef100_UPI0003AFD55D unchar 99.2 1.4E-13 2.7E-19 149.0 0.0 168 188-401 691-873 (917)
493 UniRef100_A0A3N0YX16 Interfero 99.2 1.5E-13 2.8E-19 157.3 0.0 268 178-517 2016-2302(3050)
494 UniRef100_UPI001E1D9C56 interf 99.2 1.7E-13 3.4E-19 158.4 0.0 264 178-519 568-856 (1545)
RHD3- 99.2 1.9E-13 3.5E-19 126.2 0.0 164 177-392 4-185 (195)
496 UniRef100_A0A8C2CZU5 VLIG-type 99.2 2E-13 3.7E-19 151.6 0.0 269 179-519 1126-1413(1600)
497 UniRef100_UPI001E1D61EE interf 99.2 1.8E-13 3.7E-19 159.8 0.0 268 178-519 599-896 (1538)
498 UniRef100_A0A267FEF4 VLIG-type 99.1 2.2E-13 4E-19 150.1 0.0 273 178-519 365-658 (1380)
499 UniRef100_A0A814SSK5 VLIG-type 99.1 2.1E-13 4E-19 154.3 0.0 261 178-517 621-904 (1555)
500 UniRef100_A0A2V3J1Y5 Protein S 99.1 2.1E-13 4.3E-19 147.0 0.0 175 180-394 17-233 (578)

flags
core.init.score_function_corrections: [ WARNING ] Flag -beta_nov16 is set but -weights are also specified. Not changing input weights file!
www.rosettacommons.org 2018-08-14T02:36:37.119534
-in::file::s input.pdb -parser::protocol B_relax_density.xml -ignore_unrecognized_res -edensity::mapreso 3.43 -edensity::cryoem_scatterers -crystal_refine -beta -out::suffix _relax -default_max_cycles 200
urandom', seed=133185423 seed_offset=0 real_seed=133185423
core.init.random: RandomGenerator:init: Normal mode, seed=133185423 RG_type=mt19937
protocols.jd2.PDBJobInputter: Instantiate PDBJobInputter
protocols.jd2.PDBJobInputter: PDBJobInputter::fill_jobs
protocols.jd2.PDBJobInputter: pushed input.pdb nstruct index 1
protocols.evaluation.ChiWellRmsdEvaluatorCreator: Evaluation Creator active ...
protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job
protocols.jd2.PDBJobInputter: filling pose from PDB input.pdb
core.chemical.GlobalResidueTypeSet: Finished initializing fa_standard residue type set. Created 617 residue types
core.chemical.GlobalResidueTypeSet: Total time to initialize 1.24 seconds.
core.import_pose.import_pose: File 'input.pdb' automatically determined to be of type PDB
protocols.rosetta_scripts.RosettaScriptsParser: dock_design_filename=B_relax_density.xml
protocols.rosetta_scripts.RosettaScriptsParser: Generating XML Schema for rosetta_scripts...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Initializing schema validator...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Validating input script...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Parsed script:
<ROSETTASCRIPTS>
<SCOREFXNS>
<ScoreFunction name="dens" weights="beta_cart">
>
>
ScoreFunction>
SCOREFXNS>
<MOVERS>
>
>
>
MOVERS>
<PROTOCOLS>
>
>
>
PROTOCOLS>
>
ROSETTASCRIPTS>
core.scoring.ScoreFunctionFactory: SCOREFUNCTION: beta_genpot.wts
core.scoring.etable: Starting energy table calculation
rep split to bottom of energy well
core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6)
core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6)
core.scoring.etable: Finished calculating energy tables.
HBPoly1D.csv
HBFadeIntervals.csv
HBEval.csv
DonStrength.csv
AccStrength.csv
all.ramaProb
prepro.ramaProb
omega_ppdep.all.txt
omega_ppdep.gly.txt
omega_ppdep.pro.txt
omega_ppdep.valile.txt
P_AA
P_AA_n
core.scoring.P_AA: shapovalov_lib::shap_p_aa_pp_smooth_level of 1( aka low_smooth ) got activated.
a20.prop
hydroxyl_torsion_preference.txt
generic_bonded.round6p.txt
core.scoring.GenericBondedPotential: Added total 0 bond parameters corresponding to 0 unique bonds.
core.scoring.GenericBondedPotential: Added total 0 angle parameters corresponding to 0 unique angles.
core.scoring.GenericBondedPotential: Added total 228 torsion parameters corresponding to 131380 unique torsions.
core.scoring.GenericBondedPotential: Added total 49 improper parameters corresponding to 65 unique impropers.
core.scoring.GenericBondedPotential: Added total 3 special-torsion parameters corresponding to 4 unique torsions.
core.scoring.etable: Starting energy table calculation
rep split to bottom of energy well
core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6)
core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6)
core.scoring.etable: Finished calculating energy tables.
pdb_pair_stats_fine
interchain_env_log.txt
interchain_pair_log.txt
env_log.txt
cbeta_den.txt
pair_log.txt
cenpack_log.txt
core.scoring.ramachandran: shapovalov_lib::shap_rama_smooth_level of 4( aka highest_smooth ) got activated.
all.ramaProb
core.scoring.CartesianBondedEnergy: Initializing IdealParametersDatabase with default Ks=300 , 80 , 20 , 10 , 40
default-lengths.txt
core.scoring.CartesianBondedEnergy: Read 757 bb-independent lengths.
default-angles.txt
core.scoring.CartesianBondedEnergy: Read 1456 bb-independent angles.
default-torsions.txt
core.scoring.CartesianBondedEnergy: Read 1 bb-independent torsions.
default-improper.txt
core.scoring.CartesianBondedEnergy: Read 2197 bb-independent improper tors.
protocols.jd2.parser.ScoreFunctionLoader: defined score function "dens" with weights "beta_cart"
protocols.jd2.parser.ScoreFunctionLoader: setting dens weight elec_dens_fast to 35
protocols.jd2.parser.ScoreFunctionLoader: User defined per-residue sidechain density reweighing:
protocols.jd2.parser.ScoreFunctionLoader: ALA 0.88
protocols.jd2.parser.ScoreFunctionLoader: CYS 0.81
protocols.jd2.parser.ScoreFunctionLoader: ASP 0.76
protocols.jd2.parser.ScoreFunctionLoader: GLU 0.76
protocols.jd2.parser.ScoreFunctionLoader: PHE 0.88
protocols.jd2.parser.ScoreFunctionLoader: GLY 1
protocols.jd2.parser.ScoreFunctionLoader: HIS 0.81
protocols.jd2.parser.ScoreFunctionLoader: ILE 0.88
protocols.jd2.parser.ScoreFunctionLoader: LYS 0.76
protocols.jd2.parser.ScoreFunctionLoader: LEU 0.88
protocols.jd2.parser.ScoreFunctionLoader: MET 0.76
protocols.jd2.parser.ScoreFunctionLoader: ASN 0.81
protocols.jd2.parser.ScoreFunctionLoader: PRO 0.88
protocols.jd2.parser.ScoreFunctionLoader: GLN 0.81
protocols.jd2.parser.ScoreFunctionLoader: ARG 0.76
protocols.jd2.parser.ScoreFunctionLoader: SER 0.81
protocols.jd2.parser.ScoreFunctionLoader: THR 0.81
protocols.jd2.parser.ScoreFunctionLoader: VAL 0.88
protocols.jd2.parser.ScoreFunctionLoader: TRP 0.88
protocols.jd2.parser.ScoreFunctionLoader: TYR 0.88
protocols.electron_density.util: Parsing SetupForDensityScoringMover----
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "setupdens" of type SetupForDensityScoring
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "loaddens" of type LoadDensityMap
default.txt ==================
protocols.relax.FastRelax: repeat 5
protocols.relax.FastRelax: ramp_repack_min 0.02 0.01 1.0
protocols.relax.FastRelax: ramp_repack_min 0.250 0.01 0.5
protocols.relax.FastRelax: ramp_repack_min 0.550 0.01 0.0
protocols.relax.FastRelax: ramp_repack_min 1 0.00001 0.0
protocols.relax.FastRelax: accept_to_best
protocols.relax.FastRelax: endrepeat
default.txt ==================
protocols.relax.FastRelax: repeat 2
protocols.relax.FastRelax: ramp_repack_min 0.02 0.01 1.0
protocols.relax.FastRelax: ramp_repack_min 0.250 0.01 0.5
protocols.relax.FastRelax: ramp_repack_min 0.550 0.01 0.0
protocols.relax.FastRelax: ramp_repack_min 1 0.00001 0.0
protocols.relax.FastRelax: accept_to_best
protocols.relax.FastRelax: endrepeat
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "relaxcart" of type FastRelax
protocols.rosetta_scripts.ParsedProtocol: ParsedProtocol mover with the following movers and filters
protocols.rosetta_scripts.ParsedProtocol: added mover "setupdens" with filter "true_filter"
protocols.rosetta_scripts.ParsedProtocol: added mover "loaddens" with filter "true_filter"
protocols.rosetta_scripts.ParsedProtocol: added mover "relaxcart" with filter "true_filter"
protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job
protocols.jd2.PDBJobInputter: filling pose from saved copy input.pdb
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER SetupForDensityScoring - setupdens=======================
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: [ WARNING ] No density map specified
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: [ WARNING ] No density map specified
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER LoadDensityMap - loaddens=======================
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: Loading density mapMAP.mrc
core.scoring.electron_density.ElectronDensity: Setting resolution to 3.43A
core.scoring.electron_density.ElectronDensity: atom mask to 3.2A
core.scoring.electron_density.ElectronDensity: CA mask to 6A
core.scoring.electron_density.ElectronDensity: Read density map'MAP.mrc'
core.scoring.electron_density.ElectronDensity: extent: 332 x 332 x 332
core.scoring.electron_density.ElectronDensity: origin: 0 x 0 x 0
core.scoring.electron_density.ElectronDensity: altorigin: 0 x 0 x 0
core.scoring.electron_density.ElectronDensity: grid: 332 x 332 x 332
core.scoring.electron_density.ElectronDensity: celldim: 332 x 332 x 332
core.scoring.electron_density.ElectronDensity: cellangles: 90 x 90 x 90
core.scoring.electron_density.ElectronDensity: voxel vol.: 1
core.scoring.electron_density.ElectronDensity: Effective resolution = 3.43
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER FastRelax - relaxcart=======================
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (521)
core.scoring.GenericBondedEnergy: Creating new peptide-bonded energy container (521)
elec_cp_reps.dat
core.scoring.elec.util: Read 40 countpair representative atoms
core.scoring.electron_density.ElectronDensity: Setting [kmin_,kmax_] to [0.062821,1.90674]
18.845 sum=(0,0)
core.pack.dunbrack.RotamerLibrary: shapovalov_lib_fixes_enable option is true.
Dunbrack10.lib.bin
Dunbrack10.lib.bin'.
core.pack.dunbrack.RotamerLibrary: Dunbrack 2010 library took 0.3 seconds to load from binary
core.scoring.CartesianBondedEnergy: Adding undefined angle VRT: X,ORIG,Y to DB with theta0 = 1.5708 , Ktheta = 80
core.scoring.CartesianBondedEnergy: Adding undefined length VRT: ORIG,X, to DB with d0 = 1 , Kd = 300
core.scoring.CartesianBondedEnergy: Adding undefined length VRT: ORIG,Y, to DB with d0 = 1 , Kd = 300
protocols.relax.FastRelax: CMD: repeat 9765.57 0 0 0.55
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 9648 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 23306328 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -4241.47 1.04329 1.04329 0.011
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 8850 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 19732984 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -4443.3 1.41695 1.41695 0.1375
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 8581 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 18010988 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -4469.05 1.78219 1.78219 0.3025
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 8422 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 17417140 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -4457.28 1.98571 1.98571 0.55
protocols.relax.FastRelax: MRP: 0 -4457.28 -4457.28 1.98571 1.98571
protocols.relax.FastRelax: CMD: accept_to_best -4457.28 1.98571 1.98571 0.55
protocols.relax.FastRelax: CMD: endrepeat -4457.28 1.98571 1.98571 0.55
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 9981 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 24700836 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -5132.22 2.22692 2.22692 0.011
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 8700 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 19481840 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -4895.13 2.32706 2.32706 0.1375
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 8515 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 18289880 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -4778.21 2.52922 2.52922 0.3025
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 8233 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 17203668 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -4656.01 2.62664 2.62664 0.55
protocols.relax.FastRelax: MRP: 1 -4656.01 -4656.01 2.62664 2.62664
protocols.relax.FastRelax: CMD: accept_to_best -4656.01 2.62664 2.62664 0.55
protocols.relax.FastRelax: CMD: endrepeat -4656.01 2.62664 2.62664 0.55
protocols::checkpoint: Deleting checkpoints of FastRelax
protocols.rosetta_scripts.ParsedProtocol: setting status to success
protocols.jd2.JobDistributor: input_relax_0001 reported success in 722 seconds
protocols.jd2.JobDistributor: no more batches to process...
protocols.jd2.JobDistributor: 1 jobs considered, 1 jobs attempted in 723 seconds

Align structures finished.
====================================================================Modeling finished====================================================================
Selected strategy mode: strategy 1
Input query sequence: MSESGHSQPGLYGIERRRRWKEPGSGGPQNLSGPGGRERDYIAPWERERRDASEETSTSVMQKTPIILSKPPAERSKQPPPPTAPAAPPAPAPLEKPIVLMKPREEGKGPVAVTGASTPEGTAPPPPAAPAPPKGEKEGQRPTQPVYQIQNRGMGTAAPAAMDPVVGQAKLLPPERMKHSIKLVDDQMNWCDSAIEYLLDQTDVLVVGVLGLQGTGKSMVMSLLSANTPEEDQRTYVFRAQSAEMKERGGNQTSGIDFFITQERIVFLDTQPILSPSILDHLINNDRKLPPEYNLPHTYVEMQSLQIAAFLFTVCHVVIVVQDWFTDLSLYRFLQTAEMVKPSTPSPSHESSSSSGSDEGTEYYPHLVFLQNKARREDFCPRKLRQMHLMIDQLMAHSHLRYKGTLSMLQCNVFPGLPPDFLDSEVNLFLVPFMDSEAESENPPRAGPGSSPLFSLLPGYRGHPSFQSLVSKLRSQVMSMARPQLSHTILTEKNWFHYAARIWDGVRKSSALAEYSRLLA
Job ID: e0e7fb1328087680d8822673aae46917_e5e76
Number of models to use: 0
Template mode: custom
DAQ
====================================================================Modeling finished====================================================================
INFO: STEP-2: Running Vanilla AF2
(prefix: 'str', result_dir: 'Path', feature_dict: 'Dict[str, Any]', is_complex: 'bool', use_templates: 'bool', sequences_lengths: 'List[int]', pad_len: 'int', model_type: 'str', model_runner_and_params: 'List[Tuple[str, model.RunModel, haiku.Params]]', num_relax: 'int' = 0, rank_by: 'str' = 'auto', random_seed: 'int' = 0, num_seeds: 'int' = 1, stop_at_score: 'float' = 100, prediction_callback: 'Callable[[Any, Any, Any, Any, Any], Any]' = None, use_gpu_relax: 'bool' = False, save_all: 'bool' = False, save_single_representations: 'bool' = False, save_pair_representations: 'bool' = False, save_recycles: 'bool' = False)
INFO: Input Protein Sequence and DAQ result file started
chain_C
Prepare trimmed template finished.
MSA finished.(if applicable)
INFO: Input Protein Sequence and DAQ result file Done
INFO: Modeling Part started
chain_C
MSA settings finished.
Advanced settings finished.
DAQ-Refine
Install dependencies finished.
GPU is not available.
chain_C
start running download_alphafold
local msa started
Prediction finished.
INFO: Modeling Part Done
chain_C
chain_C
align structure to input map
rank_001_alphafold2_ptm_model_1_seed_000_af2
flags
core.init.score_function_corrections: [ WARNING ] Flag -beta_nov16 is set but -weights are also specified. Not changing input weights file!
www.rosettacommons.org 2018-08-14T02:36:37.119534
-in::file::s input.pdb -parser::protocol B_relax_density.xml -ignore_unrecognized_res -edensity::mapreso 3.43 -edensity::cryoem_scatterers -crystal_refine -beta -out::suffix _relax -default_max_cycles 200
urandom', seed=293124712 seed_offset=0 real_seed=293124712
core.init.random: RandomGenerator:init: Normal mode, seed=293124712 RG_type=mt19937
protocols.jd2.PDBJobInputter: Instantiate PDBJobInputter
protocols.jd2.PDBJobInputter: PDBJobInputter::fill_jobs
protocols.jd2.PDBJobInputter: pushed input.pdb nstruct index 1
protocols.evaluation.ChiWellRmsdEvaluatorCreator: Evaluation Creator active ...
protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job
protocols.jd2.PDBJobInputter: filling pose from PDB input.pdb
core.chemical.GlobalResidueTypeSet: Finished initializing fa_standard residue type set. Created 617 residue types
core.chemical.GlobalResidueTypeSet: Total time to initialize 1.43 seconds.
core.import_pose.import_pose: File 'input.pdb' automatically determined to be of type PDB
protocols.rosetta_scripts.RosettaScriptsParser: dock_design_filename=B_relax_density.xml
protocols.rosetta_scripts.RosettaScriptsParser: Generating XML Schema for rosetta_scripts...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Initializing schema validator...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Validating input script...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Parsed script:
<ROSETTASCRIPTS>
<SCOREFXNS>
<ScoreFunction name="dens" weights="beta_cart">
>
>
ScoreFunction>
SCOREFXNS>
<MOVERS>
>
>
>
MOVERS>
<PROTOCOLS>
>
>
>
PROTOCOLS>
>
ROSETTASCRIPTS>
core.scoring.ScoreFunctionFactory: SCOREFUNCTION: beta_genpot.wts
core.scoring.etable: Starting energy table calculation
rep split to bottom of energy well
core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6)
core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6)
core.scoring.etable: Finished calculating energy tables.
HBPoly1D.csv
HBFadeIntervals.csv
HBEval.csv
DonStrength.csv
AccStrength.csv
all.ramaProb
prepro.ramaProb
omega_ppdep.all.txt
omega_ppdep.gly.txt
omega_ppdep.pro.txt
omega_ppdep.valile.txt
P_AA
P_AA_n
core.scoring.P_AA: shapovalov_lib::shap_p_aa_pp_smooth_level of 1( aka low_smooth ) got activated.
a20.prop
hydroxyl_torsion_preference.txt
generic_bonded.round6p.txt
core.scoring.GenericBondedPotential: Added total 0 bond parameters corresponding to 0 unique bonds.
core.scoring.GenericBondedPotential: Added total 0 angle parameters corresponding to 0 unique angles.
core.scoring.GenericBondedPotential: Added total 228 torsion parameters corresponding to 131380 unique torsions.
core.scoring.GenericBondedPotential: Added total 49 improper parameters corresponding to 65 unique impropers.
core.scoring.GenericBondedPotential: Added total 3 special-torsion parameters corresponding to 4 unique torsions.
core.scoring.etable: Starting energy table calculation
rep split to bottom of energy well
core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6)
core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6)
core.scoring.etable: Finished calculating energy tables.
pdb_pair_stats_fine
interchain_env_log.txt
interchain_pair_log.txt
env_log.txt
cbeta_den.txt
pair_log.txt
cenpack_log.txt
core.scoring.ramachandran: shapovalov_lib::shap_rama_smooth_level of 4( aka highest_smooth ) got activated.
all.ramaProb
core.scoring.CartesianBondedEnergy: Initializing IdealParametersDatabase with default Ks=300 , 80 , 20 , 10 , 40
default-lengths.txt
core.scoring.CartesianBondedEnergy: Read 757 bb-independent lengths.
default-angles.txt
core.scoring.CartesianBondedEnergy: Read 1456 bb-independent angles.
default-torsions.txt
core.scoring.CartesianBondedEnergy: Read 1 bb-independent torsions.
default-improper.txt
core.scoring.CartesianBondedEnergy: Read 2197 bb-independent improper tors.
protocols.jd2.parser.ScoreFunctionLoader: defined score function "dens" with weights "beta_cart"
protocols.jd2.parser.ScoreFunctionLoader: setting dens weight elec_dens_fast to 35
protocols.jd2.parser.ScoreFunctionLoader: User defined per-residue sidechain density reweighing:
protocols.jd2.parser.ScoreFunctionLoader: ALA 0.88
protocols.jd2.parser.ScoreFunctionLoader: CYS 0.81
protocols.jd2.parser.ScoreFunctionLoader: ASP 0.76
protocols.jd2.parser.ScoreFunctionLoader: GLU 0.76
protocols.jd2.parser.ScoreFunctionLoader: PHE 0.88
protocols.jd2.parser.ScoreFunctionLoader: GLY 1
protocols.jd2.parser.ScoreFunctionLoader: HIS 0.81
protocols.jd2.parser.ScoreFunctionLoader: ILE 0.88
protocols.jd2.parser.ScoreFunctionLoader: LYS 0.76
protocols.jd2.parser.ScoreFunctionLoader: LEU 0.88
protocols.jd2.parser.ScoreFunctionLoader: MET 0.76
protocols.jd2.parser.ScoreFunctionLoader: ASN 0.81
protocols.jd2.parser.ScoreFunctionLoader: PRO 0.88
protocols.jd2.parser.ScoreFunctionLoader: GLN 0.81
protocols.jd2.parser.ScoreFunctionLoader: ARG 0.76
protocols.jd2.parser.ScoreFunctionLoader: SER 0.81
protocols.jd2.parser.ScoreFunctionLoader: THR 0.81
protocols.jd2.parser.ScoreFunctionLoader: VAL 0.88
protocols.jd2.parser.ScoreFunctionLoader: TRP 0.88
protocols.jd2.parser.ScoreFunctionLoader: TYR 0.88
protocols.electron_density.util: Parsing SetupForDensityScoringMover----
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "setupdens" of type SetupForDensityScoring
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "loaddens" of type LoadDensityMap
default.txt ==================
protocols.relax.FastRelax: repeat 5
protocols.relax.FastRelax: ramp_repack_min 0.02 0.01 1.0
protocols.relax.FastRelax: ramp_repack_min 0.250 0.01 0.5
protocols.relax.FastRelax: ramp_repack_min 0.550 0.01 0.0
protocols.relax.FastRelax: ramp_repack_min 1 0.00001 0.0
protocols.relax.FastRelax: accept_to_best
protocols.relax.FastRelax: endrepeat
default.txt ==================
protocols.relax.FastRelax: repeat 2
protocols.relax.FastRelax: ramp_repack_min 0.02 0.01 1.0
protocols.relax.FastRelax: ramp_repack_min 0.250 0.01 0.5
protocols.relax.FastRelax: ramp_repack_min 0.550 0.01 0.0
protocols.relax.FastRelax: ramp_repack_min 1 0.00001 0.0
protocols.relax.FastRelax: accept_to_best
protocols.relax.FastRelax: endrepeat
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "relaxcart" of type FastRelax
protocols.rosetta_scripts.ParsedProtocol: ParsedProtocol mover with the following movers and filters
protocols.rosetta_scripts.ParsedProtocol: added mover "setupdens" with filter "true_filter"
protocols.rosetta_scripts.ParsedProtocol: added mover "loaddens" with filter "true_filter"
protocols.rosetta_scripts.ParsedProtocol: added mover "relaxcart" with filter "true_filter"
protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job
protocols.jd2.PDBJobInputter: filling pose from saved copy input.pdb
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER SetupForDensityScoring - setupdens=======================
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: [ WARNING ] No density map specified
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: [ WARNING ] No density map specified
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER LoadDensityMap - loaddens=======================
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: Loading density mapMAP.mrc
core.scoring.electron_density.ElectronDensity: Setting resolution to 3.43A
core.scoring.electron_density.ElectronDensity: atom mask to 3.2A
core.scoring.electron_density.ElectronDensity: CA mask to 6A
core.scoring.electron_density.ElectronDensity: Read density map'MAP.mrc'
core.scoring.electron_density.ElectronDensity: extent: 332 x 332 x 332
core.scoring.electron_density.ElectronDensity: origin: 0 x 0 x 0
core.scoring.electron_density.ElectronDensity: altorigin: 0 x 0 x 0
core.scoring.electron_density.ElectronDensity: grid: 332 x 332 x 332
core.scoring.electron_density.ElectronDensity: celldim: 332 x 332 x 332
core.scoring.electron_density.ElectronDensity: cellangles: 90 x 90 x 90
core.scoring.electron_density.ElectronDensity: voxel vol.: 1
core.scoring.electron_density.ElectronDensity: Effective resolution = 3.43
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER FastRelax - relaxcart=======================
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (521)
core.scoring.GenericBondedEnergy: Creating new peptide-bonded energy container (521)
elec_cp_reps.dat
core.scoring.elec.util: Read 40 countpair representative atoms
core.scoring.electron_density.ElectronDensity: Setting [kmin_,kmax_] to [0.062821,1.90674]
18.845 sum=(0,0)
core.pack.dunbrack.RotamerLibrary: shapovalov_lib_fixes_enable option is true.
Dunbrack10.lib.bin
Dunbrack10.lib.bin'.
core.pack.dunbrack.RotamerLibrary: Dunbrack 2010 library took 0.24 seconds to load from binary
core.scoring.CartesianBondedEnergy: Adding undefined angle VRT: X,ORIG,Y to DB with theta0 = 1.5708 , Ktheta = 80
core.scoring.CartesianBondedEnergy: Adding undefined length VRT: ORIG,X, to DB with d0 = 1 , Kd = 300
core.scoring.CartesianBondedEnergy: Adding undefined length VRT: ORIG,Y, to DB with d0 = 1 , Kd = 300
protocols.relax.FastRelax: CMD: repeat 11465.4 0 0 0.55
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 9602 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 22887944 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -4536.07 1.0416 1.0416 0.011
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 8876 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 19883132 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -4714.74 1.393 1.393 0.1375
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 8628 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 18396372 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -4746.09 1.67565 1.67565 0.3025
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 8398 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 17290036 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -4682.74 1.87649 1.87649 0.55
protocols.relax.FastRelax: MRP: 0 -4682.74 -4682.74 1.87649 1.87649
protocols.relax.FastRelax: CMD: accept_to_best -4682.74 1.87649 1.87649 0.55
protocols.relax.FastRelax: CMD: endrepeat -4682.74 1.87649 1.87649 0.55
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 9904 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 24380368 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -5355.6 2.06481 2.06481 0.011
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 8821 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 19743736 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -5102.25 2.13716 2.13716 0.1375
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 8622 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 18443548 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -4998.8 2.33238 2.33238 0.3025
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 8447 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 17508368 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -4898.48 2.50192 2.50192 0.55
protocols.relax.FastRelax: MRP: 1 -4898.48 -4898.48 2.50192 2.50192
protocols.relax.FastRelax: CMD: accept_to_best -4898.48 2.50192 2.50192 0.55
protocols.relax.FastRelax: CMD: endrepeat -4898.48 2.50192 2.50192 0.55
protocols::checkpoint: Deleting checkpoints of FastRelax
protocols.rosetta_scripts.ParsedProtocol: setting status to success
protocols.jd2.JobDistributor: input_relax_0001 reported success in 709 seconds
protocols.jd2.JobDistributor: no more batches to process...
protocols.jd2.JobDistributor: 1 jobs considered, 1 jobs attempted in 710 seconds

chain_C
align structure to input map
rank_002_alphafold2_ptm_model_2_seed_000_af2
flags
core.init.score_function_corrections: [ WARNING ] Flag -beta_nov16 is set but -weights are also specified. Not changing input weights file!
www.rosettacommons.org 2018-08-14T02:36:37.119534
-in::file::s input.pdb -parser::protocol B_relax_density.xml -ignore_unrecognized_res -edensity::mapreso 3.43 -edensity::cryoem_scatterers -crystal_refine -beta -out::suffix _relax -default_max_cycles 200
urandom', seed=428522822 seed_offset=0 real_seed=428522822
core.init.random: RandomGenerator:init: Normal mode, seed=428522822 RG_type=mt19937
protocols.jd2.PDBJobInputter: Instantiate PDBJobInputter
protocols.jd2.PDBJobInputter: PDBJobInputter::fill_jobs
protocols.jd2.PDBJobInputter: pushed input.pdb nstruct index 1
protocols.evaluation.ChiWellRmsdEvaluatorCreator: Evaluation Creator active ...
protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job
protocols.jd2.PDBJobInputter: filling pose from PDB input.pdb
core.chemical.GlobalResidueTypeSet: Finished initializing fa_standard residue type set. Created 617 residue types
core.chemical.GlobalResidueTypeSet: Total time to initialize 1.29 seconds.
core.import_pose.import_pose: File 'input.pdb' automatically determined to be of type PDB
protocols.rosetta_scripts.RosettaScriptsParser: dock_design_filename=B_relax_density.xml
protocols.rosetta_scripts.RosettaScriptsParser: Generating XML Schema for rosetta_scripts...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Initializing schema validator...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Validating input script...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Parsed script:
<ROSETTASCRIPTS>
<SCOREFXNS>
<ScoreFunction name="dens" weights="beta_cart">
>
>
ScoreFunction>
SCOREFXNS>
<MOVERS>
>
>
>
MOVERS>
<PROTOCOLS>
>
>
>
PROTOCOLS>
>
ROSETTASCRIPTS>
core.scoring.ScoreFunctionFactory: SCOREFUNCTION: beta_genpot.wts
core.scoring.etable: Starting energy table calculation
rep split to bottom of energy well
core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6)
core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6)
core.scoring.etable: Finished calculating energy tables.
HBPoly1D.csv
HBFadeIntervals.csv
HBEval.csv
DonStrength.csv
AccStrength.csv
all.ramaProb
prepro.ramaProb
omega_ppdep.all.txt
omega_ppdep.gly.txt
omega_ppdep.pro.txt
omega_ppdep.valile.txt
P_AA
P_AA_n
core.scoring.P_AA: shapovalov_lib::shap_p_aa_pp_smooth_level of 1( aka low_smooth ) got activated.
a20.prop
hydroxyl_torsion_preference.txt
generic_bonded.round6p.txt
core.scoring.GenericBondedPotential: Added total 0 bond parameters corresponding to 0 unique bonds.
core.scoring.GenericBondedPotential: Added total 0 angle parameters corresponding to 0 unique angles.
core.scoring.GenericBondedPotential: Added total 228 torsion parameters corresponding to 131380 unique torsions.
core.scoring.GenericBondedPotential: Added total 49 improper parameters corresponding to 65 unique impropers.
core.scoring.GenericBondedPotential: Added total 3 special-torsion parameters corresponding to 4 unique torsions.
core.scoring.etable: Starting energy table calculation
rep split to bottom of energy well
core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6)
core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6)
core.scoring.etable: Finished calculating energy tables.
pdb_pair_stats_fine
interchain_env_log.txt
interchain_pair_log.txt
env_log.txt
cbeta_den.txt
pair_log.txt
cenpack_log.txt
core.scoring.ramachandran: shapovalov_lib::shap_rama_smooth_level of 4( aka highest_smooth ) got activated.
all.ramaProb
core.scoring.CartesianBondedEnergy: Initializing IdealParametersDatabase with default Ks=300 , 80 , 20 , 10 , 40
default-lengths.txt
core.scoring.CartesianBondedEnergy: Read 757 bb-independent lengths.
default-angles.txt
core.scoring.CartesianBondedEnergy: Read 1456 bb-independent angles.
default-torsions.txt
core.scoring.CartesianBondedEnergy: Read 1 bb-independent torsions.
default-improper.txt
core.scoring.CartesianBondedEnergy: Read 2197 bb-independent improper tors.
protocols.jd2.parser.ScoreFunctionLoader: defined score function "dens" with weights "beta_cart"
protocols.jd2.parser.ScoreFunctionLoader: setting dens weight elec_dens_fast to 35
protocols.jd2.parser.ScoreFunctionLoader: User defined per-residue sidechain density reweighing:
protocols.jd2.parser.ScoreFunctionLoader: ALA 0.88
protocols.jd2.parser.ScoreFunctionLoader: CYS 0.81
protocols.jd2.parser.ScoreFunctionLoader: ASP 0.76
protocols.jd2.parser.ScoreFunctionLoader: GLU 0.76
protocols.jd2.parser.ScoreFunctionLoader: PHE 0.88
protocols.jd2.parser.ScoreFunctionLoader: GLY 1
protocols.jd2.parser.ScoreFunctionLoader: HIS 0.81
protocols.jd2.parser.ScoreFunctionLoader: ILE 0.88
protocols.jd2.parser.ScoreFunctionLoader: LYS 0.76
protocols.jd2.parser.ScoreFunctionLoader: LEU 0.88
protocols.jd2.parser.ScoreFunctionLoader: MET 0.76
protocols.jd2.parser.ScoreFunctionLoader: ASN 0.81
protocols.jd2.parser.ScoreFunctionLoader: PRO 0.88
protocols.jd2.parser.ScoreFunctionLoader: GLN 0.81
protocols.jd2.parser.ScoreFunctionLoader: ARG 0.76
protocols.jd2.parser.ScoreFunctionLoader: SER 0.81
protocols.jd2.parser.ScoreFunctionLoader: THR 0.81
protocols.jd2.parser.ScoreFunctionLoader: VAL 0.88
protocols.jd2.parser.ScoreFunctionLoader: TRP 0.88
protocols.jd2.parser.ScoreFunctionLoader: TYR 0.88
protocols.electron_density.util: Parsing SetupForDensityScoringMover----
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "setupdens" of type SetupForDensityScoring
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "loaddens" of type LoadDensityMap
default.txt ==================
protocols.relax.FastRelax: repeat 5
protocols.relax.FastRelax: ramp_repack_min 0.02 0.01 1.0
protocols.relax.FastRelax: ramp_repack_min 0.250 0.01 0.5
protocols.relax.FastRelax: ramp_repack_min 0.550 0.01 0.0
protocols.relax.FastRelax: ramp_repack_min 1 0.00001 0.0
protocols.relax.FastRelax: accept_to_best
protocols.relax.FastRelax: endrepeat
default.txt ==================
protocols.relax.FastRelax: repeat 2
protocols.relax.FastRelax: ramp_repack_min 0.02 0.01 1.0
protocols.relax.FastRelax: ramp_repack_min 0.250 0.01 0.5
protocols.relax.FastRelax: ramp_repack_min 0.550 0.01 0.0
protocols.relax.FastRelax: ramp_repack_min 1 0.00001 0.0
protocols.relax.FastRelax: accept_to_best
protocols.relax.FastRelax: endrepeat
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "relaxcart" of type FastRelax
protocols.rosetta_scripts.ParsedProtocol: ParsedProtocol mover with the following movers and filters
protocols.rosetta_scripts.ParsedProtocol: added mover "setupdens" with filter "true_filter"
protocols.rosetta_scripts.ParsedProtocol: added mover "loaddens" with filter "true_filter"
protocols.rosetta_scripts.ParsedProtocol: added mover "relaxcart" with filter "true_filter"
protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job
protocols.jd2.PDBJobInputter: filling pose from saved copy input.pdb
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER SetupForDensityScoring - setupdens=======================
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: [ WARNING ] No density map specified
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: [ WARNING ] No density map specified
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER LoadDensityMap - loaddens=======================
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: Loading density mapMAP.mrc
core.scoring.electron_density.ElectronDensity: Setting resolution to 3.43A
core.scoring.electron_density.ElectronDensity: atom mask to 3.2A
core.scoring.electron_density.ElectronDensity: CA mask to 6A
core.scoring.electron_density.ElectronDensity: Read density map'MAP.mrc'
core.scoring.electron_density.ElectronDensity: extent: 332 x 332 x 332
core.scoring.electron_density.ElectronDensity: origin: 0 x 0 x 0
core.scoring.electron_density.ElectronDensity: altorigin: 0 x 0 x 0
core.scoring.electron_density.ElectronDensity: grid: 332 x 332 x 332
core.scoring.electron_density.ElectronDensity: celldim: 332 x 332 x 332
core.scoring.electron_density.ElectronDensity: cellangles: 90 x 90 x 90
core.scoring.electron_density.ElectronDensity: voxel vol.: 1
core.scoring.electron_density.ElectronDensity: Effective resolution = 3.43
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER FastRelax - relaxcart=======================
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (521)
core.scoring.GenericBondedEnergy: Creating new peptide-bonded energy container (521)
elec_cp_reps.dat
core.scoring.elec.util: Read 40 countpair representative atoms
core.scoring.electron_density.ElectronDensity: Setting [kmin_,kmax_] to [0.062821,1.90674]
18.845 sum=(0,0)
core.pack.dunbrack.RotamerLibrary: shapovalov_lib_fixes_enable option is true.
Dunbrack10.lib.bin
Dunbrack10.lib.bin'.
core.pack.dunbrack.RotamerLibrary: Dunbrack 2010 library took 0.27 seconds to load from binary
core.scoring.CartesianBondedEnergy: Adding undefined angle VRT: X,ORIG,Y to DB with theta0 = 1.5708 , Ktheta = 80
core.scoring.CartesianBondedEnergy: Adding undefined length VRT: ORIG,X, to DB with d0 = 1 , Kd = 300
core.scoring.CartesianBondedEnergy: Adding undefined length VRT: ORIG,Y, to DB with d0 = 1 , Kd = 300
protocols.relax.FastRelax: CMD: repeat 9191.1 0 0 0.55
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 9737 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 23013784 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -4744.83 0.896175 0.896175 0.011
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 9181 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 19982884 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -4884.43 1.20292 1.20292 0.1375
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 8877 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 17933660 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -4906.1 1.52456 1.52456 0.3025
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 8643 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 16920160 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -4853.4 1.80392 1.80392 0.55
protocols.relax.FastRelax: MRP: 0 -4853.4 -4853.4 1.80392 1.80392
protocols.relax.FastRelax: CMD: accept_to_best -4853.4 1.80392 1.80392 0.55
protocols.relax.FastRelax: CMD: endrepeat -4853.4 1.80392 1.80392 0.55
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 10264 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 24444072 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -5485.45 1.96995 1.96995 0.011
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 9140 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 19490040 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -5254 2.03167 2.03167 0.1375
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 8917 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 18010796 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -5135.71 2.17757 2.17757 0.3025
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 8666 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 17037624 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -5021 2.30156 2.30156 0.55
protocols.relax.FastRelax: MRP: 1 -5021 -5021 2.30156 2.30156
protocols.relax.FastRelax: CMD: accept_to_best -5021 2.30156 2.30156 0.55
protocols.relax.FastRelax: CMD: endrepeat -5021 2.30156 2.30156 0.55
protocols::checkpoint: Deleting checkpoints of FastRelax
protocols.rosetta_scripts.ParsedProtocol: setting status to success
protocols.jd2.JobDistributor: input_relax_0001 reported success in 712 seconds
protocols.jd2.JobDistributor: no more batches to process...
protocols.jd2.JobDistributor: 1 jobs considered, 1 jobs attempted in 712 seconds

chain_C
align structure to input map
rank_003_alphafold2_ptm_model_3_seed_000_af2
flags
core.init.score_function_corrections: [ WARNING ] Flag -beta_nov16 is set but -weights are also specified. Not changing input weights file!
www.rosettacommons.org 2018-08-14T02:36:37.119534
-in::file::s input.pdb -parser::protocol B_relax_density.xml -ignore_unrecognized_res -edensity::mapreso 3.43 -edensity::cryoem_scatterers -crystal_refine -beta -out::suffix _relax -default_max_cycles 200
urandom', seed=113337087 seed_offset=0 real_seed=113337087
core.init.random: RandomGenerator:init: Normal mode, seed=113337087 RG_type=mt19937
protocols.jd2.PDBJobInputter: Instantiate PDBJobInputter
protocols.jd2.PDBJobInputter: PDBJobInputter::fill_jobs
protocols.jd2.PDBJobInputter: pushed input.pdb nstruct index 1
protocols.evaluation.ChiWellRmsdEvaluatorCreator: Evaluation Creator active ...
protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job
protocols.jd2.PDBJobInputter: filling pose from PDB input.pdb
core.chemical.GlobalResidueTypeSet: Finished initializing fa_standard residue type set. Created 617 residue types
core.chemical.GlobalResidueTypeSet: Total time to initialize 1.38 seconds.
core.import_pose.import_pose: File 'input.pdb' automatically determined to be of type PDB
protocols.rosetta_scripts.RosettaScriptsParser: dock_design_filename=B_relax_density.xml
protocols.rosetta_scripts.RosettaScriptsParser: Generating XML Schema for rosetta_scripts...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Initializing schema validator...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Validating input script...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Parsed script:
<ROSETTASCRIPTS>
<SCOREFXNS>
<ScoreFunction name="dens" weights="beta_cart">
>
>
ScoreFunction>
SCOREFXNS>
<MOVERS>
>
>
>
MOVERS>
<PROTOCOLS>
>
>
>
PROTOCOLS>
>
ROSETTASCRIPTS>
core.scoring.ScoreFunctionFactory: SCOREFUNCTION: beta_genpot.wts
core.scoring.etable: Starting energy table calculation
rep split to bottom of energy well
core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6)
core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6)
core.scoring.etable: Finished calculating energy tables.
HBPoly1D.csv
HBFadeIntervals.csv
HBEval.csv
DonStrength.csv
AccStrength.csv
all.ramaProb
prepro.ramaProb
omega_ppdep.all.txt
omega_ppdep.gly.txt
omega_ppdep.pro.txt
omega_ppdep.valile.txt
P_AA
P_AA_n
core.scoring.P_AA: shapovalov_lib::shap_p_aa_pp_smooth_level of 1( aka low_smooth ) got activated.
a20.prop
hydroxyl_torsion_preference.txt
generic_bonded.round6p.txt
core.scoring.GenericBondedPotential: Added total 0 bond parameters corresponding to 0 unique bonds.
core.scoring.GenericBondedPotential: Added total 0 angle parameters corresponding to 0 unique angles.
core.scoring.GenericBondedPotential: Added total 228 torsion parameters corresponding to 131380 unique torsions.
core.scoring.GenericBondedPotential: Added total 49 improper parameters corresponding to 65 unique impropers.
core.scoring.GenericBondedPotential: Added total 3 special-torsion parameters corresponding to 4 unique torsions.
core.scoring.etable: Starting energy table calculation
rep split to bottom of energy well
core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6)
core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6)
core.scoring.etable: Finished calculating energy tables.
pdb_pair_stats_fine
interchain_env_log.txt
interchain_pair_log.txt
env_log.txt
cbeta_den.txt
pair_log.txt
cenpack_log.txt
core.scoring.ramachandran: shapovalov_lib::shap_rama_smooth_level of 4( aka highest_smooth ) got activated.
all.ramaProb
core.scoring.CartesianBondedEnergy: Initializing IdealParametersDatabase with default Ks=300 , 80 , 20 , 10 , 40
default-lengths.txt
core.scoring.CartesianBondedEnergy: Read 757 bb-independent lengths.
default-angles.txt
core.scoring.CartesianBondedEnergy: Read 1456 bb-independent angles.
default-torsions.txt
core.scoring.CartesianBondedEnergy: Read 1 bb-independent torsions.
default-improper.txt
core.scoring.CartesianBondedEnergy: Read 2197 bb-independent improper tors.
protocols.jd2.parser.ScoreFunctionLoader: defined score function "dens" with weights "beta_cart"
protocols.jd2.parser.ScoreFunctionLoader: setting dens weight elec_dens_fast to 35
protocols.jd2.parser.ScoreFunctionLoader: User defined per-residue sidechain density reweighing:
protocols.jd2.parser.ScoreFunctionLoader: ALA 0.88
protocols.jd2.parser.ScoreFunctionLoader: CYS 0.81
protocols.jd2.parser.ScoreFunctionLoader: ASP 0.76
protocols.jd2.parser.ScoreFunctionLoader: GLU 0.76
protocols.jd2.parser.ScoreFunctionLoader: PHE 0.88
protocols.jd2.parser.ScoreFunctionLoader: GLY 1
protocols.jd2.parser.ScoreFunctionLoader: HIS 0.81
protocols.jd2.parser.ScoreFunctionLoader: ILE 0.88
protocols.jd2.parser.ScoreFunctionLoader: LYS 0.76
protocols.jd2.parser.ScoreFunctionLoader: LEU 0.88
protocols.jd2.parser.ScoreFunctionLoader: MET 0.76
protocols.jd2.parser.ScoreFunctionLoader: ASN 0.81
protocols.jd2.parser.ScoreFunctionLoader: PRO 0.88
protocols.jd2.parser.ScoreFunctionLoader: GLN 0.81
protocols.jd2.parser.ScoreFunctionLoader: ARG 0.76
protocols.jd2.parser.ScoreFunctionLoader: SER 0.81
protocols.jd2.parser.ScoreFunctionLoader: THR 0.81
protocols.jd2.parser.ScoreFunctionLoader: VAL 0.88
protocols.jd2.parser.ScoreFunctionLoader: TRP 0.88
protocols.jd2.parser.ScoreFunctionLoader: TYR 0.88
protocols.electron_density.util: Parsing SetupForDensityScoringMover----
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "setupdens" of type SetupForDensityScoring
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "loaddens" of type LoadDensityMap
default.txt ==================
protocols.relax.FastRelax: repeat 5
protocols.relax.FastRelax: ramp_repack_min 0.02 0.01 1.0
protocols.relax.FastRelax: ramp_repack_min 0.250 0.01 0.5
protocols.relax.FastRelax: ramp_repack_min 0.550 0.01 0.0
protocols.relax.FastRelax: ramp_repack_min 1 0.00001 0.0
protocols.relax.FastRelax: accept_to_best
protocols.relax.FastRelax: endrepeat
default.txt ==================
protocols.relax.FastRelax: repeat 2
protocols.relax.FastRelax: ramp_repack_min 0.02 0.01 1.0
protocols.relax.FastRelax: ramp_repack_min 0.250 0.01 0.5
protocols.relax.FastRelax: ramp_repack_min 0.550 0.01 0.0
protocols.relax.FastRelax: ramp_repack_min 1 0.00001 0.0
protocols.relax.FastRelax: accept_to_best
protocols.relax.FastRelax: endrepeat
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "relaxcart" of type FastRelax
protocols.rosetta_scripts.ParsedProtocol: ParsedProtocol mover with the following movers and filters
protocols.rosetta_scripts.ParsedProtocol: added mover "setupdens" with filter "true_filter"
protocols.rosetta_scripts.ParsedProtocol: added mover "loaddens" with filter "true_filter"
protocols.rosetta_scripts.ParsedProtocol: added mover "relaxcart" with filter "true_filter"
protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job
protocols.jd2.PDBJobInputter: filling pose from saved copy input.pdb
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER SetupForDensityScoring - setupdens=======================
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: [ WARNING ] No density map specified
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: [ WARNING ] No density map specified
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER LoadDensityMap - loaddens=======================
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: Loading density mapMAP.mrc
core.scoring.electron_density.ElectronDensity: Setting resolution to 3.43A
core.scoring.electron_density.ElectronDensity: atom mask to 3.2A
core.scoring.electron_density.ElectronDensity: CA mask to 6A
core.scoring.electron_density.ElectronDensity: Read density map'MAP.mrc'
core.scoring.electron_density.ElectronDensity: extent: 332 x 332 x 332
core.scoring.electron_density.ElectronDensity: origin: 0 x 0 x 0
core.scoring.electron_density.ElectronDensity: altorigin: 0 x 0 x 0
core.scoring.electron_density.ElectronDensity: grid: 332 x 332 x 332
core.scoring.electron_density.ElectronDensity: celldim: 332 x 332 x 332
core.scoring.electron_density.ElectronDensity: cellangles: 90 x 90 x 90
core.scoring.electron_density.ElectronDensity: voxel vol.: 1
core.scoring.electron_density.ElectronDensity: Effective resolution = 3.43
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER FastRelax - relaxcart=======================
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (521)
core.scoring.GenericBondedEnergy: Creating new peptide-bonded energy container (521)
elec_cp_reps.dat
core.scoring.elec.util: Read 40 countpair representative atoms
core.scoring.electron_density.ElectronDensity: Setting [kmin_,kmax_] to [0.062821,1.90674]
18.845 sum=(0,0)
core.pack.dunbrack.RotamerLibrary: shapovalov_lib_fixes_enable option is true.
Dunbrack10.lib.bin
Dunbrack10.lib.bin'.
core.pack.dunbrack.RotamerLibrary: Dunbrack 2010 library took 0.24 seconds to load from binary
core.scoring.CartesianBondedEnergy: Adding undefined angle VRT: X,ORIG,Y to DB with theta0 = 1.5708 , Ktheta = 80
core.scoring.CartesianBondedEnergy: Adding undefined length VRT: ORIG,X, to DB with d0 = 1 , Kd = 300
core.scoring.CartesianBondedEnergy: Adding undefined length VRT: ORIG,Y, to DB with d0 = 1 , Kd = 300
protocols.relax.FastRelax: CMD: repeat 6759.32 0 0 0.55
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 9750 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 23289888 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -4909.86 0.888564 0.888564 0.011
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 9488 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 20908296 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -5005.39 1.16875 1.16875 0.1375
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 9148 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 19496876 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -5019.25 1.536 1.536 0.3025
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 8904 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 18433304 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -4973.94 1.80513 1.80513 0.55
protocols.relax.FastRelax: MRP: 0 -4973.94 -4973.94 1.80513 1.80513
protocols.relax.FastRelax: CMD: accept_to_best -4973.94 1.80513 1.80513 0.55
protocols.relax.FastRelax: CMD: endrepeat -4973.94 1.80513 1.80513 0.55
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 10278 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 25622752 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -5602.52 2.01235 2.01235 0.011
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 9315 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 21136312 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -5391.48 2.12521 2.12521 0.1375
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 9002 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 19417968 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -5296.94 2.31734 2.31734 0.3025
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 8849 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 18647796 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -5183.66 2.47218 2.47218 0.55
protocols.relax.FastRelax: MRP: 1 -5183.66 -5183.66 2.47218 2.47218
protocols.relax.FastRelax: CMD: accept_to_best -5183.66 2.47218 2.47218 0.55
protocols.relax.FastRelax: CMD: endrepeat -5183.66 2.47218 2.47218 0.55
protocols::checkpoint: Deleting checkpoints of FastRelax
protocols.rosetta_scripts.ParsedProtocol: setting status to success
protocols.jd2.JobDistributor: input_relax_0001 reported success in 704 seconds
protocols.jd2.JobDistributor: no more batches to process...
protocols.jd2.JobDistributor: 1 jobs considered, 1 jobs attempted in 705 seconds

chain_C
align structure to input map
rank_004_alphafold2_ptm_model_4_seed_000_af2
flags
core.init.score_function_corrections: [ WARNING ] Flag -beta_nov16 is set but -weights are also specified. Not changing input weights file!
www.rosettacommons.org 2018-08-14T02:36:37.119534
-in::file::s input.pdb -parser::protocol B_relax_density.xml -ignore_unrecognized_res -edensity::mapreso 3.43 -edensity::cryoem_scatterers -crystal_refine -beta -out::suffix _relax -default_max_cycles 200
urandom', seed=653601501 seed_offset=0 real_seed=653601501
core.init.random: RandomGenerator:init: Normal mode, seed=653601501 RG_type=mt19937
protocols.jd2.PDBJobInputter: Instantiate PDBJobInputter
protocols.jd2.PDBJobInputter: PDBJobInputter::fill_jobs
protocols.jd2.PDBJobInputter: pushed input.pdb nstruct index 1
protocols.evaluation.ChiWellRmsdEvaluatorCreator: Evaluation Creator active ...
protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job
protocols.jd2.PDBJobInputter: filling pose from PDB input.pdb
core.chemical.GlobalResidueTypeSet: Finished initializing fa_standard residue type set. Created 617 residue types
core.chemical.GlobalResidueTypeSet: Total time to initialize 1.38 seconds.
core.import_pose.import_pose: File 'input.pdb' automatically determined to be of type PDB
protocols.rosetta_scripts.RosettaScriptsParser: dock_design_filename=B_relax_density.xml
protocols.rosetta_scripts.RosettaScriptsParser: Generating XML Schema for rosetta_scripts...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Initializing schema validator...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Validating input script...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Parsed script:
<ROSETTASCRIPTS>
<SCOREFXNS>
<ScoreFunction name="dens" weights="beta_cart">
>
>
ScoreFunction>
SCOREFXNS>
<MOVERS>
>
>
>
MOVERS>
<PROTOCOLS>
>
>
>
PROTOCOLS>
>
ROSETTASCRIPTS>
core.scoring.ScoreFunctionFactory: SCOREFUNCTION: beta_genpot.wts
core.scoring.etable: Starting energy table calculation
rep split to bottom of energy well
core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6)
core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6)
core.scoring.etable: Finished calculating energy tables.
HBPoly1D.csv
HBFadeIntervals.csv
HBEval.csv
DonStrength.csv
AccStrength.csv
all.ramaProb
prepro.ramaProb
omega_ppdep.all.txt
omega_ppdep.gly.txt
omega_ppdep.pro.txt
omega_ppdep.valile.txt
P_AA
P_AA_n
core.scoring.P_AA: shapovalov_lib::shap_p_aa_pp_smooth_level of 1( aka low_smooth ) got activated.
a20.prop
hydroxyl_torsion_preference.txt
generic_bonded.round6p.txt
core.scoring.GenericBondedPotential: Added total 0 bond parameters corresponding to 0 unique bonds.
core.scoring.GenericBondedPotential: Added total 0 angle parameters corresponding to 0 unique angles.
core.scoring.GenericBondedPotential: Added total 228 torsion parameters corresponding to 131380 unique torsions.
core.scoring.GenericBondedPotential: Added total 49 improper parameters corresponding to 65 unique impropers.
core.scoring.GenericBondedPotential: Added total 3 special-torsion parameters corresponding to 4 unique torsions.
core.scoring.etable: Starting energy table calculation
rep split to bottom of energy well
core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6)
core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6)
core.scoring.etable: Finished calculating energy tables.
pdb_pair_stats_fine
interchain_env_log.txt
interchain_pair_log.txt
env_log.txt
cbeta_den.txt
pair_log.txt
cenpack_log.txt
core.scoring.ramachandran: shapovalov_lib::shap_rama_smooth_level of 4( aka highest_smooth ) got activated.
all.ramaProb
core.scoring.CartesianBondedEnergy: Initializing IdealParametersDatabase with default Ks=300 , 80 , 20 , 10 , 40
default-lengths.txt
core.scoring.CartesianBondedEnergy: Read 757 bb-independent lengths.
default-angles.txt
core.scoring.CartesianBondedEnergy: Read 1456 bb-independent angles.
default-torsions.txt
core.scoring.CartesianBondedEnergy: Read 1 bb-independent torsions.
default-improper.txt
core.scoring.CartesianBondedEnergy: Read 2197 bb-independent improper tors.
protocols.jd2.parser.ScoreFunctionLoader: defined score function "dens" with weights "beta_cart"
protocols.jd2.parser.ScoreFunctionLoader: setting dens weight elec_dens_fast to 35
protocols.jd2.parser.ScoreFunctionLoader: User defined per-residue sidechain density reweighing:
protocols.jd2.parser.ScoreFunctionLoader: ALA 0.88
protocols.jd2.parser.ScoreFunctionLoader: CYS 0.81
protocols.jd2.parser.ScoreFunctionLoader: ASP 0.76
protocols.jd2.parser.ScoreFunctionLoader: GLU 0.76
protocols.jd2.parser.ScoreFunctionLoader: PHE 0.88
protocols.jd2.parser.ScoreFunctionLoader: GLY 1
protocols.jd2.parser.ScoreFunctionLoader: HIS 0.81
protocols.jd2.parser.ScoreFunctionLoader: ILE 0.88
protocols.jd2.parser.ScoreFunctionLoader: LYS 0.76
protocols.jd2.parser.ScoreFunctionLoader: LEU 0.88
protocols.jd2.parser.ScoreFunctionLoader: MET 0.76
protocols.jd2.parser.ScoreFunctionLoader: ASN 0.81
protocols.jd2.parser.ScoreFunctionLoader: PRO 0.88
protocols.jd2.parser.ScoreFunctionLoader: GLN 0.81
protocols.jd2.parser.ScoreFunctionLoader: ARG 0.76
protocols.jd2.parser.ScoreFunctionLoader: SER 0.81
protocols.jd2.parser.ScoreFunctionLoader: THR 0.81
protocols.jd2.parser.ScoreFunctionLoader: VAL 0.88
protocols.jd2.parser.ScoreFunctionLoader: TRP 0.88
protocols.jd2.parser.ScoreFunctionLoader: TYR 0.88
protocols.electron_density.util: Parsing SetupForDensityScoringMover----
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "setupdens" of type SetupForDensityScoring
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "loaddens" of type LoadDensityMap
default.txt ==================
protocols.relax.FastRelax: repeat 5
protocols.relax.FastRelax: ramp_repack_min 0.02 0.01 1.0
protocols.relax.FastRelax: ramp_repack_min 0.250 0.01 0.5
protocols.relax.FastRelax: ramp_repack_min 0.550 0.01 0.0
protocols.relax.FastRelax: ramp_repack_min 1 0.00001 0.0
protocols.relax.FastRelax: accept_to_best
protocols.relax.FastRelax: endrepeat
default.txt ==================
protocols.relax.FastRelax: repeat 2
protocols.relax.FastRelax: ramp_repack_min 0.02 0.01 1.0
protocols.relax.FastRelax: ramp_repack_min 0.250 0.01 0.5
protocols.relax.FastRelax: ramp_repack_min 0.550 0.01 0.0
protocols.relax.FastRelax: ramp_repack_min 1 0.00001 0.0
protocols.relax.FastRelax: accept_to_best
protocols.relax.FastRelax: endrepeat
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "relaxcart" of type FastRelax
protocols.rosetta_scripts.ParsedProtocol: ParsedProtocol mover with the following movers and filters
protocols.rosetta_scripts.ParsedProtocol: added mover "setupdens" with filter "true_filter"
protocols.rosetta_scripts.ParsedProtocol: added mover "loaddens" with filter "true_filter"
protocols.rosetta_scripts.ParsedProtocol: added mover "relaxcart" with filter "true_filter"
protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job
protocols.jd2.PDBJobInputter: filling pose from saved copy input.pdb
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER SetupForDensityScoring - setupdens=======================
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: [ WARNING ] No density map specified
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: [ WARNING ] No density map specified
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER LoadDensityMap - loaddens=======================
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: Loading density mapMAP.mrc
core.scoring.electron_density.ElectronDensity: Setting resolution to 3.43A
core.scoring.electron_density.ElectronDensity: atom mask to 3.2A
core.scoring.electron_density.ElectronDensity: CA mask to 6A
core.scoring.electron_density.ElectronDensity: Read density map'MAP.mrc'
core.scoring.electron_density.ElectronDensity: extent: 332 x 332 x 332
core.scoring.electron_density.ElectronDensity: origin: 0 x 0 x 0
core.scoring.electron_density.ElectronDensity: altorigin: 0 x 0 x 0
core.scoring.electron_density.ElectronDensity: grid: 332 x 332 x 332
core.scoring.electron_density.ElectronDensity: celldim: 332 x 332 x 332
core.scoring.electron_density.ElectronDensity: cellangles: 90 x 90 x 90
core.scoring.electron_density.ElectronDensity: voxel vol.: 1
core.scoring.electron_density.ElectronDensity: Effective resolution = 3.43
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER FastRelax - relaxcart=======================
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (521)
core.scoring.GenericBondedEnergy: Creating new peptide-bonded energy container (521)
elec_cp_reps.dat
core.scoring.elec.util: Read 40 countpair representative atoms
core.scoring.electron_density.ElectronDensity: Setting [kmin_,kmax_] to [0.062821,1.90674]
18.845 sum=(0,0)
core.pack.dunbrack.RotamerLibrary: shapovalov_lib_fixes_enable option is true.
Dunbrack10.lib.bin
Dunbrack10.lib.bin'.
core.pack.dunbrack.RotamerLibrary: Dunbrack 2010 library took 0.23 seconds to load from binary
core.scoring.CartesianBondedEnergy: Adding undefined angle VRT: X,ORIG,Y to DB with theta0 = 1.5708 , Ktheta = 80
core.scoring.CartesianBondedEnergy: Adding undefined length VRT: ORIG,X, to DB with d0 = 1 , Kd = 300
core.scoring.CartesianBondedEnergy: Adding undefined length VRT: ORIG,Y, to DB with d0 = 1 , Kd = 300
protocols.relax.FastRelax: CMD: repeat 6237.47 0 0 0.55
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 9758 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 23555224 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -5297.19 0.850231 0.850231 0.011
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 9435 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 20720100 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -5398.66 1.10773 1.10773 0.1375
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 9129 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 18841768 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -5391.54 1.34948 1.34948 0.3025
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 8900 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 17786392 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -5296.95 1.51935 1.51935 0.55
protocols.relax.FastRelax: MRP: 0 -5296.95 -5296.95 1.51935 1.51935
protocols.relax.FastRelax: CMD: accept_to_best -5296.95 1.51935 1.51935 0.55
protocols.relax.FastRelax: CMD: endrepeat -5296.95 1.51935 1.51935 0.55
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 10352 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 25155824 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -5880.4 1.6673 1.6673 0.011
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 9427 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 20540952 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -5637.05 1.71782 1.71782 0.1375
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 9037 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 18956988 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -5514.5 1.79477 1.79477 0.3025
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 8829 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 17804604 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -5394.74 1.88279 1.88279 0.55
protocols.relax.FastRelax: MRP: 1 -5394.74 -5394.74 1.88279 1.88279
protocols.relax.FastRelax: CMD: accept_to_best -5394.74 1.88279 1.88279 0.55
protocols.relax.FastRelax: CMD: endrepeat -5394.74 1.88279 1.88279 0.55
protocols::checkpoint: Deleting checkpoints of FastRelax
protocols.rosetta_scripts.ParsedProtocol: setting status to success
protocols.jd2.JobDistributor: input_relax_0001 reported success in 711 seconds
protocols.jd2.JobDistributor: no more batches to process...
protocols.jd2.JobDistributor: 1 jobs considered, 1 jobs attempted in 712 seconds

chain_C
align structure to input map
rank_005_alphafold2_ptm_model_5_seed_000_af2
flags
core.init.score_function_corrections: [ WARNING ] Flag -beta_nov16 is set but -weights are also specified. Not changing input weights file!
www.rosettacommons.org 2018-08-14T02:36:37.119534
-in::file::s input.pdb -parser::protocol B_relax_density.xml -ignore_unrecognized_res -edensity::mapreso 3.43 -edensity::cryoem_scatterers -crystal_refine -beta -out::suffix _relax -default_max_cycles 200
urandom', seed=1700356385 seed_offset=0 real_seed=1700356385
core.init.random: RandomGenerator:init: Normal mode, seed=1700356385 RG_type=mt19937
protocols.jd2.PDBJobInputter: Instantiate PDBJobInputter
protocols.jd2.PDBJobInputter: PDBJobInputter::fill_jobs
protocols.jd2.PDBJobInputter: pushed input.pdb nstruct index 1
protocols.evaluation.ChiWellRmsdEvaluatorCreator: Evaluation Creator active ...
protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job
protocols.jd2.PDBJobInputter: filling pose from PDB input.pdb
core.chemical.GlobalResidueTypeSet: Finished initializing fa_standard residue type set. Created 617 residue types
core.chemical.GlobalResidueTypeSet: Total time to initialize 1.53 seconds.
core.import_pose.import_pose: File 'input.pdb' automatically determined to be of type PDB
protocols.rosetta_scripts.RosettaScriptsParser: dock_design_filename=B_relax_density.xml
protocols.rosetta_scripts.RosettaScriptsParser: Generating XML Schema for rosetta_scripts...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Initializing schema validator...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Validating input script...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Parsed script:
<ROSETTASCRIPTS>
<SCOREFXNS>
<ScoreFunction name="dens" weights="beta_cart">
>
>
ScoreFunction>
SCOREFXNS>
<MOVERS>
>
>
>
MOVERS>
<PROTOCOLS>
>
>
>
PROTOCOLS>
>
ROSETTASCRIPTS>
core.scoring.ScoreFunctionFactory: SCOREFUNCTION: beta_genpot.wts
core.scoring.etable: Starting energy table calculation
rep split to bottom of energy well
core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6)
core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6)
core.scoring.etable: Finished calculating energy tables.
HBPoly1D.csv
HBFadeIntervals.csv
HBEval.csv
DonStrength.csv
AccStrength.csv
all.ramaProb
prepro.ramaProb
omega_ppdep.all.txt
omega_ppdep.gly.txt
omega_ppdep.pro.txt
omega_ppdep.valile.txt
P_AA
P_AA_n
core.scoring.P_AA: shapovalov_lib::shap_p_aa_pp_smooth_level of 1( aka low_smooth ) got activated.
a20.prop
hydroxyl_torsion_preference.txt
generic_bonded.round6p.txt
core.scoring.GenericBondedPotential: Added total 0 bond parameters corresponding to 0 unique bonds.
core.scoring.GenericBondedPotential: Added total 0 angle parameters corresponding to 0 unique angles.
core.scoring.GenericBondedPotential: Added total 228 torsion parameters corresponding to 131380 unique torsions.
core.scoring.GenericBondedPotential: Added total 49 improper parameters corresponding to 65 unique impropers.
core.scoring.GenericBondedPotential: Added total 3 special-torsion parameters corresponding to 4 unique torsions.
core.scoring.etable: Starting energy table calculation
rep split to bottom of energy well
core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6)
core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6)
core.scoring.etable: Finished calculating energy tables.
pdb_pair_stats_fine
interchain_env_log.txt
interchain_pair_log.txt
env_log.txt
cbeta_den.txt
pair_log.txt
cenpack_log.txt
core.scoring.ramachandran: shapovalov_lib::shap_rama_smooth_level of 4( aka highest_smooth ) got activated.
all.ramaProb
core.scoring.CartesianBondedEnergy: Initializing IdealParametersDatabase with default Ks=300 , 80 , 20 , 10 , 40
default-lengths.txt
core.scoring.CartesianBondedEnergy: Read 757 bb-independent lengths.
default-angles.txt
core.scoring.CartesianBondedEnergy: Read 1456 bb-independent angles.
default-torsions.txt
core.scoring.CartesianBondedEnergy: Read 1 bb-independent torsions.
default-improper.txt
core.scoring.CartesianBondedEnergy: Read 2197 bb-independent improper tors.
protocols.jd2.parser.ScoreFunctionLoader: defined score function "dens" with weights "beta_cart"
protocols.jd2.parser.ScoreFunctionLoader: setting dens weight elec_dens_fast to 35
protocols.jd2.parser.ScoreFunctionLoader: User defined per-residue sidechain density reweighing:
protocols.jd2.parser.ScoreFunctionLoader: ALA 0.88
protocols.jd2.parser.ScoreFunctionLoader: CYS 0.81
protocols.jd2.parser.ScoreFunctionLoader: ASP 0.76
protocols.jd2.parser.ScoreFunctionLoader: GLU 0.76
protocols.jd2.parser.ScoreFunctionLoader: PHE 0.88
protocols.jd2.parser.ScoreFunctionLoader: GLY 1
protocols.jd2.parser.ScoreFunctionLoader: HIS 0.81
protocols.jd2.parser.ScoreFunctionLoader: ILE 0.88
protocols.jd2.parser.ScoreFunctionLoader: LYS 0.76
protocols.jd2.parser.ScoreFunctionLoader: LEU 0.88
protocols.jd2.parser.ScoreFunctionLoader: MET 0.76
protocols.jd2.parser.ScoreFunctionLoader: ASN 0.81
protocols.jd2.parser.ScoreFunctionLoader: PRO 0.88
protocols.jd2.parser.ScoreFunctionLoader: GLN 0.81
protocols.jd2.parser.ScoreFunctionLoader: ARG 0.76
protocols.jd2.parser.ScoreFunctionLoader: SER 0.81
protocols.jd2.parser.ScoreFunctionLoader: THR 0.81
protocols.jd2.parser.ScoreFunctionLoader: VAL 0.88
protocols.jd2.parser.ScoreFunctionLoader: TRP 0.88
protocols.jd2.parser.ScoreFunctionLoader: TYR 0.88
protocols.electron_density.util: Parsing SetupForDensityScoringMover----
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "setupdens" of type SetupForDensityScoring
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "loaddens" of type LoadDensityMap
default.txt ==================
protocols.relax.FastRelax: repeat 5
protocols.relax.FastRelax: ramp_repack_min 0.02 0.01 1.0
protocols.relax.FastRelax: ramp_repack_min 0.250 0.01 0.5
protocols.relax.FastRelax: ramp_repack_min 0.550 0.01 0.0
protocols.relax.FastRelax: ramp_repack_min 1 0.00001 0.0
protocols.relax.FastRelax: accept_to_best
protocols.relax.FastRelax: endrepeat
default.txt ==================
protocols.relax.FastRelax: repeat 2
protocols.relax.FastRelax: ramp_repack_min 0.02 0.01 1.0
protocols.relax.FastRelax: ramp_repack_min 0.250 0.01 0.5
protocols.relax.FastRelax: ramp_repack_min 0.550 0.01 0.0
protocols.relax.FastRelax: ramp_repack_min 1 0.00001 0.0
protocols.relax.FastRelax: accept_to_best
protocols.relax.FastRelax: endrepeat
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "relaxcart" of type FastRelax
protocols.rosetta_scripts.ParsedProtocol: ParsedProtocol mover with the following movers and filters
protocols.rosetta_scripts.ParsedProtocol: added mover "setupdens" with filter "true_filter"
protocols.rosetta_scripts.ParsedProtocol: added mover "loaddens" with filter "true_filter"
protocols.rosetta_scripts.ParsedProtocol: added mover "relaxcart" with filter "true_filter"
protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job
protocols.jd2.PDBJobInputter: filling pose from saved copy input.pdb
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER SetupForDensityScoring - setupdens=======================
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: [ WARNING ] No density map specified
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: [ WARNING ] No density map specified
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER LoadDensityMap - loaddens=======================
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: Loading density mapMAP.mrc
core.scoring.electron_density.ElectronDensity: Setting resolution to 3.43A
core.scoring.electron_density.ElectronDensity: atom mask to 3.2A
core.scoring.electron_density.ElectronDensity: CA mask to 6A
core.scoring.electron_density.ElectronDensity: Read density map'MAP.mrc'
core.scoring.electron_density.ElectronDensity: extent: 332 x 332 x 332
core.scoring.electron_density.ElectronDensity: origin: 0 x 0 x 0
core.scoring.electron_density.ElectronDensity: altorigin: 0 x 0 x 0
core.scoring.electron_density.ElectronDensity: grid: 332 x 332 x 332
core.scoring.electron_density.ElectronDensity: celldim: 332 x 332 x 332
core.scoring.electron_density.ElectronDensity: cellangles: 90 x 90 x 90
core.scoring.electron_density.ElectronDensity: voxel vol.: 1
core.scoring.electron_density.ElectronDensity: Effective resolution = 3.43
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER FastRelax - relaxcart=======================
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (521)
core.scoring.GenericBondedEnergy: Creating new peptide-bonded energy container (521)
elec_cp_reps.dat
core.scoring.elec.util: Read 40 countpair representative atoms
core.scoring.electron_density.ElectronDensity: Setting [kmin_,kmax_] to [0.062821,1.90674]
18.845 sum=(0,0)
core.pack.dunbrack.RotamerLibrary: shapovalov_lib_fixes_enable option is true.
Dunbrack10.lib.bin
Dunbrack10.lib.bin'.
core.pack.dunbrack.RotamerLibrary: Dunbrack 2010 library took 0.23 seconds to load from binary
core.scoring.CartesianBondedEnergy: Adding undefined angle VRT: X,ORIG,Y to DB with theta0 = 1.5708 , Ktheta = 80
core.scoring.CartesianBondedEnergy: Adding undefined length VRT: ORIG,X, to DB with d0 = 1 , Kd = 300
core.scoring.CartesianBondedEnergy: Adding undefined length VRT: ORIG,Y, to DB with d0 = 1 , Kd = 300
protocols.relax.FastRelax: CMD: repeat 6181.96 0 0 0.55
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 9787 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 23472168 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -5315.07 0.8435 0.8435 0.011
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 9241 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 20358520 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -5362.52 1.1559 1.1559 0.1375
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 8988 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 18753992 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -5391.07 1.52801 1.52801 0.3025
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 8831 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 17817968 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -5363.67 1.80249 1.80249 0.55
protocols.relax.FastRelax: MRP: 0 -5363.67 -5363.67 1.80249 1.80249
protocols.relax.FastRelax: CMD: accept_to_best -5363.67 1.80249 1.80249 0.55
protocols.relax.FastRelax: CMD: endrepeat -5363.67 1.80249 1.80249 0.55
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 10198 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 24534360 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -5981.71 1.97941 1.97941 0.011
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 9317 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 20188772 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -5746.8 2.05266 2.05266 0.1375
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 9060 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 18684360 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -5643.94 2.22358 2.22358 0.3025
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 8856 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 17789328 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -5534.01 2.43428 2.43428 0.55
protocols.relax.FastRelax: MRP: 1 -5534.01 -5534.01 2.43428 2.43428
protocols.relax.FastRelax: CMD: accept_to_best -5534.01 2.43428 2.43428 0.55
protocols.relax.FastRelax: CMD: endrepeat -5534.01 2.43428 2.43428 0.55
protocols::checkpoint: Deleting checkpoints of FastRelax
protocols.rosetta_scripts.ParsedProtocol: setting status to success
protocols.jd2.JobDistributor: input_relax_0001 reported success in 714 seconds
protocols.jd2.JobDistributor: no more batches to process...
protocols.jd2.JobDistributor: 1 jobs considered, 1 jobs attempted in 714 seconds

Align structures finished.
====================================================================Modeling finished====================================================================
Selected strategy mode: Vanilla AF2
Input query sequence: MSESGHSQPGLYGIERRRRWKEPGSGGPQNLSGPGGRERDYIAPWERERRDASEETSTSVMQKTPIILSKPPAERSKQPPPPTAPAAPPAPAPLEKPIVLMKPREEGKGPVAVTGASTPEGTAPPPPAAPAPPKGEKEGQRPTQPVYQIQNRGMGTAAPAAMDPVVGQAKLLPPERMKHSIKLVDDQMNWCDSAIEYLLDQTDVLVVGVLGLQGTGKSMVMSLLSANTPEEDQRTYVFRAQSAEMKERGGNQTSGIDFFITQERIVFLDTQPILSPSILDHLINNDRKLPPEYNLPHTYVEMQSLQIAAFLFTVCHVVIVVQDWFTDLSLYRFLQTAEMVKPSTPSPSHESSSSSGSDEGTEYYPHLVFLQNKARREDFCPRKLRQMHLMIDQLMAHSHLRYKGTLSMLQCNVFPGLPPDFLDSEVNLFLVPFMDSEAESENPPRAGPGSSPLFSLLPGYRGHPSFQSLVSKLRSQVMSMARPQLSHTILTEKNWFHYAARIWDGVRKSSALAEYSRLLA
Job ID: e0e7fb1328087680d8822673aae46917_3b99c
Number of models to use: 0
Template mode: none
DAQ
====================================================================Modeling finished====================================================================
STEP-3: Running strategy 2
(prefix: 'str', result_dir: 'Path', feature_dict: 'Dict[str, Any]', is_complex: 'bool', use_templates: 'bool', sequences_lengths: 'List[int]', pad_len: 'int', model_type: 'str', model_runner_and_params: 'List[Tuple[str, model.RunModel, haiku.Params]]', num_relax: 'int' = 0, rank_by: 'str' = 'auto', random_seed: 'int' = 0, num_seeds: 'int' = 1, stop_at_score: 'float' = 100, prediction_callback: 'Callable[[Any, Any, Any, Any, Any], Any]' = None, use_gpu_relax: 'bool' = False, save_all: 'bool' = False, save_single_representations: 'bool' = False, save_pair_representations: 'bool' = False, save_recycles: 'bool' = False)
INFO: Input Protein Sequence and DAQ result file started
chain_C
Prepare trimmed template finished.
MSA finished.(if applicable)
INFO: Input Protein Sequence and DAQ result file Done
INFO: Modeling Part started
chain_C
trimmed_msa.a3m to e0e7fb1328087680d8822673aae46917_8c349.custom.a3m
The size of 'e0e7fb1328087680d8822673aae46917_8c349.custom.a3m' is 1947056 bytes.
MSA settings finished.
Advanced settings finished.
DAQ-Refine
Install dependencies finished.
GPU is not available.
chain_C
start running download_alphafold
2025-09-16 17:22:28,442 Running on GPU
2025-09-16 17:22:28,464 Found 4 citations for tools or databases
1tmp.cif.bak.
1: e0e7fb1328087680d8822673aae46917_8c349.custom (length 520)
2025-09-16 17:22:30,700 Sequence 0 found templates: ['1tmp_C', '1tmp_C']
2025-09-16 17:22:32,189 Setting max_seq=512, max_extra_seq=2504
2025-09-16 17:23:56,526 alphafold2_ptm_model_1_seed_000 recycle=0 pLDDT=74.1 pTM=0.662
2025-09-16 17:24:59,959 alphafold2_ptm_model_1_seed_000 recycle=1 pLDDT=75.3 pTM=0.69 tol=6.21
2025-09-16 17:24:59,962 alphafold2_ptm_model_1_seed_000 took 140.1s (1 recycles)
2025-09-16 17:25:54,964 alphafold2_ptm_model_2_seed_000 recycle=0 pLDDT=71.1 pTM=0.639
2025-09-16 17:26:39,994 alphafold2_ptm_model_2_seed_000 recycle=1 pLDDT=72.9 pTM=0.663 tol=8.7
2025-09-16 17:26:39,997 alphafold2_ptm_model_2_seed_000 took 99.6s (1 recycles)
2025-09-16 17:27:43,319 alphafold2_ptm_model_3_seed_000 recycle=0 pLDDT=40.7 pTM=0.21
2025-09-16 17:28:25,610 alphafold2_ptm_model_3_seed_000 recycle=1 pLDDT=45.1 pTM=0.23 tol=14.6
2025-09-16 17:28:25,617 alphafold2_ptm_model_3_seed_000 took 105.0s (1 recycles)
2025-09-16 17:29:08,644 alphafold2_ptm_model_4_seed_000 recycle=0 pLDDT=38 pTM=0.186
2025-09-16 17:29:51,436 alphafold2_ptm_model_4_seed_000 recycle=1 pLDDT=42.4 pTM=0.21 tol=21.7
2025-09-16 17:29:51,441 alphafold2_ptm_model_4_seed_000 took 85.2s (1 recycles)
2025-09-16 17:30:34,587 alphafold2_ptm_model_5_seed_000 recycle=0 pLDDT=39.5 pTM=0.188
2025-09-16 17:31:16,822 alphafold2_ptm_model_5_seed_000 recycle=1 pLDDT=44.2 pTM=0.203 tol=20.6
2025-09-16 17:31:16,825 alphafold2_ptm_model_5_seed_000 took 84.8s (1 recycles)
2025-09-16 17:31:17,463 reranking models by 'plddt' metric
2025-09-16 17:31:17,464 rank_001_alphafold2_ptm_model_1_seed_000 pLDDT=75.3 pTM=0.69
2025-09-16 17:31:17,471 rank_002_alphafold2_ptm_model_2_seed_000 pLDDT=72.9 pTM=0.663
2025-09-16 17:31:17,478 rank_003_alphafold2_ptm_model_3_seed_000 pLDDT=45.1 pTM=0.23
2025-09-16 17:31:17,485 rank_004_alphafold2_ptm_model_5_seed_000 pLDDT=44.2 pTM=0.203
2025-09-16 17:31:17,490 rank_005_alphafold2_ptm_model_4_seed_000 pLDDT=42.4 pTM=0.21
2025-09-16 17:31:20,848 Done
Prediction finished.
INFO: Modeling Part Done
chain_C
chain_C
align structure to input map
rank_001_alphafold2_ptm_model_1_seed_000_s2
flags
core.init.score_function_corrections: [ WARNING ] Flag -beta_nov16 is set but -weights are also specified. Not changing input weights file!
www.rosettacommons.org 2018-08-14T02:36:37.119534
-in::file::s input.pdb -parser::protocol B_relax_density.xml -ignore_unrecognized_res -edensity::mapreso 3.43 -edensity::cryoem_scatterers -crystal_refine -beta -out::suffix _relax -default_max_cycles 200
urandom', seed=1481141842 seed_offset=0 real_seed=1481141842
core.init.random: RandomGenerator:init: Normal mode, seed=1481141842 RG_type=mt19937
protocols.jd2.PDBJobInputter: Instantiate PDBJobInputter
protocols.jd2.PDBJobInputter: PDBJobInputter::fill_jobs
protocols.jd2.PDBJobInputter: pushed input.pdb nstruct index 1
protocols.evaluation.ChiWellRmsdEvaluatorCreator: Evaluation Creator active ...
protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job
protocols.jd2.PDBJobInputter: filling pose from PDB input.pdb
core.chemical.GlobalResidueTypeSet: Finished initializing fa_standard residue type set. Created 617 residue types
core.chemical.GlobalResidueTypeSet: Total time to initialize 1.43 seconds.
core.import_pose.import_pose: File 'input.pdb' automatically determined to be of type PDB
protocols.rosetta_scripts.RosettaScriptsParser: dock_design_filename=B_relax_density.xml
protocols.rosetta_scripts.RosettaScriptsParser: Generating XML Schema for rosetta_scripts...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Initializing schema validator...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Validating input script...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Parsed script:
<ROSETTASCRIPTS>
<SCOREFXNS>
<ScoreFunction name="dens" weights="beta_cart">
>
>
ScoreFunction>
SCOREFXNS>
<MOVERS>
>
>
>
MOVERS>
<PROTOCOLS>
>
>
>
PROTOCOLS>
>
ROSETTASCRIPTS>
core.scoring.ScoreFunctionFactory: SCOREFUNCTION: beta_genpot.wts
core.scoring.etable: Starting energy table calculation
rep split to bottom of energy well
core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6)
core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6)
core.scoring.etable: Finished calculating energy tables.
HBPoly1D.csv
HBFadeIntervals.csv
HBEval.csv
DonStrength.csv
AccStrength.csv
all.ramaProb
prepro.ramaProb
omega_ppdep.all.txt
omega_ppdep.gly.txt
omega_ppdep.pro.txt
omega_ppdep.valile.txt
P_AA
P_AA_n
core.scoring.P_AA: shapovalov_lib::shap_p_aa_pp_smooth_level of 1( aka low_smooth ) got activated.
a20.prop
hydroxyl_torsion_preference.txt
generic_bonded.round6p.txt
core.scoring.GenericBondedPotential: Added total 0 bond parameters corresponding to 0 unique bonds.
core.scoring.GenericBondedPotential: Added total 0 angle parameters corresponding to 0 unique angles.
core.scoring.GenericBondedPotential: Added total 228 torsion parameters corresponding to 131380 unique torsions.
core.scoring.GenericBondedPotential: Added total 49 improper parameters corresponding to 65 unique impropers.
core.scoring.GenericBondedPotential: Added total 3 special-torsion parameters corresponding to 4 unique torsions.
core.scoring.etable: Starting energy table calculation
rep split to bottom of energy well
core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6)
core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6)
core.scoring.etable: Finished calculating energy tables.
pdb_pair_stats_fine
interchain_env_log.txt
interchain_pair_log.txt
env_log.txt
cbeta_den.txt
pair_log.txt
cenpack_log.txt
core.scoring.ramachandran: shapovalov_lib::shap_rama_smooth_level of 4( aka highest_smooth ) got activated.
all.ramaProb
core.scoring.CartesianBondedEnergy: Initializing IdealParametersDatabase with default Ks=300 , 80 , 20 , 10 , 40
default-lengths.txt
core.scoring.CartesianBondedEnergy: Read 757 bb-independent lengths.
default-angles.txt
core.scoring.CartesianBondedEnergy: Read 1456 bb-independent angles.
default-torsions.txt
core.scoring.CartesianBondedEnergy: Read 1 bb-independent torsions.
default-improper.txt
core.scoring.CartesianBondedEnergy: Read 2197 bb-independent improper tors.
protocols.jd2.parser.ScoreFunctionLoader: defined score function "dens" with weights "beta_cart"
protocols.jd2.parser.ScoreFunctionLoader: setting dens weight elec_dens_fast to 35
protocols.jd2.parser.ScoreFunctionLoader: User defined per-residue sidechain density reweighing:
protocols.jd2.parser.ScoreFunctionLoader: ALA 0.88
protocols.jd2.parser.ScoreFunctionLoader: CYS 0.81
protocols.jd2.parser.ScoreFunctionLoader: ASP 0.76
protocols.jd2.parser.ScoreFunctionLoader: GLU 0.76
protocols.jd2.parser.ScoreFunctionLoader: PHE 0.88
protocols.jd2.parser.ScoreFunctionLoader: GLY 1
protocols.jd2.parser.ScoreFunctionLoader: HIS 0.81
protocols.jd2.parser.ScoreFunctionLoader: ILE 0.88
protocols.jd2.parser.ScoreFunctionLoader: LYS 0.76
protocols.jd2.parser.ScoreFunctionLoader: LEU 0.88
protocols.jd2.parser.ScoreFunctionLoader: MET 0.76
protocols.jd2.parser.ScoreFunctionLoader: ASN 0.81
protocols.jd2.parser.ScoreFunctionLoader: PRO 0.88
protocols.jd2.parser.ScoreFunctionLoader: GLN 0.81
protocols.jd2.parser.ScoreFunctionLoader: ARG 0.76
protocols.jd2.parser.ScoreFunctionLoader: SER 0.81
protocols.jd2.parser.ScoreFunctionLoader: THR 0.81
protocols.jd2.parser.ScoreFunctionLoader: VAL 0.88
protocols.jd2.parser.ScoreFunctionLoader: TRP 0.88
protocols.jd2.parser.ScoreFunctionLoader: TYR 0.88
protocols.electron_density.util: Parsing SetupForDensityScoringMover----
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "setupdens" of type SetupForDensityScoring
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "loaddens" of type LoadDensityMap
default.txt ==================
protocols.relax.FastRelax: repeat 5
protocols.relax.FastRelax: ramp_repack_min 0.02 0.01 1.0
protocols.relax.FastRelax: ramp_repack_min 0.250 0.01 0.5
protocols.relax.FastRelax: ramp_repack_min 0.550 0.01 0.0
protocols.relax.FastRelax: ramp_repack_min 1 0.00001 0.0
protocols.relax.FastRelax: accept_to_best
protocols.relax.FastRelax: endrepeat
default.txt ==================
protocols.relax.FastRelax: repeat 2
protocols.relax.FastRelax: ramp_repack_min 0.02 0.01 1.0
protocols.relax.FastRelax: ramp_repack_min 0.250 0.01 0.5
protocols.relax.FastRelax: ramp_repack_min 0.550 0.01 0.0
protocols.relax.FastRelax: ramp_repack_min 1 0.00001 0.0
protocols.relax.FastRelax: accept_to_best
protocols.relax.FastRelax: endrepeat
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "relaxcart" of type FastRelax
protocols.rosetta_scripts.ParsedProtocol: ParsedProtocol mover with the following movers and filters
protocols.rosetta_scripts.ParsedProtocol: added mover "setupdens" with filter "true_filter"
protocols.rosetta_scripts.ParsedProtocol: added mover "loaddens" with filter "true_filter"
protocols.rosetta_scripts.ParsedProtocol: added mover "relaxcart" with filter "true_filter"
protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job
protocols.jd2.PDBJobInputter: filling pose from saved copy input.pdb
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER SetupForDensityScoring - setupdens=======================
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: [ WARNING ] No density map specified
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: [ WARNING ] No density map specified
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER LoadDensityMap - loaddens=======================
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: Loading density mapMAP.mrc
core.scoring.electron_density.ElectronDensity: Setting resolution to 3.43A
core.scoring.electron_density.ElectronDensity: atom mask to 3.2A
core.scoring.electron_density.ElectronDensity: CA mask to 6A
core.scoring.electron_density.ElectronDensity: Read density map'MAP.mrc'
core.scoring.electron_density.ElectronDensity: extent: 332 x 332 x 332
core.scoring.electron_density.ElectronDensity: origin: 0 x 0 x 0
core.scoring.electron_density.ElectronDensity: altorigin: 0 x 0 x 0
core.scoring.electron_density.ElectronDensity: grid: 332 x 332 x 332
core.scoring.electron_density.ElectronDensity: celldim: 332 x 332 x 332
core.scoring.electron_density.ElectronDensity: cellangles: 90 x 90 x 90
core.scoring.electron_density.ElectronDensity: voxel vol.: 1
core.scoring.electron_density.ElectronDensity: Effective resolution = 3.43
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER FastRelax - relaxcart=======================
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (521)
core.scoring.GenericBondedEnergy: Creating new peptide-bonded energy container (521)
elec_cp_reps.dat
core.scoring.elec.util: Read 40 countpair representative atoms
core.scoring.electron_density.ElectronDensity: Setting [kmin_,kmax_] to [0.062821,1.90674]
18.845 sum=(0,0)
core.pack.dunbrack.RotamerLibrary: shapovalov_lib_fixes_enable option is true.
Dunbrack10.lib.bin
Dunbrack10.lib.bin'.
core.pack.dunbrack.RotamerLibrary: Dunbrack 2010 library took 0.27 seconds to load from binary
core.scoring.CartesianBondedEnergy: Adding undefined angle VRT: X,ORIG,Y to DB with theta0 = 1.5708 , Ktheta = 80
core.scoring.CartesianBondedEnergy: Adding undefined length VRT: ORIG,X, to DB with d0 = 1 , Kd = 300
core.scoring.CartesianBondedEnergy: Adding undefined length VRT: ORIG,Y, to DB with d0 = 1 , Kd = 300
protocols.relax.FastRelax: CMD: repeat 12045.1 0 0 0.55
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 9544 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 21663112 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -4199.96 0.947793 0.947793 0.011
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 8711 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 17618692 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -4495.55 1.36995 1.36995 0.1375
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 8680 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 16703744 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -4586.7 1.7921 1.7921 0.3025
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 8453 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 15898168 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -4567.5 2.09872 2.09872 0.55
protocols.relax.FastRelax: MRP: 0 -4567.5 -4567.5 2.09872 2.09872
protocols.relax.FastRelax: CMD: accept_to_best -4567.5 2.09872 2.09872 0.55
protocols.relax.FastRelax: CMD: endrepeat -4567.5 2.09872 2.09872 0.55
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 9989 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 22666704 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -5257.26 2.30544 2.30544 0.011
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 8798 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 17807848 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -5017.75 2.42062 2.42062 0.1375
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 8527 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 16539540 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -4917.17 2.59801 2.59801 0.3025
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 8334 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 15867104 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -4804.45 2.75657 2.75657 0.55
protocols.relax.FastRelax: MRP: 1 -4804.45 -4804.45 2.75657 2.75657
protocols.relax.FastRelax: CMD: accept_to_best -4804.45 2.75657 2.75657 0.55
protocols.relax.FastRelax: CMD: endrepeat -4804.45 2.75657 2.75657 0.55
protocols::checkpoint: Deleting checkpoints of FastRelax
protocols.rosetta_scripts.ParsedProtocol: setting status to success
protocols.jd2.JobDistributor: input_relax_0001 reported success in 706 seconds
protocols.jd2.JobDistributor: no more batches to process...
protocols.jd2.JobDistributor: 1 jobs considered, 1 jobs attempted in 706 seconds

chain_C
align structure to input map
rank_002_alphafold2_ptm_model_2_seed_000_s2
flags
core.init.score_function_corrections: [ WARNING ] Flag -beta_nov16 is set but -weights are also specified. Not changing input weights file!
www.rosettacommons.org 2018-08-14T02:36:37.119534
-in::file::s input.pdb -parser::protocol B_relax_density.xml -ignore_unrecognized_res -edensity::mapreso 3.43 -edensity::cryoem_scatterers -crystal_refine -beta -out::suffix _relax -default_max_cycles 200
urandom', seed=-1276660991 seed_offset=0 real_seed=-1276660991
core.init.random: RandomGenerator:init: Normal mode, seed=-1276660991 RG_type=mt19937
protocols.jd2.PDBJobInputter: Instantiate PDBJobInputter
protocols.jd2.PDBJobInputter: PDBJobInputter::fill_jobs
protocols.jd2.PDBJobInputter: pushed input.pdb nstruct index 1
protocols.evaluation.ChiWellRmsdEvaluatorCreator: Evaluation Creator active ...
protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job
protocols.jd2.PDBJobInputter: filling pose from PDB input.pdb
core.chemical.GlobalResidueTypeSet: Finished initializing fa_standard residue type set. Created 617 residue types
core.chemical.GlobalResidueTypeSet: Total time to initialize 1.47 seconds.
core.import_pose.import_pose: File 'input.pdb' automatically determined to be of type PDB
protocols.rosetta_scripts.RosettaScriptsParser: dock_design_filename=B_relax_density.xml
protocols.rosetta_scripts.RosettaScriptsParser: Generating XML Schema for rosetta_scripts...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Initializing schema validator...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Validating input script...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Parsed script:
<ROSETTASCRIPTS>
<SCOREFXNS>
<ScoreFunction name="dens" weights="beta_cart">
>
>
ScoreFunction>
SCOREFXNS>
<MOVERS>
>
>
>
MOVERS>
<PROTOCOLS>
>
>
>
PROTOCOLS>
>
ROSETTASCRIPTS>
core.scoring.ScoreFunctionFactory: SCOREFUNCTION: beta_genpot.wts
core.scoring.etable: Starting energy table calculation
rep split to bottom of energy well
core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6)
core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6)
core.scoring.etable: Finished calculating energy tables.
HBPoly1D.csv
HBFadeIntervals.csv
HBEval.csv
DonStrength.csv
AccStrength.csv
all.ramaProb
prepro.ramaProb
omega_ppdep.all.txt
omega_ppdep.gly.txt
omega_ppdep.pro.txt
omega_ppdep.valile.txt
P_AA
P_AA_n
core.scoring.P_AA: shapovalov_lib::shap_p_aa_pp_smooth_level of 1( aka low_smooth ) got activated.
a20.prop
hydroxyl_torsion_preference.txt
generic_bonded.round6p.txt
core.scoring.GenericBondedPotential: Added total 0 bond parameters corresponding to 0 unique bonds.
core.scoring.GenericBondedPotential: Added total 0 angle parameters corresponding to 0 unique angles.
core.scoring.GenericBondedPotential: Added total 228 torsion parameters corresponding to 131380 unique torsions.
core.scoring.GenericBondedPotential: Added total 49 improper parameters corresponding to 65 unique impropers.
core.scoring.GenericBondedPotential: Added total 3 special-torsion parameters corresponding to 4 unique torsions.
core.scoring.etable: Starting energy table calculation
rep split to bottom of energy well
core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6)
core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6)
core.scoring.etable: Finished calculating energy tables.
pdb_pair_stats_fine
interchain_env_log.txt
interchain_pair_log.txt
env_log.txt
cbeta_den.txt
pair_log.txt
cenpack_log.txt
core.scoring.ramachandran: shapovalov_lib::shap_rama_smooth_level of 4( aka highest_smooth ) got activated.
all.ramaProb
core.scoring.CartesianBondedEnergy: Initializing IdealParametersDatabase with default Ks=300 , 80 , 20 , 10 , 40
default-lengths.txt
core.scoring.CartesianBondedEnergy: Read 757 bb-independent lengths.
default-angles.txt
core.scoring.CartesianBondedEnergy: Read 1456 bb-independent angles.
default-torsions.txt
core.scoring.CartesianBondedEnergy: Read 1 bb-independent torsions.
default-improper.txt
core.scoring.CartesianBondedEnergy: Read 2197 bb-independent improper tors.
protocols.jd2.parser.ScoreFunctionLoader: defined score function "dens" with weights "beta_cart"
protocols.jd2.parser.ScoreFunctionLoader: setting dens weight elec_dens_fast to 35
protocols.jd2.parser.ScoreFunctionLoader: User defined per-residue sidechain density reweighing:
protocols.jd2.parser.ScoreFunctionLoader: ALA 0.88
protocols.jd2.parser.ScoreFunctionLoader: CYS 0.81
protocols.jd2.parser.ScoreFunctionLoader: ASP 0.76
protocols.jd2.parser.ScoreFunctionLoader: GLU 0.76
protocols.jd2.parser.ScoreFunctionLoader: PHE 0.88
protocols.jd2.parser.ScoreFunctionLoader: GLY 1
protocols.jd2.parser.ScoreFunctionLoader: HIS 0.81
protocols.jd2.parser.ScoreFunctionLoader: ILE 0.88
protocols.jd2.parser.ScoreFunctionLoader: LYS 0.76
protocols.jd2.parser.ScoreFunctionLoader: LEU 0.88
protocols.jd2.parser.ScoreFunctionLoader: MET 0.76
protocols.jd2.parser.ScoreFunctionLoader: ASN 0.81
protocols.jd2.parser.ScoreFunctionLoader: PRO 0.88
protocols.jd2.parser.ScoreFunctionLoader: GLN 0.81
protocols.jd2.parser.ScoreFunctionLoader: ARG 0.76
protocols.jd2.parser.ScoreFunctionLoader: SER 0.81
protocols.jd2.parser.ScoreFunctionLoader: THR 0.81
protocols.jd2.parser.ScoreFunctionLoader: VAL 0.88
protocols.jd2.parser.ScoreFunctionLoader: TRP 0.88
protocols.jd2.parser.ScoreFunctionLoader: TYR 0.88
protocols.electron_density.util: Parsing SetupForDensityScoringMover----
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "setupdens" of type SetupForDensityScoring
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "loaddens" of type LoadDensityMap
default.txt ==================
protocols.relax.FastRelax: repeat 5
protocols.relax.FastRelax: ramp_repack_min 0.02 0.01 1.0
protocols.relax.FastRelax: ramp_repack_min 0.250 0.01 0.5
protocols.relax.FastRelax: ramp_repack_min 0.550 0.01 0.0
protocols.relax.FastRelax: ramp_repack_min 1 0.00001 0.0
protocols.relax.FastRelax: accept_to_best
protocols.relax.FastRelax: endrepeat
default.txt ==================
protocols.relax.FastRelax: repeat 2
protocols.relax.FastRelax: ramp_repack_min 0.02 0.01 1.0
protocols.relax.FastRelax: ramp_repack_min 0.250 0.01 0.5
protocols.relax.FastRelax: ramp_repack_min 0.550 0.01 0.0
protocols.relax.FastRelax: ramp_repack_min 1 0.00001 0.0
protocols.relax.FastRelax: accept_to_best
protocols.relax.FastRelax: endrepeat
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "relaxcart" of type FastRelax
protocols.rosetta_scripts.ParsedProtocol: ParsedProtocol mover with the following movers and filters
protocols.rosetta_scripts.ParsedProtocol: added mover "setupdens" with filter "true_filter"
protocols.rosetta_scripts.ParsedProtocol: added mover "loaddens" with filter "true_filter"
protocols.rosetta_scripts.ParsedProtocol: added mover "relaxcart" with filter "true_filter"
protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job
protocols.jd2.PDBJobInputter: filling pose from saved copy input.pdb
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER SetupForDensityScoring - setupdens=======================
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: [ WARNING ] No density map specified
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: [ WARNING ] No density map specified
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER LoadDensityMap - loaddens=======================
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: Loading density mapMAP.mrc
core.scoring.electron_density.ElectronDensity: Setting resolution to 3.43A
core.scoring.electron_density.ElectronDensity: atom mask to 3.2A
core.scoring.electron_density.ElectronDensity: CA mask to 6A
core.scoring.electron_density.ElectronDensity: Read density map'MAP.mrc'
core.scoring.electron_density.ElectronDensity: extent: 332 x 332 x 332
core.scoring.electron_density.ElectronDensity: origin: 0 x 0 x 0
core.scoring.electron_density.ElectronDensity: altorigin: 0 x 0 x 0
core.scoring.electron_density.ElectronDensity: grid: 332 x 332 x 332
core.scoring.electron_density.ElectronDensity: celldim: 332 x 332 x 332
core.scoring.electron_density.ElectronDensity: cellangles: 90 x 90 x 90
core.scoring.electron_density.ElectronDensity: voxel vol.: 1
core.scoring.electron_density.ElectronDensity: Effective resolution = 3.43
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER FastRelax - relaxcart=======================
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (521)
core.scoring.GenericBondedEnergy: Creating new peptide-bonded energy container (521)
elec_cp_reps.dat
core.scoring.elec.util: Read 40 countpair representative atoms
core.scoring.electron_density.ElectronDensity: Setting [kmin_,kmax_] to [0.062821,1.90674]
18.845 sum=(0,0)
core.pack.dunbrack.RotamerLibrary: shapovalov_lib_fixes_enable option is true.
Dunbrack10.lib.bin
Dunbrack10.lib.bin'.
core.pack.dunbrack.RotamerLibrary: Dunbrack 2010 library took 0.28 seconds to load from binary
core.scoring.CartesianBondedEnergy: Adding undefined angle VRT: X,ORIG,Y to DB with theta0 = 1.5708 , Ktheta = 80
core.scoring.CartesianBondedEnergy: Adding undefined length VRT: ORIG,X, to DB with d0 = 1 , Kd = 300
core.scoring.CartesianBondedEnergy: Adding undefined length VRT: ORIG,Y, to DB with d0 = 1 , Kd = 300
protocols.relax.FastRelax: CMD: repeat 9872.52 0 0 0.55
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 9547 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 21326956 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -4698.44 0.836229 0.836229 0.011
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 9125 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 18286852 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -4888.1 1.19139 1.19139 0.1375
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 8809 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 16925328 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -4935.93 1.57722 1.57722 0.3025
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 8590 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 15969488 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -4921.68 1.90992 1.90992 0.55
protocols.relax.FastRelax: MRP: 0 -4921.68 -4921.68 1.90992 1.90992
protocols.relax.FastRelax: CMD: accept_to_best -4921.68 1.90992 1.90992 0.55
protocols.relax.FastRelax: CMD: endrepeat -4921.68 1.90992 1.90992 0.55
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 10210 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 23013172 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -5604.66 2.19323 2.19323 0.011
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 9159 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 18175080 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -5394.14 2.33137 2.33137 0.1375
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 8875 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 16911296 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -5303.57 2.53521 2.53521 0.3025
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 8610 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 15937024 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -5213.81 2.7029 2.7029 0.55
protocols.relax.FastRelax: MRP: 1 -5213.81 -5213.81 2.7029 2.7029
protocols.relax.FastRelax: CMD: accept_to_best -5213.81 2.7029 2.7029 0.55
protocols.relax.FastRelax: CMD: endrepeat -5213.81 2.7029 2.7029 0.55
protocols::checkpoint: Deleting checkpoints of FastRelax
protocols.rosetta_scripts.ParsedProtocol: setting status to success
protocols.jd2.JobDistributor: input_relax_0001 reported success in 686 seconds
protocols.jd2.JobDistributor: no more batches to process...
protocols.jd2.JobDistributor: 1 jobs considered, 1 jobs attempted in 687 seconds

chain_C
align structure to input map
rank_003_alphafold2_ptm_model_3_seed_000_s2
flags
core.init.score_function_corrections: [ WARNING ] Flag -beta_nov16 is set but -weights are also specified. Not changing input weights file!
www.rosettacommons.org 2018-08-14T02:36:37.119534
-in::file::s input.pdb -parser::protocol B_relax_density.xml -ignore_unrecognized_res -edensity::mapreso 3.43 -edensity::cryoem_scatterers -crystal_refine -beta -out::suffix _relax -default_max_cycles 200
urandom', seed=-387857271 seed_offset=0 real_seed=-387857271
core.init.random: RandomGenerator:init: Normal mode, seed=-387857271 RG_type=mt19937
protocols.jd2.PDBJobInputter: Instantiate PDBJobInputter
protocols.jd2.PDBJobInputter: PDBJobInputter::fill_jobs
protocols.jd2.PDBJobInputter: pushed input.pdb nstruct index 1
protocols.evaluation.ChiWellRmsdEvaluatorCreator: Evaluation Creator active ...
protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job
protocols.jd2.PDBJobInputter: filling pose from PDB input.pdb
core.chemical.GlobalResidueTypeSet: Finished initializing fa_standard residue type set. Created 617 residue types
core.chemical.GlobalResidueTypeSet: Total time to initialize 1.42 seconds.
core.import_pose.import_pose: File 'input.pdb' automatically determined to be of type PDB
protocols.rosetta_scripts.RosettaScriptsParser: dock_design_filename=B_relax_density.xml
protocols.rosetta_scripts.RosettaScriptsParser: Generating XML Schema for rosetta_scripts...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Initializing schema validator...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Validating input script...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Parsed script:
<ROSETTASCRIPTS>
<SCOREFXNS>
<ScoreFunction name="dens" weights="beta_cart">
>
>
ScoreFunction>
SCOREFXNS>
<MOVERS>
>
>
>
MOVERS>
<PROTOCOLS>
>
>
>
PROTOCOLS>
>
ROSETTASCRIPTS>
core.scoring.ScoreFunctionFactory: SCOREFUNCTION: beta_genpot.wts
core.scoring.etable: Starting energy table calculation
rep split to bottom of energy well
core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6)
core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6)
core.scoring.etable: Finished calculating energy tables.
HBPoly1D.csv
HBFadeIntervals.csv
HBEval.csv
DonStrength.csv
AccStrength.csv
all.ramaProb
prepro.ramaProb
omega_ppdep.all.txt
omega_ppdep.gly.txt
omega_ppdep.pro.txt
omega_ppdep.valile.txt
P_AA
P_AA_n
core.scoring.P_AA: shapovalov_lib::shap_p_aa_pp_smooth_level of 1( aka low_smooth ) got activated.
a20.prop
hydroxyl_torsion_preference.txt
generic_bonded.round6p.txt
core.scoring.GenericBondedPotential: Added total 0 bond parameters corresponding to 0 unique bonds.
core.scoring.GenericBondedPotential: Added total 0 angle parameters corresponding to 0 unique angles.
core.scoring.GenericBondedPotential: Added total 228 torsion parameters corresponding to 131380 unique torsions.
core.scoring.GenericBondedPotential: Added total 49 improper parameters corresponding to 65 unique impropers.
core.scoring.GenericBondedPotential: Added total 3 special-torsion parameters corresponding to 4 unique torsions.
core.scoring.etable: Starting energy table calculation
rep split to bottom of energy well
core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6)
core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6)
core.scoring.etable: Finished calculating energy tables.
pdb_pair_stats_fine
interchain_env_log.txt
interchain_pair_log.txt
env_log.txt
cbeta_den.txt
pair_log.txt
cenpack_log.txt
core.scoring.ramachandran: shapovalov_lib::shap_rama_smooth_level of 4( aka highest_smooth ) got activated.
all.ramaProb
core.scoring.CartesianBondedEnergy: Initializing IdealParametersDatabase with default Ks=300 , 80 , 20 , 10 , 40
default-lengths.txt
core.scoring.CartesianBondedEnergy: Read 757 bb-independent lengths.
default-angles.txt
core.scoring.CartesianBondedEnergy: Read 1456 bb-independent angles.
default-torsions.txt
core.scoring.CartesianBondedEnergy: Read 1 bb-independent torsions.
default-improper.txt
core.scoring.CartesianBondedEnergy: Read 2197 bb-independent improper tors.
protocols.jd2.parser.ScoreFunctionLoader: defined score function "dens" with weights "beta_cart"
protocols.jd2.parser.ScoreFunctionLoader: setting dens weight elec_dens_fast to 35
protocols.jd2.parser.ScoreFunctionLoader: User defined per-residue sidechain density reweighing:
protocols.jd2.parser.ScoreFunctionLoader: ALA 0.88
protocols.jd2.parser.ScoreFunctionLoader: CYS 0.81
protocols.jd2.parser.ScoreFunctionLoader: ASP 0.76
protocols.jd2.parser.ScoreFunctionLoader: GLU 0.76
protocols.jd2.parser.ScoreFunctionLoader: PHE 0.88
protocols.jd2.parser.ScoreFunctionLoader: GLY 1
protocols.jd2.parser.ScoreFunctionLoader: HIS 0.81
protocols.jd2.parser.ScoreFunctionLoader: ILE 0.88
protocols.jd2.parser.ScoreFunctionLoader: LYS 0.76
protocols.jd2.parser.ScoreFunctionLoader: LEU 0.88
protocols.jd2.parser.ScoreFunctionLoader: MET 0.76
protocols.jd2.parser.ScoreFunctionLoader: ASN 0.81
protocols.jd2.parser.ScoreFunctionLoader: PRO 0.88
protocols.jd2.parser.ScoreFunctionLoader: GLN 0.81
protocols.jd2.parser.ScoreFunctionLoader: ARG 0.76
protocols.jd2.parser.ScoreFunctionLoader: SER 0.81
protocols.jd2.parser.ScoreFunctionLoader: THR 0.81
protocols.jd2.parser.ScoreFunctionLoader: VAL 0.88
protocols.jd2.parser.ScoreFunctionLoader: TRP 0.88
protocols.jd2.parser.ScoreFunctionLoader: TYR 0.88
protocols.electron_density.util: Parsing SetupForDensityScoringMover----
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "setupdens" of type SetupForDensityScoring
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "loaddens" of type LoadDensityMap
default.txt ==================
protocols.relax.FastRelax: repeat 5
protocols.relax.FastRelax: ramp_repack_min 0.02 0.01 1.0
protocols.relax.FastRelax: ramp_repack_min 0.250 0.01 0.5
protocols.relax.FastRelax: ramp_repack_min 0.550 0.01 0.0
protocols.relax.FastRelax: ramp_repack_min 1 0.00001 0.0
protocols.relax.FastRelax: accept_to_best
protocols.relax.FastRelax: endrepeat
default.txt ==================
protocols.relax.FastRelax: repeat 2
protocols.relax.FastRelax: ramp_repack_min 0.02 0.01 1.0
protocols.relax.FastRelax: ramp_repack_min 0.250 0.01 0.5
protocols.relax.FastRelax: ramp_repack_min 0.550 0.01 0.0
protocols.relax.FastRelax: ramp_repack_min 1 0.00001 0.0
protocols.relax.FastRelax: accept_to_best
protocols.relax.FastRelax: endrepeat
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "relaxcart" of type FastRelax
protocols.rosetta_scripts.ParsedProtocol: ParsedProtocol mover with the following movers and filters
protocols.rosetta_scripts.ParsedProtocol: added mover "setupdens" with filter "true_filter"
protocols.rosetta_scripts.ParsedProtocol: added mover "loaddens" with filter "true_filter"
protocols.rosetta_scripts.ParsedProtocol: added mover "relaxcart" with filter "true_filter"
protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job
protocols.jd2.PDBJobInputter: filling pose from saved copy input.pdb
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER SetupForDensityScoring - setupdens=======================
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: [ WARNING ] No density map specified
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: [ WARNING ] No density map specified
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER LoadDensityMap - loaddens=======================
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: Loading density mapMAP.mrc
core.scoring.electron_density.ElectronDensity: Setting resolution to 3.43A
core.scoring.electron_density.ElectronDensity: atom mask to 3.2A
core.scoring.electron_density.ElectronDensity: CA mask to 6A
core.scoring.electron_density.ElectronDensity: Read density map'MAP.mrc'
core.scoring.electron_density.ElectronDensity: extent: 332 x 332 x 332
core.scoring.electron_density.ElectronDensity: origin: 0 x 0 x 0
core.scoring.electron_density.ElectronDensity: altorigin: 0 x 0 x 0
core.scoring.electron_density.ElectronDensity: grid: 332 x 332 x 332
core.scoring.electron_density.ElectronDensity: celldim: 332 x 332 x 332
core.scoring.electron_density.ElectronDensity: cellangles: 90 x 90 x 90
core.scoring.electron_density.ElectronDensity: voxel vol.: 1
core.scoring.electron_density.ElectronDensity: Effective resolution = 3.43
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER FastRelax - relaxcart=======================
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (521)
core.scoring.GenericBondedEnergy: Creating new peptide-bonded energy container (521)
elec_cp_reps.dat
core.scoring.elec.util: Read 40 countpair representative atoms
core.scoring.electron_density.ElectronDensity: Setting [kmin_,kmax_] to [0.062821,1.90674]
18.845 sum=(0,0)
core.pack.dunbrack.RotamerLibrary: shapovalov_lib_fixes_enable option is true.
Dunbrack10.lib.bin
Dunbrack10.lib.bin'.
core.pack.dunbrack.RotamerLibrary: Dunbrack 2010 library took 0.26 seconds to load from binary
core.scoring.CartesianBondedEnergy: Adding undefined angle VRT: X,ORIG,Y to DB with theta0 = 1.5708 , Ktheta = 80
core.scoring.CartesianBondedEnergy: Adding undefined length VRT: ORIG,X, to DB with d0 = 1 , Kd = 300
core.scoring.CartesianBondedEnergy: Adding undefined length VRT: ORIG,Y, to DB with d0 = 1 , Kd = 300
protocols.relax.FastRelax: CMD: repeat 20071.8 0 0 0.55
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 8698 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 7456872 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min 1011.8 0.914788 0.914788 0.011
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 8988 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 7532976 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min 497.36 1.48549 1.48549 0.1375
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 8876 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 7457748 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min 289.673 2.05543 2.05543 0.3025
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 8734 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 7317188 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min 163.963 2.30531 2.30531 0.55
protocols.relax.FastRelax: MRP: 0 163.963 163.963 2.30531 2.30531
protocols.relax.FastRelax: CMD: accept_to_best 163.963 2.30531 2.30531 0.55
protocols.relax.FastRelax: CMD: endrepeat 163.963 2.30531 2.30531 0.55
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 9586 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 8625208 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -412.767 2.59829 2.59829 0.011
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 8934 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 7746644 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -290.652 2.78651 2.78651 0.1375
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 8832 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 7650216 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -297.332 3.12559 3.12559 0.3025
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 8759 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 7522584 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -292.915 3.45526 3.45526 0.55
protocols.relax.FastRelax: MRP: 1 -292.915 -292.915 3.45526 3.45526
protocols.relax.FastRelax: CMD: accept_to_best -292.915 3.45526 3.45526 0.55
protocols.relax.FastRelax: CMD: endrepeat -292.915 3.45526 3.45526 0.55
protocols::checkpoint: Deleting checkpoints of FastRelax
protocols.rosetta_scripts.ParsedProtocol: setting status to success
protocols.jd2.JobDistributor: input_relax_0001 reported success in 568 seconds
protocols.jd2.JobDistributor: no more batches to process...
protocols.jd2.JobDistributor: 1 jobs considered, 1 jobs attempted in 569 seconds

chain_C
align structure to input map
rank_004_alphafold2_ptm_model_5_seed_000_s2
flags
core.init.score_function_corrections: [ WARNING ] Flag -beta_nov16 is set but -weights are also specified. Not changing input weights file!
www.rosettacommons.org 2018-08-14T02:36:37.119534
-in::file::s input.pdb -parser::protocol B_relax_density.xml -ignore_unrecognized_res -edensity::mapreso 3.43 -edensity::cryoem_scatterers -crystal_refine -beta -out::suffix _relax -default_max_cycles 200
urandom', seed=640456623 seed_offset=0 real_seed=640456623
core.init.random: RandomGenerator:init: Normal mode, seed=640456623 RG_type=mt19937
protocols.jd2.PDBJobInputter: Instantiate PDBJobInputter
protocols.jd2.PDBJobInputter: PDBJobInputter::fill_jobs
protocols.jd2.PDBJobInputter: pushed input.pdb nstruct index 1
protocols.evaluation.ChiWellRmsdEvaluatorCreator: Evaluation Creator active ...
protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job
protocols.jd2.PDBJobInputter: filling pose from PDB input.pdb
core.chemical.GlobalResidueTypeSet: Finished initializing fa_standard residue type set. Created 617 residue types
core.chemical.GlobalResidueTypeSet: Total time to initialize 1.32 seconds.
core.import_pose.import_pose: File 'input.pdb' automatically determined to be of type PDB
protocols.rosetta_scripts.RosettaScriptsParser: dock_design_filename=B_relax_density.xml
protocols.rosetta_scripts.RosettaScriptsParser: Generating XML Schema for rosetta_scripts...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Initializing schema validator...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Validating input script...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Parsed script:
<ROSETTASCRIPTS>
<SCOREFXNS>
<ScoreFunction name="dens" weights="beta_cart">
>
>
ScoreFunction>
SCOREFXNS>
<MOVERS>
>
>
>
MOVERS>
<PROTOCOLS>
>
>
>
PROTOCOLS>
>
ROSETTASCRIPTS>
core.scoring.ScoreFunctionFactory: SCOREFUNCTION: beta_genpot.wts
core.scoring.etable: Starting energy table calculation
rep split to bottom of energy well
core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6)
core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6)
core.scoring.etable: Finished calculating energy tables.
HBPoly1D.csv
HBFadeIntervals.csv
HBEval.csv
DonStrength.csv
AccStrength.csv
all.ramaProb
prepro.ramaProb
omega_ppdep.all.txt
omega_ppdep.gly.txt
omega_ppdep.pro.txt
omega_ppdep.valile.txt
P_AA
P_AA_n
core.scoring.P_AA: shapovalov_lib::shap_p_aa_pp_smooth_level of 1( aka low_smooth ) got activated.
a20.prop
hydroxyl_torsion_preference.txt
generic_bonded.round6p.txt
core.scoring.GenericBondedPotential: Added total 0 bond parameters corresponding to 0 unique bonds.
core.scoring.GenericBondedPotential: Added total 0 angle parameters corresponding to 0 unique angles.
core.scoring.GenericBondedPotential: Added total 228 torsion parameters corresponding to 131380 unique torsions.
core.scoring.GenericBondedPotential: Added total 49 improper parameters corresponding to 65 unique impropers.
core.scoring.GenericBondedPotential: Added total 3 special-torsion parameters corresponding to 4 unique torsions.
core.scoring.etable: Starting energy table calculation
rep split to bottom of energy well
core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6)
core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6)
core.scoring.etable: Finished calculating energy tables.
pdb_pair_stats_fine
interchain_env_log.txt
interchain_pair_log.txt
env_log.txt
cbeta_den.txt
pair_log.txt
cenpack_log.txt
core.scoring.ramachandran: shapovalov_lib::shap_rama_smooth_level of 4( aka highest_smooth ) got activated.
all.ramaProb
core.scoring.CartesianBondedEnergy: Initializing IdealParametersDatabase with default Ks=300 , 80 , 20 , 10 , 40
default-lengths.txt
core.scoring.CartesianBondedEnergy: Read 757 bb-independent lengths.
default-angles.txt
core.scoring.CartesianBondedEnergy: Read 1456 bb-independent angles.
default-torsions.txt
core.scoring.CartesianBondedEnergy: Read 1 bb-independent torsions.
default-improper.txt
core.scoring.CartesianBondedEnergy: Read 2197 bb-independent improper tors.
protocols.jd2.parser.ScoreFunctionLoader: defined score function "dens" with weights "beta_cart"
protocols.jd2.parser.ScoreFunctionLoader: setting dens weight elec_dens_fast to 35
protocols.jd2.parser.ScoreFunctionLoader: User defined per-residue sidechain density reweighing:
protocols.jd2.parser.ScoreFunctionLoader: ALA 0.88
protocols.jd2.parser.ScoreFunctionLoader: CYS 0.81
protocols.jd2.parser.ScoreFunctionLoader: ASP 0.76
protocols.jd2.parser.ScoreFunctionLoader: GLU 0.76
protocols.jd2.parser.ScoreFunctionLoader: PHE 0.88
protocols.jd2.parser.ScoreFunctionLoader: GLY 1
protocols.jd2.parser.ScoreFunctionLoader: HIS 0.81
protocols.jd2.parser.ScoreFunctionLoader: ILE 0.88
protocols.jd2.parser.ScoreFunctionLoader: LYS 0.76
protocols.jd2.parser.ScoreFunctionLoader: LEU 0.88
protocols.jd2.parser.ScoreFunctionLoader: MET 0.76
protocols.jd2.parser.ScoreFunctionLoader: ASN 0.81
protocols.jd2.parser.ScoreFunctionLoader: PRO 0.88
protocols.jd2.parser.ScoreFunctionLoader: GLN 0.81
protocols.jd2.parser.ScoreFunctionLoader: ARG 0.76
protocols.jd2.parser.ScoreFunctionLoader: SER 0.81
protocols.jd2.parser.ScoreFunctionLoader: THR 0.81
protocols.jd2.parser.ScoreFunctionLoader: VAL 0.88
protocols.jd2.parser.ScoreFunctionLoader: TRP 0.88
protocols.jd2.parser.ScoreFunctionLoader: TYR 0.88
protocols.electron_density.util: Parsing SetupForDensityScoringMover----
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "setupdens" of type SetupForDensityScoring
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "loaddens" of type LoadDensityMap
default.txt ==================
protocols.relax.FastRelax: repeat 5
protocols.relax.FastRelax: ramp_repack_min 0.02 0.01 1.0
protocols.relax.FastRelax: ramp_repack_min 0.250 0.01 0.5
protocols.relax.FastRelax: ramp_repack_min 0.550 0.01 0.0
protocols.relax.FastRelax: ramp_repack_min 1 0.00001 0.0
protocols.relax.FastRelax: accept_to_best
protocols.relax.FastRelax: endrepeat
default.txt ==================
protocols.relax.FastRelax: repeat 2
protocols.relax.FastRelax: ramp_repack_min 0.02 0.01 1.0
protocols.relax.FastRelax: ramp_repack_min 0.250 0.01 0.5
protocols.relax.FastRelax: ramp_repack_min 0.550 0.01 0.0
protocols.relax.FastRelax: ramp_repack_min 1 0.00001 0.0
protocols.relax.FastRelax: accept_to_best
protocols.relax.FastRelax: endrepeat
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "relaxcart" of type FastRelax
protocols.rosetta_scripts.ParsedProtocol: ParsedProtocol mover with the following movers and filters
protocols.rosetta_scripts.ParsedProtocol: added mover "setupdens" with filter "true_filter"
protocols.rosetta_scripts.ParsedProtocol: added mover "loaddens" with filter "true_filter"
protocols.rosetta_scripts.ParsedProtocol: added mover "relaxcart" with filter "true_filter"
protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job
protocols.jd2.PDBJobInputter: filling pose from saved copy input.pdb
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER SetupForDensityScoring - setupdens=======================
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: [ WARNING ] No density map specified
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: [ WARNING ] No density map specified
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER LoadDensityMap - loaddens=======================
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: Loading density mapMAP.mrc
core.scoring.electron_density.ElectronDensity: Setting resolution to 3.43A
core.scoring.electron_density.ElectronDensity: atom mask to 3.2A
core.scoring.electron_density.ElectronDensity: CA mask to 6A
core.scoring.electron_density.ElectronDensity: Read density map'MAP.mrc'
core.scoring.electron_density.ElectronDensity: extent: 332 x 332 x 332
core.scoring.electron_density.ElectronDensity: origin: 0 x 0 x 0
core.scoring.electron_density.ElectronDensity: altorigin: 0 x 0 x 0
core.scoring.electron_density.ElectronDensity: grid: 332 x 332 x 332
core.scoring.electron_density.ElectronDensity: celldim: 332 x 332 x 332
core.scoring.electron_density.ElectronDensity: cellangles: 90 x 90 x 90
core.scoring.electron_density.ElectronDensity: voxel vol.: 1
core.scoring.electron_density.ElectronDensity: Effective resolution = 3.43
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER FastRelax - relaxcart=======================
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (521)
core.scoring.GenericBondedEnergy: Creating new peptide-bonded energy container (521)
elec_cp_reps.dat
core.scoring.elec.util: Read 40 countpair representative atoms
core.scoring.electron_density.ElectronDensity: Setting [kmin_,kmax_] to [0.062821,1.90674]
18.845 sum=(0,0)
core.pack.dunbrack.RotamerLibrary: shapovalov_lib_fixes_enable option is true.
Dunbrack10.lib.bin
Dunbrack10.lib.bin'.
core.pack.dunbrack.RotamerLibrary: Dunbrack 2010 library took 0.27 seconds to load from binary
core.scoring.CartesianBondedEnergy: Adding undefined angle VRT: X,ORIG,Y to DB with theta0 = 1.5708 , Ktheta = 80
core.scoring.CartesianBondedEnergy: Adding undefined length VRT: ORIG,X, to DB with d0 = 1 , Kd = 300
core.scoring.CartesianBondedEnergy: Adding undefined length VRT: ORIG,Y, to DB with d0 = 1 , Kd = 300
protocols.relax.FastRelax: CMD: repeat 17732.3 0 0 0.55
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 8835 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 6325368 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -65.8658 0.888651 0.888651 0.011
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 9561 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 7009428 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -470.173 1.29659 1.29659 0.1375
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 9280 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 6778476 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -581.153 1.63744 1.63744 0.3025
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 9096 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 6632548 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -623.807 1.96742 1.96742 0.55
protocols.relax.FastRelax: MRP: 0 -623.807 -623.807 1.96742 1.96742
protocols.relax.FastRelax: CMD: accept_to_best -623.807 1.96742 1.96742 0.55
protocols.relax.FastRelax: CMD: endrepeat -623.807 1.96742 1.96742 0.55
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 9677 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 7345092 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -1172.03 2.24782 2.24782 0.011
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 9276 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 6874624 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -1033.2 2.39821 2.39821 0.1375
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 9069 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 6671204 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -990.682 2.54978 2.54978 0.3025
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 8965 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 6559472 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -938.769 2.70574 2.70574 0.55
protocols.relax.FastRelax: MRP: 1 -938.769 -938.769 2.70574 2.70574
protocols.relax.FastRelax: CMD: accept_to_best -938.769 2.70574 2.70574 0.55
protocols.relax.FastRelax: CMD: endrepeat -938.769 2.70574 2.70574 0.55
protocols::checkpoint: Deleting checkpoints of FastRelax
protocols.rosetta_scripts.ParsedProtocol: setting status to success
protocols.jd2.JobDistributor: input_relax_0001 reported success in 549 seconds
protocols.jd2.JobDistributor: no more batches to process...
protocols.jd2.JobDistributor: 1 jobs considered, 1 jobs attempted in 549 seconds

chain_C
align structure to input map
rank_005_alphafold2_ptm_model_4_seed_000_s2
flags
core.init.score_function_corrections: [ WARNING ] Flag -beta_nov16 is set but -weights are also specified. Not changing input weights file!
www.rosettacommons.org 2018-08-14T02:36:37.119534
-in::file::s input.pdb -parser::protocol B_relax_density.xml -ignore_unrecognized_res -edensity::mapreso 3.43 -edensity::cryoem_scatterers -crystal_refine -beta -out::suffix _relax -default_max_cycles 200
urandom', seed=1968287792 seed_offset=0 real_seed=1968287792
core.init.random: RandomGenerator:init: Normal mode, seed=1968287792 RG_type=mt19937
protocols.jd2.PDBJobInputter: Instantiate PDBJobInputter
protocols.jd2.PDBJobInputter: PDBJobInputter::fill_jobs
protocols.jd2.PDBJobInputter: pushed input.pdb nstruct index 1
protocols.evaluation.ChiWellRmsdEvaluatorCreator: Evaluation Creator active ...
protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job
protocols.jd2.PDBJobInputter: filling pose from PDB input.pdb
core.chemical.GlobalResidueTypeSet: Finished initializing fa_standard residue type set. Created 617 residue types
core.chemical.GlobalResidueTypeSet: Total time to initialize 1.31 seconds.
core.import_pose.import_pose: File 'input.pdb' automatically determined to be of type PDB
protocols.rosetta_scripts.RosettaScriptsParser: dock_design_filename=B_relax_density.xml
protocols.rosetta_scripts.RosettaScriptsParser: Generating XML Schema for rosetta_scripts...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Initializing schema validator...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Validating input script...
protocols.rosetta_scripts.RosettaScriptsParser: ...done
protocols.rosetta_scripts.RosettaScriptsParser: Parsed script:
<ROSETTASCRIPTS>
<SCOREFXNS>
<ScoreFunction name="dens" weights="beta_cart">
>
>
ScoreFunction>
SCOREFXNS>
<MOVERS>
>
>
>
MOVERS>
<PROTOCOLS>
>
>
>
PROTOCOLS>
>
ROSETTASCRIPTS>
core.scoring.ScoreFunctionFactory: SCOREFUNCTION: beta_genpot.wts
core.scoring.etable: Starting energy table calculation
rep split to bottom of energy well
core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6)
core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6)
core.scoring.etable: Finished calculating energy tables.
HBPoly1D.csv
HBFadeIntervals.csv
HBEval.csv
DonStrength.csv
AccStrength.csv
all.ramaProb
prepro.ramaProb
omega_ppdep.all.txt
omega_ppdep.gly.txt
omega_ppdep.pro.txt
omega_ppdep.valile.txt
P_AA
P_AA_n
core.scoring.P_AA: shapovalov_lib::shap_p_aa_pp_smooth_level of 1( aka low_smooth ) got activated.
a20.prop
hydroxyl_torsion_preference.txt
generic_bonded.round6p.txt
core.scoring.GenericBondedPotential: Added total 0 bond parameters corresponding to 0 unique bonds.
core.scoring.GenericBondedPotential: Added total 0 angle parameters corresponding to 0 unique angles.
core.scoring.GenericBondedPotential: Added total 228 torsion parameters corresponding to 131380 unique torsions.
core.scoring.GenericBondedPotential: Added total 49 improper parameters corresponding to 65 unique impropers.
core.scoring.GenericBondedPotential: Added total 3 special-torsion parameters corresponding to 4 unique torsions.
core.scoring.etable: Starting energy table calculation
rep split to bottom of energy well
core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6)
core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6)
core.scoring.etable: Finished calculating energy tables.
pdb_pair_stats_fine
interchain_env_log.txt
interchain_pair_log.txt
env_log.txt
cbeta_den.txt
pair_log.txt
cenpack_log.txt
core.scoring.ramachandran: shapovalov_lib::shap_rama_smooth_level of 4( aka highest_smooth ) got activated.
all.ramaProb
core.scoring.CartesianBondedEnergy: Initializing IdealParametersDatabase with default Ks=300 , 80 , 20 , 10 , 40
default-lengths.txt
core.scoring.CartesianBondedEnergy: Read 757 bb-independent lengths.
default-angles.txt
core.scoring.CartesianBondedEnergy: Read 1456 bb-independent angles.
default-torsions.txt
core.scoring.CartesianBondedEnergy: Read 1 bb-independent torsions.
default-improper.txt
core.scoring.CartesianBondedEnergy: Read 2197 bb-independent improper tors.
protocols.jd2.parser.ScoreFunctionLoader: defined score function "dens" with weights "beta_cart"
protocols.jd2.parser.ScoreFunctionLoader: setting dens weight elec_dens_fast to 35
protocols.jd2.parser.ScoreFunctionLoader: User defined per-residue sidechain density reweighing:
protocols.jd2.parser.ScoreFunctionLoader: ALA 0.88
protocols.jd2.parser.ScoreFunctionLoader: CYS 0.81
protocols.jd2.parser.ScoreFunctionLoader: ASP 0.76
protocols.jd2.parser.ScoreFunctionLoader: GLU 0.76
protocols.jd2.parser.ScoreFunctionLoader: PHE 0.88
protocols.jd2.parser.ScoreFunctionLoader: GLY 1
protocols.jd2.parser.ScoreFunctionLoader: HIS 0.81
protocols.jd2.parser.ScoreFunctionLoader: ILE 0.88
protocols.jd2.parser.ScoreFunctionLoader: LYS 0.76
protocols.jd2.parser.ScoreFunctionLoader: LEU 0.88
protocols.jd2.parser.ScoreFunctionLoader: MET 0.76
protocols.jd2.parser.ScoreFunctionLoader: ASN 0.81
protocols.jd2.parser.ScoreFunctionLoader: PRO 0.88
protocols.jd2.parser.ScoreFunctionLoader: GLN 0.81
protocols.jd2.parser.ScoreFunctionLoader: ARG 0.76
protocols.jd2.parser.ScoreFunctionLoader: SER 0.81
protocols.jd2.parser.ScoreFunctionLoader: THR 0.81
protocols.jd2.parser.ScoreFunctionLoader: VAL 0.88
protocols.jd2.parser.ScoreFunctionLoader: TRP 0.88
protocols.jd2.parser.ScoreFunctionLoader: TYR 0.88
protocols.electron_density.util: Parsing SetupForDensityScoringMover----
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "setupdens" of type SetupForDensityScoring
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "loaddens" of type LoadDensityMap
default.txt ==================
protocols.relax.FastRelax: repeat 5
protocols.relax.FastRelax: ramp_repack_min 0.02 0.01 1.0
protocols.relax.FastRelax: ramp_repack_min 0.250 0.01 0.5
protocols.relax.FastRelax: ramp_repack_min 0.550 0.01 0.0
protocols.relax.FastRelax: ramp_repack_min 1 0.00001 0.0
protocols.relax.FastRelax: accept_to_best
protocols.relax.FastRelax: endrepeat
default.txt ==================
protocols.relax.FastRelax: repeat 2
protocols.relax.FastRelax: ramp_repack_min 0.02 0.01 1.0
protocols.relax.FastRelax: ramp_repack_min 0.250 0.01 0.5
protocols.relax.FastRelax: ramp_repack_min 0.550 0.01 0.0
protocols.relax.FastRelax: ramp_repack_min 1 0.00001 0.0
protocols.relax.FastRelax: accept_to_best
protocols.relax.FastRelax: endrepeat
protocols.rosetta_scripts.RosettaScriptsParser: Defined mover named "relaxcart" of type FastRelax
protocols.rosetta_scripts.ParsedProtocol: ParsedProtocol mover with the following movers and filters
protocols.rosetta_scripts.ParsedProtocol: added mover "setupdens" with filter "true_filter"
protocols.rosetta_scripts.ParsedProtocol: added mover "loaddens" with filter "true_filter"
protocols.rosetta_scripts.ParsedProtocol: added mover "relaxcart" with filter "true_filter"
protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job
protocols.jd2.PDBJobInputter: filling pose from saved copy input.pdb
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER SetupForDensityScoring - setupdens=======================
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: [ WARNING ] No density map specified
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: [ WARNING ] No density map specified
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER LoadDensityMap - loaddens=======================
core.scoring.electron_density.ElectronDensity: Loading Density Map
core.scoring.electron_density.ElectronDensity: Loading density mapMAP.mrc
core.scoring.electron_density.ElectronDensity: Setting resolution to 3.43A
core.scoring.electron_density.ElectronDensity: atom mask to 3.2A
core.scoring.electron_density.ElectronDensity: CA mask to 6A
core.scoring.electron_density.ElectronDensity: Read density map'MAP.mrc'
core.scoring.electron_density.ElectronDensity: extent: 332 x 332 x 332
core.scoring.electron_density.ElectronDensity: origin: 0 x 0 x 0
core.scoring.electron_density.ElectronDensity: altorigin: 0 x 0 x 0
core.scoring.electron_density.ElectronDensity: grid: 332 x 332 x 332
core.scoring.electron_density.ElectronDensity: celldim: 332 x 332 x 332
core.scoring.electron_density.ElectronDensity: cellangles: 90 x 90 x 90
core.scoring.electron_density.ElectronDensity: voxel vol.: 1
core.scoring.electron_density.ElectronDensity: Effective resolution = 3.43
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER FastRelax - relaxcart=======================
core.scoring.CartesianBondedEnergy: Creating new peptide-bonded energy container (521)
core.scoring.GenericBondedEnergy: Creating new peptide-bonded energy container (521)
elec_cp_reps.dat
core.scoring.elec.util: Read 40 countpair representative atoms
core.scoring.electron_density.ElectronDensity: Setting [kmin_,kmax_] to [0.062821,1.90674]
18.845 sum=(0,0)
core.pack.dunbrack.RotamerLibrary: shapovalov_lib_fixes_enable option is true.
Dunbrack10.lib.bin
Dunbrack10.lib.bin'.
core.pack.dunbrack.RotamerLibrary: Dunbrack 2010 library took 0.26 seconds to load from binary
core.scoring.CartesianBondedEnergy: Adding undefined angle VRT: X,ORIG,Y to DB with theta0 = 1.5708 , Ktheta = 80
core.scoring.CartesianBondedEnergy: Adding undefined length VRT: ORIG,X, to DB with d0 = 1 , Kd = 300
core.scoring.CartesianBondedEnergy: Adding undefined length VRT: ORIG,Y, to DB with d0 = 1 , Kd = 300
protocols.relax.FastRelax: CMD: repeat 21129.2 0 0 0.55
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 8731 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 7043152 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min 1445.54 0.852562 0.852562 0.011
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 8995 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 7199892 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min 823.456 1.40291 1.40291 0.1375
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 8839 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 7168120 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min 600.31 1.84771 1.84771 0.3025
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 8540 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 6881880 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min 498.291 2.13571 2.13571 0.55
protocols.relax.FastRelax: MRP: 0 498.291 498.291 2.13571 2.13571
protocols.relax.FastRelax: CMD: accept_to_best 498.291 2.13571 2.13571 0.55
protocols.relax.FastRelax: CMD: endrepeat 498.291 2.13571 2.13571 0.55
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 9523 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 8213988 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min -15.2611 2.35749 2.35749 0.011
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 8921 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 7494844 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min 129.912 2.49873 2.49873 0.1375
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 8888 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 7435268 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min 166.127 2.71374 2.71374 0.3025
core.pack.task: Packer task: initialize from command line()
core.pack.pack_rotamers: built 8687 rotamers at 521 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 7232452 bytes
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: ramp_repack_min 210.1 2.89026 2.89026 0.55
protocols.relax.FastRelax: MRP: 1 210.1 210.1 2.89026 2.89026
protocols.relax.FastRelax: CMD: accept_to_best 210.1 2.89026 2.89026 0.55
protocols.relax.FastRelax: CMD: endrepeat 210.1 2.89026 2.89026 0.55
protocols::checkpoint: Deleting checkpoints of FastRelax
protocols.rosetta_scripts.ParsedProtocol: setting status to success
protocols.jd2.JobDistributor: input_relax_0001 reported success in 562 seconds
protocols.jd2.JobDistributor: no more batches to process...
protocols.jd2.JobDistributor: 1 jobs considered, 1 jobs attempted in 562 seconds

Align structures finished.
====================================================================Modeling finished====================================================================
Selected strategy mode: strategy 2
Input query sequence: MSESGHSQPGLYGIERRRRWKEPGSGGPQNLSGPGGRERDYIAPWERERRDASEETSTSVMQKTPIILSKPPAERSKQPPPPTAPAAPPAPAPLEKPIVLMKPREEGKGPVAVTGASTPEGTAPPPPAAPAPPKGEKEGQRPTQPVYQIQNRGMGTAAPAAMDPVVGQAKLLPPERMKHSIKLVDDQMNWCDSAIEYLLDQTDVLVVGVLGLQGTGKSMVMSLLSANTPEEDQRTYVFRAQSAEMKERGGNQTSGIDFFITQERIVFLDTQPILSPSILDHLINNDRKLPPEYNLPHTYVEMQSLQIAAFLFTVCHVVIVVQDWFTDLSLYRFLQTAEMVKPSTPSPSHESSSSSGSDEGTEYYPHLVFLQNKARREDFCPRKLRQMHLMIDQLMAHSHLRYKGTLSMLQCNVFPGLPPDFLDSEVNLFLVPFMDSEAESENPPRAGPGSSPLFSLLPGYRGHPSFQSLVSKLRSQVMSMARPQLSHTILTEKNWFHYAARIWDGVRKSSALAEYSRLLA
Job ID: e0e7fb1328087680d8822673aae46917_8c349
Number of models to use: 0
Template mode: custom
DAQ
====================================================================Modeling finished====================================================================
INFO: DAQ-refine status: 0
INFO: STEP-4 Computer refined DAQ Started
gcc -std=c99 -o DAQscore_colab main.c chkcmdline.o mrc.o readpdb.o thread.o dp.o -lm -O3 -msse4.2 -msse -msse2 -msse3 -mmmx -ftree-vectorize -ftree-vectorizer-verbose=3 -ffast-math -march=native -funroll-loops -fopenmp
rank_005_alphafold2_ptm_model_4_seed_000_s2 existed
Origin: (0., 0., 0.)
Previous voxel size: 1.0
----------------------------------------------------------------------------------------------------
resizing finished!
----------------------------------------------------------------------------------------------------
Finished processing model input!
0 batch processing time 1.197476
1 batch processing time 1.221663
2 batch processing time 1.179623
3 batch processing time 1.187230
4 batch processing time 1.165829
5 batch processing time 1.229900
6 batch processing time 1.173924
7 batch processing time 1.214128
8 batch processing time 1.215709
9 batch processing time 1.146609
10 batch processing time 1.043655
11 batch processing time 1.234261
12 batch processing time 1.238398
13 batch processing time 1.242411
14 batch processing time 1.245466
15 batch processing time 1.166338
16 batch processing time 1.257861
17 batch processing time 1.211001
18 batch processing time 1.192075
19 batch processing time 1.237611
20 batch processing time 1.178836
21 batch processing time 1.199191
22 batch processing time 1.207951
23 batch processing time 0.980787
24 batch processing time 1.161855
25 batch processing time 1.204010
26 batch processing time 1.163667
27 batch processing time 1.169090
28 batch processing time 1.193945
prediction.txt, please have a check!
exe_path
daq_raw_score.pdb
total different chains: {'A'}
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[['A', ' N ', 211.879, 225.523, 170.926], ['A', ' CA ', 213.329, 225.418, 170.845], ['A', ' C ', 213.732, 224.237, 169.987], ['A', ' O ', 214.049, 223.165, 170.499], ['A', ' CB ', 213.921, 225.296, 172.237], ['A', ' CG ', 213.697, 226.521, 173.094], ['A', ' SD ', 214.354, 226.361, 174.76], ['A', ' CE ', 216.13, 226.47, 174.498], ['A', ' H ', 211.315, 224.814, 170.477], ['A', ' HA ', 213.719, 226.318, 170.371], ['A', '1HB ', 213.482, 224.44, 172.746], ['A', '2HB ', 214.987, 225.115, 172.15], ['A', '1HG ', 214.164, 227.381, 172.619], ['A', '2HG ', 212.626, 226.713, 173.161], ['A', '1HE ', 216.642, 226.392, 175.457], ['A', '2HE ', 216.463, 225.661, 173.852], ['A', '3HE ', 216.374, 227.428, 174.036]]
[['A', ' N ', 213.71, 224.439, 168.68], ['A', ' CA ', 214.019, 223.388, 167.723], ['A', ' C ', 214.518, 223.946, 166.401], ['A', ' O ', 213.768, 224.806, 165.92], ['A', ' CB ', 212.812, 222.526, 167.494], ['A', ' OG ', 213.117, 221.467, 166.66], ['A', ' H ', 213.439, 225.35, 168.332], ['A', ' HA ', 214.823, 222.765, 168.138], ['A', '1HB ', 212.443, 222.149, 168.446], ['A', '2HB ', 212.021, 223.126, 167.048], ['A', ' HG ', 212.307, 220.967, 166.556]]
[['A', ' N ', 215.82, 224.21, 166.413], ['A', ' CA ', 216.502, 223.984, 165.14], ['A', ' C ', 216.283, 222.534, 164.729], ['A', ' O ', 216.515, 221.633, 165.534], ['A', ' CB ', 217.993, 224.286, 165.291], ['A', ' CG ', 218.805, 224.188, 164.018], ['A', ' CD ', 220.254, 224.532, 164.229], ['A', ' OE1', 220.619, 224.85, 165.336], ['A', ' OE2', 220.996, 224.477, 163.283], ['A', ' H ', 216.073, 225.084, 166.839], ['A', ' HA ', 216.07, 224.636, 164.38], ['A', '1HB ', 218.12, 225.291, 165.692], ['A', '2HB ', 218.427, 223.591, 166.01], ['A', '1HG ', 218.744, 223.169, 163.632], ['A', '2HG ', 218.38, 224.856, 163.271]]
[['A', ' N ', 215.848, 222.306, 163.48], ['A', ' CA ', 215.566, 220.946, 163.024], ['A', ' C ', 215.217, 220.818, 161.535], ['A', ' O ', 214.125, 220.289, 161.321], ['A', ' CB ', 214.373, 220.358, 163.763], ['A', ' OG ', 213.189, 221.026, 163.408], ['A', ' H ', 215.7, 223.076, 162.853], ['A', ' HA ', 216.441, 220.343, 163.222], ['A', '1HB ', 214.288, 219.297, 163.526], ['A', '2HB ', 214.524, 220.427, 164.827], ['A', ' HG ', 212.977, 220.696, 162.516]]
[['A', ' N ', 215.531, 221.873, 160.788], ['A', ' CA ', 215.871, 221.512, 159.409], ['A', ' C ', 217.111, 220.632, 159.289], ['A', ' O ', 218.107, 220.844, 159.983], ['A', ' H ', 214.848, 222.617, 160.823], ['A', '1HA ', 215.023, 220.995, 158.96], ['A', '2HA ', 216.021, 222.423, 158.834]]
[['A', ' N ', 217.037, 219.654, 158.361], ['A', ' CA ', 218.133, 218.71, 158.126], ['A', ' C ', 218.12, 218.108, 156.702], ['A', ' O ', 217.059, 217.577, 156.405], ['A', ' CB ', 217.989, 217.493, 159.073], ['A', ' CG ', 217.954, 217.773, 160.553], ['A', ' ND1', 219.055, 218.191, 161.259], ['A', ' CD2', 216.952, 217.642, 161.454], ['A', ' CE1', 218.729, 218.312, 162.538], ['A', ' NE2', 217.466, 217.969, 162.686], ['A', ' H ', 216.194, 219.565, 157.819], ['A', ' HA ', 219.085, 219.186, 158.298], ['A', '1HB ', 217.079, 216.952, 158.822], ['A', '2HB ', 218.823, 216.815, 158.889], ['A', ' HD1', 219.769, 218.765, 160.849], ['A', ' HD2', 215.912, 217.331, 161.361], ['A', ' HE1', 219.47, 218.636, 163.269]]
[['A', ' N ', 218.757, 218.869, 155.794], ['A', ' CA ', 219.601, 218.213, 154.769], ['A', ' C ', 219.116, 218.285, 153.307], ['A', ' O ', 217.927, 218.022, 153.148], ['A', ' CB ', 219.826, 216.74, 155.107], ['A', ' OG ', 220.54, 216.582, 156.313], ['A', ' H ', 218.157, 219.576, 155.388], ['A', ' HA ', 220.576, 218.702, 154.803], ['A', '1HB ', 218.874, 216.213, 155.162], ['A', '2HB ', 220.39, 216.28, 154.295], ['A', ' HG ', 220.642, 215.633, 156.434]]
[['A', ' N ', 219.608, 219.354, 152.68], ['A', ' CA ', 220.061, 219.302, 151.275], ['A', ' C ', 219.5, 218.182, 150.36], ['A', ' O ', 220.138, 217.132, 150.266], ['A', ' CB ', 221.585, 219.217, 151.199], ['A', ' CG ', 222.111, 219.319, 149.748], ['A', ' CD ', 221.849, 220.696, 149.149], ['A', ' OE1', 222.435, 221.687, 149.598], ['A', ' NE2', 220.944, 220.783, 148.17], ['A', ' H ', 219.068, 220.188, 152.849], ['A', ' HA ', 219.808, 220.262, 150.84], ['A', '1HB ', 222.027, 220.027, 151.78], ['A', '2HB ', 221.926, 218.276, 151.63], ['A', '1HG ', 223.185, 219.167, 149.769], ['A', '2HG ', 221.657, 218.581, 149.091], ['A', '1HE2', 220.735, 221.672, 147.76], ['A', '2HE2', 220.431, 219.952, 147.837]]
[['A', ' N ', 218.318, 218.312, 149.735], ['A', ' CA ', 217.807, 217.39, 148.722], ['A', ' C ', 218.6, 217.572, 147.42], ['A', ' O ', 219.185, 218.641, 147.209], ['A', ' CB ', 216.345, 217.827, 148.571], ['A', ' CG ', 216.351, 219.302, 148.937], ['A', ' CD ', 217.415, 219.441, 150.035], ['A', ' HA ', 217.884, 216.355, 149.091], ['A', '1HB ', 216.005, 217.645, 147.539], ['A', '2HB ', 215.703, 217.226, 149.232], ['A', '1HG ', 216.588, 219.906, 148.042], ['A', '2HG ', 215.35, 219.616, 149.273], ['A', '1HD ', 217.904, 220.404, 149.895], ['A', '2HD ', 216.977, 219.329, 151.041]]
[['A', ' N ', 218.62, 216.568, 146.524], ['A', ' CA ', 219.308, 216.796, 145.248], ['A', ' C ', 219.21, 215.684, 144.181], ['A', ' O ', 219.037, 214.553, 144.638], ['A', ' H ', 218.161, 215.687, 146.713], ['A', '1HA ', 218.921, 217.718, 144.815], ['A', '2HA ', 220.36, 216.987, 145.454]]
[['A', ' N ', 218.509, 216.101, 143.106], ['A', ' CA ', 219.012, 215.996, 141.714], ['A', ' C ', 219.062, 214.64, 140.981], ['A', ' O ', 219.251, 213.588, 141.581], ['A', ' CB ', 220.459, 216.521, 141.667], ['A', ' CG ', 220.739, 217.991, 142.012], ['A', ' CD1', 222.239, 218.171, 142.058], ['A', ' CD2', 220.135, 218.901, 140.973], ['A', ' H ', 217.525, 215.877, 143.167], ['A', ' HA ', 218.376, 216.635, 141.111], ['A', '1HB ', 221.079, 215.902, 142.311], ['A', '2HB ', 220.811, 216.394, 140.651], ['A', ' HG ', 220.336, 218.236, 142.975], ['A', '1HD1', 222.476, 219.205, 142.306], ['A', '2HD1', 222.662, 217.512, 142.817], ['A', '3HD1', 222.666, 217.925, 141.085], ['A', '1HD2', 220.364, 219.937, 141.225], ['A', '2HD2', 220.555, 218.664, 139.994], ['A', '3HD2', 219.058, 218.778, 140.943]]
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[['A', ' N ', 196.497, 176.37, 119.882], ['A', ' CA ', 196.673, 177.399, 120.91], ['A', ' C ', 197.677, 176.93, 121.954], ['A', ' O ', 198.708, 176.339, 121.615], ['A', ' CB ', 195.344, 177.739, 121.575], ['A', ' OG ', 195.489, 178.818, 122.461], ['A', ' H ', 196.649, 176.615, 118.911], ['A', ' HA ', 197.065, 178.299, 120.432], ['A', '1HB ', 194.617, 177.991, 120.806], ['A', '2HB ', 194.955, 176.88, 122.114], ['A', ' HG ', 194.598, 179.026, 122.774]]
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[['A', ' N ', 199.992, 179.436, 129.019], ['A', ' CA ', 201.3, 179.343, 129.657], ['A', ' C ', 201.176, 178.828, 131.086], ['A', ' O ', 200.083, 178.506, 131.549], ['A', ' H ', 199.434, 180.272, 129.135], ['A', '1HA ', 201.941, 178.676, 129.08], ['A', '2HA ', 201.776, 180.324, 129.656]]
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[['A', ' N ', 119.349, 236.599, 239.448], ['A', ' CA ', 119.388, 235.162, 239.72], ['A', ' C ', 118.689, 234.328, 238.626], ['A', ' O ', 117.529, 234.613, 238.335], ['A', ' CB ', 118.694, 234.928, 241.054], ['A', ' H ', 119.53, 237.149, 240.272], ['A', ' HA ', 120.417, 234.863, 239.824], ['A', '1HB ', 118.715, 233.883, 241.323], ['A', '2HB ', 119.198, 235.504, 241.818], ['A', '3HB ', 117.664, 235.249, 240.98]]
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[['A', ' N ', 122.049, 231.31, 239.652], ['A', ' CA ', 123.053, 230.772, 238.719], ['A', ' C ', 122.448, 230.001, 237.563], ['A', ' O ', 121.402, 229.38, 237.709], ['A', ' CB ', 123.851, 229.818, 239.616], ['A', ' CG ', 123.635, 230.332, 241.015], ['A', ' CD ', 122.222, 230.829, 241.018], ['A', ' HA ', 123.709, 231.574, 238.359], ['A', '1HB ', 123.493, 228.785, 239.477], ['A', '2HB ', 124.912, 229.832, 239.321], ['A', '1HG ', 123.792, 229.522, 241.747], ['A', '2HG ', 124.362, 231.121, 241.261], ['A', '1HD ', 121.512, 230.013, 241.214], ['A', '2HD ', 122.102, 231.658, 241.741]]
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[['A', ' N ', 128.15, 225.44, 233.992], ['A', ' CA ', 129.543, 225.407, 234.352], ['A', ' C ', 129.844, 223.928, 234.745], ['A', ' O ', 129.127, 223.039, 234.278], ['A', ' CB ', 129.726, 226.504, 235.405], ['A', ' CG ', 128.883, 226.269, 236.619], ['A', ' OD1', 128.252, 225.233, 236.675], ['A', ' OD2', 128.838, 227.115, 237.475], ['A', ' H ', 127.528, 224.961, 234.644], ['A', ' HA ', 130.148, 225.66, 233.479], ['A', '1HB ', 130.751, 226.712, 235.651], ['A', '2HB ', 129.347, 227.434, 234.959]]
[['A', ' N ', 130.902, 223.585, 235.519], ['A', ' CA ', 131.931, 224.368, 236.194], ['A', ' C ', 132.938, 225.137, 235.346], ['A', ' O ', 133.489, 226.119, 235.839], ['A', ' CB ', 132.676, 223.278, 236.998], ['A', ' CG ', 132.434, 221.997, 236.248], ['A', ' CD ', 131.047, 222.134, 235.709], ['A', ' HA ', 131.458, 225.03, 236.936], ['A', '1HB ', 133.739, 223.531, 237.089], ['A', '2HB ', 132.279, 223.239, 238.024], ['A', '1HG ', 133.19, 221.866, 235.457], ['A', '2HG ', 132.539, 221.137, 236.927], ['A', '1HD ', 130.951, 221.61, 234.746], ['A', '2HD ', 130.301, 221.775, 236.441]]
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[['A', ' N ', 133.661, 226.962, 231.525], ['A', ' CA ', 134.127, 227.728, 230.343], ['A', ' C ', 133.906, 227.163, 228.932], ['A', ' O ', 134.082, 225.958, 228.796], ['A', ' CB ', 135.627, 228.097, 230.509], ['A', ' CG1', 136.174, 228.809, 229.28], ['A', ' CG2', 135.782, 228.968, 231.755], ['A', ' H ', 132.703, 227.217, 231.729], ['A', ' HA ', 133.587, 228.673, 230.373], ['A', ' HB ', 136.193, 227.221, 230.605], ['A', '1HG1', 137.227, 229.037, 229.446], ['A', '2HG1', 136.093, 228.177, 228.403], ['A', '3HG1', 135.627, 229.737, 229.121], ['A', '1HG2', 136.834, 229.219, 231.904], ['A', '2HG2', 135.207, 229.887, 231.636], ['A', '3HG2', 135.417, 228.429, 232.621]]
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[['A', ' N ', 119.349, 236.599, 239.448], ['A', ' CA ', 119.388, 235.162, 239.72], ['A', ' C ', 118.689, 234.328, 238.626], ['A', ' O ', 117.529, 234.613, 238.335], ['A', ' CB ', 118.694, 234.928, 241.054], ['A', ' H ', 119.53, 237.149, 240.272], ['A', ' HA ', 120.417, 234.863, 239.824], ['A', '1HB ', 118.715, 233.883, 241.323], ['A', '2HB ', 119.198, 235.504, 241.818], ['A', '3HB ', 117.664, 235.249, 240.98]]
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[['A', ' N ', 156.365, 193.808, 182.318], ['A', ' CA ', 157.154, 192.881, 183.124], ['A', ' C ', 157.603, 191.727, 182.273], ['A', ' O ', 158.07, 190.718, 182.801], ['A', ' CB ', 156.411, 192.293, 184.348], ['A', ' CG ', 156.039, 193.248, 185.513], ['A', ' CD ', 155.432, 192.43, 186.727], ['A', ' CE ', 155.101, 193.317, 187.94], ['A', ' NZ ', 154.506, 192.535, 189.075], ['A', ' H ', 155.38, 193.571, 182.15], ['A', ' HA ', 158.048, 193.391, 183.48], ['A', '1HB ', 155.48, 191.843, 183.999], ['A', '2HB ', 157.012, 191.491, 184.776], ['A', '1HG ', 156.93, 193.781, 185.841], ['A', '2HG ', 155.306, 193.977, 185.158], ['A', '1HD ', 154.519, 191.927, 186.396], ['A', '2HD ', 156.149, 191.67, 187.035], ['A', '1HE ', 156.016, 193.796, 188.284], ['A', '2HE ', 154.392, 194.088, 187.634], ['A', '1HZ ', 154.308, 193.158, 189.847], ['A', '2HZ ', 153.645, 192.098, 188.767], ['A', '3HZ ', 155.157, 191.824, 189.376]]
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[['A', ' N ', 161.802, 191.663, 178.462], ['A', ' CA ', 162.217, 193.023, 178.715], ['A', ' C ', 163.351, 192.988, 179.692], ['A', ' O ', 164.305, 193.746, 179.577], ['A', ' CB ', 161.098, 193.864, 179.295], ['A', ' CG ', 161.432, 195.32, 179.499], ['A', ' CD1', 161.771, 195.992, 178.172], ['A', ' CD2', 160.295, 195.955, 180.15], ['A', ' H ', 160.981, 191.34, 178.964], ['A', ' HA ', 162.559, 193.439, 177.779], ['A', '1HB ', 160.232, 193.8, 178.637], ['A', '2HB ', 160.813, 193.459, 180.264], ['A', ' HG ', 162.3, 195.418, 180.152], ['A', '1HD1', 161.991, 197.045, 178.358], ['A', '2HD1', 162.638, 195.55, 177.703], ['A', '3HD1', 160.916, 195.916, 177.5], ['A', '1HD2', 160.515, 196.998, 180.326], ['A', '2HD2', 159.397, 195.867, 179.536], ['A', '3HD2', 160.152, 195.456, 181.087]]
[['A', ' N ', 163.246, 192.118, 180.694], ['A', ' CA ', 164.35, 192.001, 181.631], ['A', ' C ', 165.589, 191.506, 180.875], ['A', ' O ', 166.702, 191.989, 181.123], ['A', ' CB ', 164.002, 191.062, 182.765], ['A', ' H ', 162.38, 191.574, 180.784], ['A', ' HA ', 164.567, 192.988, 182.038], ['A', '1HB ', 164.843, 190.993, 183.456], ['A', '2HB ', 163.126, 191.439, 183.291], ['A', '3HB ', 163.784, 190.074, 182.355]]
[['A', ' N ', 165.392, 190.591, 179.907], ['A', ' CA ', 166.504, 190.098, 179.125], ['A', ' C ', 167.103, 191.224, 178.297], ['A', ' O ', 168.315, 191.45, 178.334], ['A', ' CB ', 166.05, 188.965, 178.195], ['A', ' CG ', 167.169, 188.322, 177.348], ['A', ' CD ', 166.673, 187.235, 176.398], ['A', ' OE1', 165.515, 186.885, 176.436], ['A', ' OE2', 167.466, 186.759, 175.64], ['A', ' H ', 164.458, 190.195, 179.762], ['A', ' HA ', 167.268, 189.717, 179.802], ['A', '1HB ', 165.578, 188.184, 178.788], ['A', '2HB ', 165.302, 189.343, 177.506], ['A', '1HG ', 167.659, 189.096, 176.759], ['A', '2HG ', 167.912, 187.902, 178.021]]
[['A', ' N ', 166.271, 191.98, 177.582], ['A', ' CA ', 166.811, 193.047, 176.761], ['A', ' C ', 167.439, 194.134, 177.576], ['A', ' O ', 168.483, 194.636, 177.182], ['A', ' CB ', 165.804, 193.661, 175.822], ['A', ' CG ', 166.436, 194.743, 174.919], ['A', ' CD1', 167.292, 194.371, 173.882], ['A', ' CD2', 166.153, 196.095, 175.102], ['A', ' CE1', 167.856, 195.336, 173.04], ['A', ' CE2', 166.723, 197.058, 174.24], ['A', ' CZ ', 167.576, 196.671, 173.217], ['A', ' OH ', 168.141, 197.607, 172.366], ['A', ' H ', 165.267, 191.776, 177.568], ['A', ' HA ', 167.596, 192.614, 176.146], ['A', '1HB ', 165.377, 192.884, 175.183], ['A', '2HB ', 164.988, 194.107, 176.394], ['A', ' HD1', 167.526, 193.317, 173.722], ['A', ' HD2', 165.484, 196.409, 175.904], ['A', ' HE1', 168.515, 195.031, 172.234], ['A', ' HE2', 166.494, 198.112, 174.379], ['A', ' HH ', 167.865, 198.49, 172.627]]
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[['A', ' N ', 168.821, 194.185, 180.609], ['A', ' CA ', 170.135, 193.894, 181.124], ['A', ' C ', 171.175, 193.803, 179.974], ['A', ' O ', 172.314, 194.236, 180.154], ['A', ' CB ', 170.108, 192.66, 182.0], ['A', ' CG ', 169.38, 192.88, 183.34], ['A', ' CD ', 169.358, 191.661, 184.176], ['A', ' NE ', 168.713, 191.897, 185.451], ['A', ' CZ ', 168.467, 190.955, 186.379], ['A', ' NH1', 168.817, 189.709, 186.159], ['A', ' NH2', 167.87, 191.285, 187.515], ['A', ' H ', 168.079, 193.47, 180.638], ['A', ' HA ', 170.431, 194.724, 181.771], ['A', '1HB ', 169.586, 191.86, 181.468], ['A', '2HB ', 171.121, 192.322, 182.205], ['A', '1HG ', 169.871, 193.679, 183.892], ['A', '2HG ', 168.347, 193.164, 183.129], ['A', '1HD ', 168.808, 190.883, 183.643], ['A', '2HD ', 170.381, 191.331, 184.36], ['A', ' HE ', 168.424, 192.846, 185.656], ['A', '1HH1', 169.271, 189.453, 185.295], ['A', '2HH1', 168.633, 189.001, 186.855], ['A', '1HH2', 167.601, 192.244, 187.686], ['A', '2HH2', 167.685, 190.58, 188.213]]
[['A', ' N ', 170.784, 193.281, 178.78], ['A', ' CA ', 171.705, 193.249, 177.636], ['A', ' C ', 172.004, 194.653, 177.114], ['A', ' O ', 173.119, 194.953, 176.695], ['A', ' CB ', 171.143, 192.447, 176.464], ['A', ' CG ', 171.034, 190.966, 176.566], ['A', ' CD1', 170.231, 190.488, 175.368], ['A', ' CD2', 172.421, 190.337, 176.536], ['A', ' H ', 169.854, 192.862, 178.676], ['A', ' HA ', 172.644, 192.817, 177.966], ['A', '1HB ', 170.159, 192.84, 176.224], ['A', '2HB ', 171.776, 192.62, 175.638], ['A', ' HG ', 170.518, 190.686, 177.477], ['A', '1HD1', 170.121, 189.414, 175.406], ['A', '2HD1', 169.253, 190.95, 175.403], ['A', '3HD1', 170.736, 190.771, 174.448], ['A', '1HD2', 172.328, 189.255, 176.584], ['A', '2HD2', 172.929, 190.616, 175.608], ['A', '3HD2', 173.014, 190.676, 177.381]]
[['A', ' N ', 170.995, 195.513, 177.15], ['A', ' CA ', 171.077, 196.876, 176.674], ['A', ' C ', 172.102, 197.708, 177.436], ['A', ' O ', 172.911, 198.411, 176.827], ['A', ' CB ', 169.709, 197.535, 176.841], ['A', ' CG ', 169.586, 199.013, 176.508], ['A', ' CD1', 169.905, 199.24, 175.068], ['A', ' CD2', 168.178, 199.464, 176.858], ['A', ' H ', 170.102, 195.18, 177.484], ['A', ' HA ', 171.355, 196.843, 175.624], ['A', '1HB ', 169.003, 196.992, 176.218], ['A', '2HB ', 169.403, 197.408, 177.867], ['A', ' HG ', 170.297, 199.587, 177.099], ['A', '1HD1', 169.812, 200.3, 174.844], ['A', '2HD1', 170.921, 198.923, 174.848], ['A', '3HD1', 169.218, 198.682, 174.465], ['A', '1HD2', 168.069, 200.529, 176.638], ['A', '2HD2', 167.459, 198.907, 176.284], ['A', '3HD2', 167.997, 199.293, 177.921]]
[['A', ' N ', 172.074, 197.643, 178.77], ['A', ' CA ', 173.029, 198.398, 179.577], ['A', ' C ', 173.242, 199.809, 179.023], ['A', ' O ', 173.879, 200.645, 179.666], ['A', ' CB ', 174.362, 197.647, 179.629], ['A', ' H ', 171.354, 197.072, 179.226], ['A', ' HA ', 172.621, 198.486, 180.589], ['A', '1HB ', 175.071, 198.193, 180.251], ['A', '2HB ', 174.205, 196.645, 180.047], ['A', '3HB ', 174.766, 197.557, 178.616]]
daq_score_w9.pdb
daq_score_atom_w9.pdb
Please open it in pymol and visualize it by putting the following command to Pymol:
----------------------------------------------------------------------------------------------------
spectrum b, red_white_blue, all, -1,1
----------------------------------------------------------------------------------------------------
gcc -std=c99 -o DAQscore_colab main.c chkcmdline.o mrc.o readpdb.o thread.o dp.o -lm -O3 -msse4.2 -msse -msse2 -msse3 -mmmx -ftree-vectorize -ftree-vectorizer-verbose=3 -ffast-math -march=native -funroll-loops -fopenmp
rank_004_alphafold2_ptm_model_5_seed_000_s2 existed
Origin: (0., 0., 0.)
Previous voxel size: 1.0
----------------------------------------------------------------------------------------------------
resizing finished!
----------------------------------------------------------------------------------------------------
Finished processing model input!
0 batch processing time 1.275837
1 batch processing time 1.154968
2 batch processing time 1.202516
3 batch processing time 1.182361
4 batch processing time 1.136444
5 batch processing time 1.197018
6 batch processing time 1.113003
7 batch processing time 1.131912
8 batch processing time 1.171576
9 batch processing time 1.179725
10 batch processing time 1.126784
11 batch processing time 1.211429
12 batch processing time 1.193895
13 batch processing time 1.148619
14 batch processing time 1.151243
15 batch processing time 1.190248
16 batch processing time 1.205077
17 batch processing time 1.212779
18 batch processing time 1.145075
19 batch processing time 1.192867
20 batch processing time 1.160486
21 batch processing time 1.149294
22 batch processing time 1.135228
23 batch processing time 1.131707
24 batch processing time 1.144670
25 batch processing time 1.194471
26 batch processing time 1.175431
27 batch processing time 1.190316
28 batch processing time 1.194565
29 batch processing time 1.208118
30 batch processing time 1.157458
31 batch processing time 1.207535
32 batch processing time 1.210629
33 batch processing time 1.158990
34 batch processing time 1.162345
35 batch processing time 1.193081
36 batch processing time 1.147817
37 batch processing time 1.194025
38 batch processing time 1.143881
39 batch processing time 1.192083
40 batch processing time 1.190604
prediction.txt, please have a check!
exe_path
daq_raw_score.pdb
total different chains: {'A'}
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[['A', ' N ', 129.814, 228.602, 143.024], ['A', ' CA ', 128.821, 228.837, 144.052], ['A', ' C ', 129.393, 229.749, 145.15], ['A', ' O ', 130.41, 229.407, 145.76], ['A', ' CB ', 128.393, 227.487, 144.677], ['A', ' OG1', 127.861, 226.626, 143.659], ['A', ' CG2', 127.345, 227.714, 145.726], ['A', ' H ', 130.186, 227.664, 142.871], ['A', ' HA ', 127.953, 229.281, 143.572], ['A', ' HB ', 129.261, 227.005, 145.135], ['A', ' HG1', 128.588, 226.312, 143.107], ['A', '1HG2', 127.055, 226.759, 146.164], ['A', '2HG2', 127.747, 228.347, 146.496], ['A', '3HG2', 126.472, 228.185, 145.282]]
[['A', ' N ', 128.743, 230.877, 145.505], ['A', ' CA ', 129.19, 231.823, 146.518], ['A', ' C ', 128.873, 231.348, 147.93], ['A', ' O ', 128.098, 231.986, 148.642], ['A', ' CB ', 128.393, 233.08, 146.158], ['A', ' CG ', 127.094, 232.545, 145.605], ['A', ' CD ', 127.483, 231.274, 144.841], ['A', ' HA ', 130.27, 231.99, 146.4], ['A', '1HB ', 128.251, 233.707, 147.05], ['A', '2HB ', 128.951, 233.685, 145.43], ['A', '1HG ', 126.386, 232.351, 146.43], ['A', '2HG ', 126.626, 233.302, 144.956], ['A', '1HD ', 126.695, 230.527, 144.99], ['A', '2HD ', 127.651, 231.513, 143.776]]
[['A', ' N ', 129.446, 230.209, 148.306], ['A', ' CA ', 129.216, 229.603, 149.621], ['A', ' C ', 130.514, 229.105, 150.249], ['A', ' O ', 131.459, 228.734, 149.543], ['A', ' CB ', 128.191, 228.461, 149.534], ['A', ' CG ', 126.743, 228.899, 149.172], ['A', ' CD ', 125.765, 227.738, 149.116], ['A', ' OE1', 126.19, 226.624, 149.314], ['A', ' OE2', 124.602, 227.969, 148.878], ['A', ' H ', 130.077, 229.757, 147.637], ['A', ' HA ', 128.809, 230.364, 150.288], ['A', '1HB ', 128.522, 227.736, 148.791], ['A', '2HB ', 128.152, 227.943, 150.495], ['A', '1HG ', 126.406, 229.602, 149.931], ['A', '2HG ', 126.738, 229.423, 148.222]]
[['A', ' N ', 130.557, 229.127, 151.58], ['A', ' CA ', 131.697, 228.645, 152.346], ['A', ' C ', 131.75, 227.121, 152.503], ['A', ' O ', 131.017, 226.49, 151.748], ['A', ' CB ', 131.689, 229.305, 153.729], ['A', ' CG ', 130.615, 228.778, 154.716], ['A', ' CD ', 129.257, 229.382, 154.538], ['A', ' OE1', 129.027, 230.014, 153.53], ['A', ' OE2', 128.44, 229.21, 155.409], ['A', ' H ', 129.748, 229.485, 152.095], ['A', ' HA ', 132.606, 228.955, 151.829], ['A', '1HB ', 132.662, 229.169, 154.198], ['A', '2HB ', 131.534, 230.376, 153.616], ['A', '1HG ', 130.521, 227.702, 154.614], ['A', '2HG ', 130.964, 228.975, 155.73]]
[['A', ' N ', 133.008, 226.724, 152.661], ['A', ' CA ', 133.362, 225.56, 153.483], ['A', ' C ', 132.644, 224.229, 153.177], ['A', ' O ', 132.308, 223.489, 154.104], ['A', ' CB ', 133.187, 225.878, 154.969], ['A', ' CG ', 134.101, 227.003, 155.446], ['A', ' OD1', 135.195, 227.126, 154.936], ['A', ' OD2', 133.706, 227.722, 156.336], ['A', ' H ', 133.508, 226.7, 151.786], ['A', ' HA ', 134.428, 225.384, 153.329], ['A', '1HB ', 132.155, 226.133, 155.183], ['A', '2HB ', 133.424, 224.988, 155.555]]
[['A', ' N ', 132.473, 223.879, 151.901], ['A', ' CA ', 131.856, 222.599, 151.539], ['A', ' C ', 131.827, 222.462, 150.015], ['A', ' O ', 131.369, 223.357, 149.305], ['A', ' CB ', 130.408, 222.503, 152.057], ['A', ' CG ', 129.955, 221.093, 152.465], ['A', ' CD ', 129.593, 220.17, 151.339], ['A', ' OE1', 129.178, 220.565, 150.244], ['A', ' NE2', 129.728, 218.872, 151.61], ['A', ' H ', 132.734, 224.524, 151.171], ['A', ' HA ', 132.456, 221.786, 151.95], ['A', '1HB ', 130.244, 223.164, 152.904], ['A', '2HB ', 129.734, 222.832, 151.268], ['A', '1HG ', 130.762, 220.632, 153.032], ['A', '2HG ', 129.074, 221.188, 153.102], ['A', '1HE2', 129.487, 218.177, 150.91], ['A', '2HE2', 130.054, 218.572, 152.51]]
[['A', ' N ', 132.354, 221.349, 149.507], ['A', ' CA ', 132.412, 221.111, 148.069], ['A', ' C ', 131.865, 219.739, 147.657], ['A', ' O ', 132.604, 218.752, 147.676], ['A', ' CB ', 133.843, 221.241, 147.589], ['A', ' CG ', 134.481, 222.6, 147.772], ['A', ' CD ', 135.883, 222.61, 147.292], ['A', ' NE ', 135.981, 222.457, 145.834], ['A', ' CZ ', 137.12, 222.187, 145.162], ['A', ' NH1', 138.263, 222.034, 145.813], ['A', ' NH2', 137.092, 222.077, 143.844], ['A', ' H ', 132.713, 220.644, 150.134], ['A', ' HA ', 131.812, 221.871, 147.574], ['A', '1HB ', 134.468, 220.498, 148.081], ['A', '2HB ', 133.863, 221.044, 146.553], ['A', '1HG ', 133.915, 223.343, 147.217], ['A', '2HG ', 134.488, 222.856, 148.827], ['A', '1HD ', 136.352, 223.553, 147.571], ['A', '2HD ', 136.418, 221.784, 147.76], ['A', ' HE ', 135.132, 222.561, 145.283], ['A', '1HH1', 138.293, 222.12, 146.82], ['A', '2HH1', 139.113, 221.832, 145.307], ['A', '1HH2', 136.221, 222.21, 143.344], ['A', '2HH2', 137.939, 221.872, 143.334]]
[['A', ' N ', 130.585, 219.67, 147.3], ['A', ' CA ', 129.957, 218.394, 146.948], ['A', ' C ', 129.81, 218.246, 145.442], ['A', ' O ', 129.187, 219.088, 144.791], ['A', ' CB ', 128.558, 218.262, 147.593], ['A', ' OG1', 128.684, 218.307, 149.006], ['A', ' CG2', 127.914, 216.956, 147.191], ['A', ' H ', 130.029, 220.514, 147.302], ['A', ' HA ', 130.585, 217.58, 147.311], ['A', ' HB ', 127.926, 219.09, 147.269], ['A', ' HG1', 128.867, 219.234, 149.258], ['A', '1HG2', 126.936, 216.885, 147.658], ['A', '2HG2', 127.8, 216.931, 146.115], ['A', '3HG2', 128.536, 216.121, 147.519]]
[['A', ' N ', 130.351, 217.155, 144.897], ['A', ' CA ', 130.298, 216.93, 143.46], ['A', ' C ', 129.76, 215.574, 143.045], ['A', ' O ', 129.922, 214.578, 143.755], ['A', ' CB ', 131.686, 217.085, 142.853], ['A', ' CG ', 132.261, 218.435, 143.071], ['A', ' CD1', 133.304, 218.598, 143.95], ['A', ' CD2', 131.708, 219.526, 142.44], ['A', ' CE1', 133.808, 219.839, 144.173], ['A', ' CE2', 132.196, 220.772, 142.672], ['A', ' CZ ', 133.245, 220.944, 143.536], ['A', ' OH ', 133.736, 222.215, 143.783], ['A', ' H ', 130.836, 216.5, 145.496], ['A', ' HA ', 129.639, 217.682, 143.026], ['A', '1HB ', 132.362, 216.35, 143.303], ['A', '2HB ', 131.651, 216.88, 141.798], ['A', ' HD1', 133.733, 217.738, 144.464], ['A', ' HD2', 130.873, 219.397, 141.759], ['A', ' HE1', 134.639, 219.959, 144.856], ['A', ' HE2', 131.745, 221.628, 142.175], ['A', ' HH ', 133.179, 222.87, 143.332]]
[['A', ' N ', 129.133, 215.551, 141.871], ['A', ' CA ', 128.671, 214.321, 141.241], ['A', ' C ', 129.151, 214.226, 139.803], ['A', ' O ', 129.094, 215.198, 139.052], ['A', ' CB ', 127.137, 214.208, 141.308], ['A', ' CG1', 126.457, 215.396, 140.638], ['A', ' CG2', 126.671, 212.939, 140.652], ['A', ' H ', 129.005, 216.428, 141.384], ['A', ' HA ', 129.084, 213.474, 141.793], ['A', ' HB ', 126.863, 214.181, 142.33], ['A', '1HG1', 125.38, 215.279, 140.731], ['A', '2HG1', 126.766, 216.314, 141.126], ['A', '3HG1', 126.713, 215.445, 139.58], ['A', '1HG2', 125.618, 212.886, 140.758], ['A', '2HG2', 126.92, 212.93, 139.586], ['A', '3HG2', 127.132, 212.089, 141.146]]
[['A', ' N ', 129.605, 213.046, 139.426], ['A', ' CA ', 130.047, 212.763, 138.079], ['A', ' C ', 129.07, 211.754, 137.503], ['A', ' O ', 129.044, 210.601, 137.934], ['A', ' CB ', 131.447, 212.173, 138.105], ['A', ' CG ', 132.518, 213.073, 138.63], ['A', ' CD1', 132.663, 213.309, 139.999], ['A', ' CD2', 133.423, 213.648, 137.766], ['A', ' CE1', 133.675, 214.115, 140.473], ['A', ' CE2', 134.443, 214.433, 138.243], ['A', ' CZ ', 134.568, 214.673, 139.591], ['A', ' H ', 129.62, 212.294, 140.099], ['A', ' HA ', 130.028, 213.677, 137.48], ['A', '1HB ', 131.456, 211.255, 138.686], ['A', '2HB ', 131.713, 211.927, 137.087], ['A', ' HD1', 131.967, 212.859, 140.7], ['A', ' HD2', 133.336, 213.467, 136.688], ['A', ' HE1', 133.778, 214.301, 141.545], ['A', ' HE2', 135.152, 214.872, 137.544], ['A', ' HZ ', 135.373, 215.304, 139.962]]
[['A', ' N ', 128.242, 212.175, 136.564], ['A', ' CA ', 127.209, 211.285, 136.051], ['A', ' C ', 127.688, 210.45, 134.872], ['A', ' O ', 127.897, 210.962, 133.769], ['A', ' CB ', 125.998, 212.094, 135.609], ['A', ' CG ', 124.788, 211.284, 135.142], ['A', ' CD ', 123.684, 212.189, 134.715], ['A', ' NE ', 122.506, 211.469, 134.229], ['A', ' CZ ', 121.486, 211.019, 135.005], ['A', ' NH1', 121.499, 211.202, 136.314], ['A', ' NH2', 120.467, 210.403, 134.433], ['A', ' H ', 128.313, 213.131, 136.234], ['A', ' HA ', 126.904, 210.613, 136.857], ['A', '1HB ', 125.655, 212.716, 136.442], ['A', '2HB ', 126.278, 212.761, 134.796], ['A', '1HG ', 125.067, 210.656, 134.307], ['A', '2HG ', 124.424, 210.666, 135.965], ['A', '1HD ', 123.39, 212.827, 135.55], ['A', '2HD ', 124.05, 212.812, 133.901], ['A', ' HE ', 122.432, 211.312, 133.21], ['A', '1HH1', 122.287, 211.701, 136.769], ['A', '2HH1', 120.733, 210.878, 136.884], ['A', '1HH2', 120.456, 210.274, 133.427], ['A', '2HH2', 119.693, 210.069, 134.995]]
[['A', ' N ', 127.783, 209.14, 135.069], ['A', ' CA ', 128.267, 208.241, 134.026], ['A', ' C ', 127.141, 207.853, 133.075], ['A', ' O ', 126.73, 206.691, 133.034], ['A', ' CB ', 128.864, 206.981, 134.636], ['A', ' H ', 127.574, 208.775, 135.991], ['A', ' HA ', 129.034, 208.764, 133.454], ['A', '1HB ', 129.234, 206.335, 133.847], ['A', '2HB ', 129.679, 207.236, 135.294], ['A', '3HB ', 128.099, 206.456, 135.201]]
[['A', ' N ', 126.63, 208.834, 132.341], ['A', ' CA ', 125.543, 208.603, 131.395], ['A', ' C ', 126.075, 208.402, 129.99], ['A', ' O ', 126.771, 209.263, 129.45], ['A', ' CB ', 124.542, 209.76, 131.378], ['A', ' CG ', 123.382, 209.533, 130.407], ['A', ' CD ', 122.393, 210.646, 130.361], ['A', ' OE1', 122.055, 211.279, 131.377], ['A', ' NE2', 121.902, 210.916, 129.148], ['A', ' H ', 127.044, 209.763, 132.473], ['A', ' HA ', 125.014, 207.695, 131.686], ['A', '1HB ', 124.113, 209.862, 132.362], ['A', '2HB ', 125.048, 210.69, 131.127], ['A', '1HG ', 123.772, 209.414, 129.396], ['A', '2HG ', 122.853, 208.628, 130.708], ['A', '1HE2', 121.228, 211.648, 129.021], ['A', '2HE2', 122.204, 210.384, 128.348]]
[['A', ' N ', 125.741, 207.267, 129.391], ['A', ' CA ', 126.175, 206.959, 128.039], ['A', ' C ', 125.448, 207.852, 127.042], ['A', ' O ', 124.253, 208.13, 127.204], ['A', ' CB ', 125.894, 205.502, 127.718], ['A', ' OG ', 126.624, 204.638, 128.543], ['A', ' H ', 125.183, 206.587, 129.892], ['A', ' HA ', 127.248, 207.145, 127.959], ['A', '1HB ', 124.833, 205.31, 127.857], ['A', '2HB ', 126.126, 205.306, 126.671], ['A', ' HG ', 126.396, 203.752, 128.247]]
[['A', ' N ', 126.121, 208.232, 125.955], ['A', ' CA ', 125.479, 209.035, 124.913], ['A', ' C ', 124.712, 208.149, 123.953], ['A', ' O ', 125.085, 208.0, 122.788], ['A', ' CB ', 126.501, 209.846, 124.135], ['A', ' H ', 127.093, 207.972, 125.861], ['A', ' HA ', 124.772, 209.711, 125.395], ['A', '1HB ', 125.983, 210.444, 123.383], ['A', '2HB ', 127.043, 210.502, 124.816], ['A', '3HB ', 127.202, 209.173, 123.644]]
[['A', ' N ', 123.657, 207.543, 124.463], ['A', ' CA ', 122.844, 206.632, 123.684], ['A', ' C ', 121.95, 207.412, 122.748], ['A', ' O ', 121.426, 208.467, 123.111], ['A', ' CB ', 121.991, 205.757, 124.6], ['A', ' CG ', 122.788, 204.805, 125.47], ['A', ' CD ', 121.934, 203.94, 126.359], ['A', ' OE1', 120.723, 204.122, 126.359], ['A', ' OE2', 122.473, 203.088, 127.025], ['A', ' H ', 123.447, 207.739, 125.445], ['A', ' HA ', 123.498, 205.998, 123.084], ['A', '1HB ', 121.411, 206.397, 125.259], ['A', '2HB ', 121.295, 205.174, 124.0], ['A', '1HG ', 123.408, 204.165, 124.839], ['A', '2HG ', 123.452, 205.4, 126.082]]
[['A', ' N ', 121.745, 206.882, 121.552], ['A', ' CA ', 120.843, 207.509, 120.607], ['A', ' C ', 119.513, 206.793, 120.718], ['A', ' O ', 119.487, 205.567, 120.847], ['A', ' CB ', 121.4, 207.415, 119.188], ['A', ' CG ', 122.776, 208.092, 118.971], ['A', ' SD ', 122.771, 209.903, 119.14], ['A', ' CE ', 123.518, 210.157, 120.764], ['A', ' H ', 122.214, 206.022, 121.306], ['A', ' HA ', 120.69, 208.55, 120.879], ['A', '1HB ', 121.498, 206.369, 118.908], ['A', '2HB ', 120.694, 207.873, 118.497], ['A', '1HG ', 123.479, 207.697, 119.706], ['A', '2HG ', 123.149, 207.839, 117.978], ['A', '1HE ', 123.581, 211.224, 120.971], ['A', '2HE ', 122.919, 209.688, 121.526], ['A', '3HE ', 124.517, 209.722, 120.777]]
[['A', ' N ', 118.413, 207.537, 120.666], ['A', ' CA ', 117.102, 206.918, 120.788], ['A', ' C ', 116.228, 207.245, 119.589], ['A', ' O ', 116.317, 208.333, 119.019], ['A', ' CB ', 116.422, 207.411, 122.073], ['A', ' CG ', 117.232, 207.161, 123.383], ['A', ' CD ', 117.35, 205.686, 123.761], ['A', ' CE ', 118.133, 205.544, 125.047], ['A', ' NZ ', 118.379, 204.126, 125.434], ['A', ' H ', 118.486, 208.539, 120.551], ['A', ' HA ', 117.217, 205.837, 120.822], ['A', '1HB ', 116.251, 208.482, 121.99], ['A', '2HB ', 115.443, 206.934, 122.177], ['A', '1HG ', 118.24, 207.57, 123.272], ['A', '2HG ', 116.753, 207.683, 124.209], ['A', '1HD ', 116.352, 205.263, 123.903], ['A', '2HD ', 117.862, 205.126, 122.979], ['A', '1HE ', 119.086, 206.033, 124.911], ['A', '2HE ', 117.596, 206.035, 125.846], ['A', '1HZ ', 118.942, 204.113, 126.298], ['A', '2HZ ', 117.507, 203.65, 125.589], ['A', '3HZ ', 118.9, 203.659, 124.717]]
[['A', ' N ', 115.389, 206.288, 119.213], ['A', ' CA ', 114.416, 206.443, 118.149], ['A', ' C ', 113.241, 205.556, 118.515], ['A', ' O ', 113.455, 204.401, 118.873], ['A', ' CB ', 115.011, 206.047, 116.795], ['A', ' CG ', 114.089, 206.285, 115.609], ['A', ' CD ', 114.711, 205.954, 114.288], ['A', ' OE1', 115.865, 205.608, 114.253], ['A', ' OE2', 114.016, 206.036, 113.305], ['A', ' H ', 115.376, 205.413, 119.721], ['A', ' HA ', 114.08, 207.479, 118.108], ['A', '1HB ', 115.933, 206.605, 116.626], ['A', '2HB ', 115.267, 204.988, 116.81], ['A', '1HG ', 113.201, 205.688, 115.723], ['A', '2HG ', 113.793, 207.33, 115.606]]
[['A', ' N ', 112.021, 206.093, 118.388], ['A', ' CA ', 110.759, 205.415, 118.724], ['A', ' C ', 110.594, 205.347, 120.246], ['A', ' O ', 111.473, 204.879, 120.96], ['A', ' CB ', 110.654, 203.994, 118.151], ['A', ' CG ', 110.608, 203.898, 116.641], ['A', ' CD ', 110.502, 202.489, 116.183], ['A', ' NE ', 110.561, 202.387, 114.717], ['A', ' CZ ', 109.509, 202.492, 113.865], ['A', ' NH1', 108.289, 202.702, 114.316], ['A', ' NH2', 109.717, 202.383, 112.562], ['A', ' H ', 111.971, 207.049, 118.062], ['A', ' HA ', 109.933, 205.998, 118.314], ['A', '1HB ', 111.433, 203.345, 118.516], ['A', '2HB ', 109.719, 203.562, 118.498], ['A', '1HG ', 109.761, 204.465, 116.258], ['A', '2HG ', 111.523, 204.3, 116.236], ['A', '1HD ', 111.344, 201.93, 116.595], ['A', '2HD ', 109.574, 202.042, 116.535], ['A', ' HE ', 111.475, 202.227, 114.308], ['A', '1HH1', 108.12, 202.786, 115.305], ['A', '2HH1', 107.517, 202.778, 113.669], ['A', '1HH2', 110.653, 202.226, 112.209], ['A', '2HH2', 108.944, 202.46, 111.917]]
[['A', ' N ', 109.479, 205.866, 120.756], ['A', ' CA ', 109.212, 205.814, 122.199], ['A', ' C ', 109.722, 207.041, 122.966], ['A', ' O ', 109.44, 207.198, 124.159], ['A', ' H ', 108.783, 206.259, 120.138], ['A', '1HA ', 108.138, 205.709, 122.358], ['A', '2HA ', 109.674, 204.917, 122.612]]
[['A', ' N ', 110.456, 207.913, 122.286], ['A', ' CA ', 111.013, 209.112, 122.904], ['A', ' C ', 112.412, 208.884, 123.48], ['A', ' O ', 112.967, 207.78, 123.451], ['A', ' H ', 110.638, 207.722, 121.313], ['A', '1HA ', 111.054, 209.913, 122.164], ['A', '2HA ', 110.346, 209.454, 123.696]]
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[['A', ' N ', 186.862, 186.407, 117.421], ['A', ' CA ', 186.515, 187.676, 116.759], ['A', ' C ', 185.037, 187.98, 116.522], ['A', ' O ', 184.66, 189.161, 116.505], ['A', ' CB ', 187.228, 187.526, 115.409], ['A', ' CG ', 188.414, 186.648, 115.696], ['A', ' CD ', 187.919, 185.642, 116.685], ['A', ' HA ', 186.974, 188.5, 117.321], ['A', '1HB ', 186.542, 187.097, 114.661], ['A', '2HB ', 187.53, 188.514, 115.03], ['A', '1HG ', 188.775, 186.184, 114.764], ['A', '2HG ', 189.25, 187.249, 116.091], ['A', '1HD ', 187.491, 184.769, 116.171], ['A', '2HD ', 188.773, 185.373, 117.312]]
[['A', ' N ', 184.198, 186.957, 116.333], ['A', ' CA ', 182.786, 187.231, 116.113], ['A', ' C ', 182.146, 187.807, 117.379], ['A', ' O ', 181.171, 188.565, 117.301], ['A', ' CB ', 182.078, 185.965, 115.663], ['A', ' OG ', 182.103, 184.983, 116.661], ['A', ' H ', 184.492, 185.99, 116.332], ['A', ' HA ', 182.697, 187.972, 115.321], ['A', '1HB ', 181.044, 186.206, 115.42], ['A', '2HB ', 182.547, 185.583, 114.76], ['A', ' HG ', 181.606, 184.234, 116.312]]
[['A', ' N ', 182.748, 187.517, 118.547], ['A', ' CA ', 182.266, 188.041, 119.807], ['A', ' C ', 182.342, 189.535, 119.808], ['A', ' O ', 181.334, 190.204, 119.999], ['A', ' CB ', 183.14, 187.531, 120.967], ['A', ' CG ', 182.844, 188.131, 122.327], ['A', ' CD1', 181.816, 187.657, 123.108], ['A', ' CD2', 183.613, 189.178, 122.811], ['A', ' CE1', 181.572, 188.203, 124.339], ['A', ' CE2', 183.366, 189.725, 124.037], ['A', ' CZ ', 182.348, 189.234, 124.807], ['A', ' H ', 183.561, 186.899, 118.566], ['A', ' HA ', 181.228, 187.739, 119.95], ['A', '1HB ', 183.019, 186.455, 121.043], ['A', '2HB ', 184.182, 187.719, 120.74], ['A', ' HD1', 181.197, 186.841, 122.737], ['A', ' HD2', 184.431, 189.576, 122.206], ['A', ' HE1', 180.758, 187.813, 124.953], ['A', ' HE2', 183.989, 190.547, 124.4], ['A', ' HZ ', 182.15, 189.66, 125.789]]
[['A', ' N ', 183.52, 190.082, 119.531], ['A', ' CA ', 183.642, 191.516, 119.619], ['A', ' C ', 182.863, 192.234, 118.537], ['A', ' O ', 182.342, 193.328, 118.775], ['A', ' CB ', 185.096, 191.961, 119.592], ['A', ' CG ', 185.273, 193.457, 119.906], ['A', ' CD ', 184.802, 193.799, 121.342], ['A', ' OE1', 185.194, 193.097, 122.278], ['A', ' NE2', 183.995, 194.846, 121.518], ['A', ' H ', 184.321, 189.499, 119.326], ['A', ' HA ', 183.229, 191.816, 120.58], ['A', '1HB ', 185.662, 191.385, 120.317], ['A', '2HB ', 185.516, 191.762, 118.605], ['A', '1HG ', 186.327, 193.703, 119.821], ['A', '2HG ', 184.7, 194.062, 119.203], ['A', '1HE2', 183.703, 195.099, 122.438], ['A', '2HE2', 183.679, 195.405, 120.733]]
[['A', ' N ', 182.767, 191.675, 117.319], ['A', ' CA ', 182.049, 192.464, 116.329], ['A', ' C ', 180.587, 192.572, 116.735], ['A', ' O ', 180.005, 193.663, 116.642], ['A', ' CB ', 182.165, 191.848, 114.943], ['A', ' OG ', 181.441, 190.656, 114.844], ['A', ' H ', 183.205, 190.779, 117.082], ['A', ' HA ', 182.477, 193.463, 116.303], ['A', '1HB ', 181.812, 192.554, 114.195], ['A', '2HB ', 183.218, 191.65, 114.736], ['A', ' HG ', 181.722, 190.244, 114.023]]
[['A', ' N ', 180.033, 191.5, 117.333], ['A', ' CA ', 178.667, 191.557, 117.818], ['A', ' C ', 178.557, 192.372, 119.094], ['A', ' O ', 177.613, 193.13, 119.259], ['A', ' CB ', 178.116, 190.155, 118.044], ['A', ' CG ', 177.853, 189.307, 116.802], ['A', ' CD1', 177.522, 187.896, 117.25], ['A', ' CD2', 176.668, 189.897, 116.007], ['A', ' H ', 180.552, 190.611, 117.366], ['A', ' HA ', 178.069, 192.063, 117.069], ['A', '1HB ', 178.84, 189.612, 118.662], ['A', '2HB ', 177.191, 190.235, 118.594], ['A', ' HG ', 178.749, 189.276, 116.173], ['A', '1HD1', 177.334, 187.271, 116.379], ['A', '2HD1', 178.371, 187.493, 117.81], ['A', '3HD1', 176.639, 187.911, 117.885], ['A', '1HD2', 176.48, 189.27, 115.136], ['A', '2HD2', 175.782, 189.918, 116.638], ['A', '3HD2', 176.892, 190.9, 115.669]]
[['A', ' N ', 179.536, 192.312, 119.989], ['A', ' CA ', 179.409, 193.091, 121.209], ['A', ' C ', 179.42, 194.581, 120.937], ['A', ' O ', 178.561, 195.297, 121.456], ['A', ' CB ', 180.496, 192.725, 122.232], ['A', ' CG1', 180.499, 193.694, 123.391], ['A', ' CG2', 180.197, 191.354, 122.786], ['A', ' H ', 180.326, 191.683, 119.848], ['A', ' HA ', 178.448, 192.842, 121.661], ['A', ' HB ', 181.467, 192.748, 121.757], ['A', '1HG1', 181.266, 193.398, 124.11], ['A', '2HG1', 180.712, 194.703, 123.048], ['A', '3HG1', 179.524, 193.664, 123.862], ['A', '1HG2', 180.949, 191.109, 123.499], ['A', '2HG2', 179.222, 191.362, 123.271], ['A', '3HG2', 180.188, 190.617, 122.002]]
[['A', ' N ', 180.337, 195.065, 120.098], ['A', ' CA ', 180.321, 196.495, 119.846], ['A', ' C ', 179.045, 196.899, 119.092], ['A', ' O ', 178.399, 197.891, 119.452], ['A', ' CB ', 181.542, 196.915, 119.025], ['A', ' OG ', 182.759, 196.763, 119.738], ['A', ' H ', 181.036, 194.455, 119.663], ['A', ' HA ', 180.341, 197.019, 120.8], ['A', '1HB ', 181.58, 196.309, 118.114], ['A', '2HB ', 181.427, 197.952, 118.718], ['A', ' HG ', 183.441, 197.132, 119.162]]
[['A', ' N ', 178.632, 196.108, 118.085], ['A', ' CA ', 177.453, 196.457, 117.302], ['A', ' C ', 176.13, 196.345, 118.054], ['A', ' O ', 175.239, 197.173, 117.841], ['A', ' CB ', 177.379, 195.598, 116.039], ['A', ' CG ', 178.438, 195.933, 114.987], ['A', ' CD ', 178.328, 195.024, 113.767], ['A', ' CE ', 179.391, 195.369, 112.732], ['A', ' NZ ', 179.301, 194.496, 111.528], ['A', ' H ', 179.183, 195.292, 117.803], ['A', ' HA ', 177.561, 197.493, 116.994], ['A', '1HB ', 177.494, 194.547, 116.314], ['A', '2HB ', 176.395, 195.711, 115.584], ['A', '1HG ', 178.316, 196.97, 114.672], ['A', '2HG ', 179.428, 195.821, 115.427], ['A', '1HD ', 178.467, 193.988, 114.084], ['A', '2HD ', 177.344, 195.126, 113.315], ['A', '1HE ', 179.269, 196.407, 112.427], ['A', '2HE ', 180.376, 195.247, 113.184], ['A', '1HZ ', 180.024, 194.756, 110.87], ['A', '2HZ ', 179.425, 193.531, 111.8], ['A', '3HZ ', 178.396, 194.609, 111.094]]
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[['A', ' N ', 175.749, 196.462, 121.43], ['A', ' CA ', 175.66, 197.451, 122.487], ['A', ' C ', 175.275, 198.788, 121.86], ['A', ' O ', 174.419, 199.497, 122.4], ['A', ' CB ', 176.968, 197.582, 123.252], ['A', ' CG ', 177.317, 196.421, 124.168], ['A', ' CD ', 178.625, 196.632, 124.808], ['A', ' NE ', 178.949, 195.569, 125.72], ['A', ' CZ ', 180.126, 195.426, 126.35], ['A', ' NH1', 181.094, 196.289, 126.153], ['A', ' NH2', 180.303, 194.409, 127.173], ['A', ' H ', 176.659, 196.039, 121.216], ['A', ' HA ', 174.88, 197.156, 123.185], ['A', '1HB ', 177.789, 197.692, 122.537], ['A', '2HB ', 176.944, 198.471, 123.863], ['A', '1HG ', 176.568, 196.346, 124.951], ['A', '2HG ', 177.347, 195.488, 123.603], ['A', '1HD ', 179.399, 196.687, 124.04], ['A', '2HD ', 178.597, 197.566, 125.37], ['A', ' HE ', 178.231, 194.877, 125.904], ['A', '1HH1', 180.961, 197.065, 125.525], ['A', '2HH1', 181.977, 196.176, 126.632], ['A', '1HH2', 179.554, 193.743, 127.325], ['A', '2HH2', 181.181, 194.291, 127.655]]
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[['A', ' N ', 129.605, 213.046, 139.426], ['A', ' CA ', 130.047, 212.763, 138.079], ['A', ' C ', 129.07, 211.754, 137.503], ['A', ' O ', 129.044, 210.601, 137.934], ['A', ' CB ', 131.447, 212.173, 138.105], ['A', ' CG ', 132.518, 213.073, 138.63], ['A', ' CD1', 132.663, 213.309, 139.999], ['A', ' CD2', 133.423, 213.648, 137.766], ['A', ' CE1', 133.675, 214.115, 140.473], ['A', ' CE2', 134.443, 214.433, 138.243], ['A', ' CZ ', 134.568, 214.673, 139.591], ['A', ' H ', 129.62, 212.294, 140.099], ['A', ' HA ', 130.028, 213.677, 137.48], ['A', '1HB ', 131.456, 211.255, 138.686], ['A', '2HB ', 131.713, 211.927, 137.087], ['A', ' HD1', 131.967, 212.859, 140.7], ['A', ' HD2', 133.336, 213.467, 136.688], ['A', ' HE1', 133.778, 214.301, 141.545], ['A', ' HE2', 135.152, 214.872, 137.544], ['A', ' HZ ', 135.373, 215.304, 139.962]]
[['A', ' N ', 128.242, 212.175, 136.564], ['A', ' CA ', 127.209, 211.285, 136.051], ['A', ' C ', 127.688, 210.45, 134.872], ['A', ' O ', 127.897, 210.962, 133.769], ['A', ' CB ', 125.998, 212.094, 135.609], ['A', ' CG ', 124.788, 211.284, 135.142], ['A', ' CD ', 123.684, 212.189, 134.715], ['A', ' NE ', 122.506, 211.469, 134.229], ['A', ' CZ ', 121.486, 211.019, 135.005], ['A', ' NH1', 121.499, 211.202, 136.314], ['A', ' NH2', 120.467, 210.403, 134.433], ['A', ' H ', 128.313, 213.131, 136.234], ['A', ' HA ', 126.904, 210.613, 136.857], ['A', '1HB ', 125.655, 212.716, 136.442], ['A', '2HB ', 126.278, 212.761, 134.796], ['A', '1HG ', 125.067, 210.656, 134.307], ['A', '2HG ', 124.424, 210.666, 135.965], ['A', '1HD ', 123.39, 212.827, 135.55], ['A', '2HD ', 124.05, 212.812, 133.901], ['A', ' HE ', 122.432, 211.312, 133.21], ['A', '1HH1', 122.287, 211.701, 136.769], ['A', '2HH1', 120.733, 210.878, 136.884], ['A', '1HH2', 120.456, 210.274, 133.427], ['A', '2HH2', 119.693, 210.069, 134.995]]
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[['A', ' N ', 126.63, 208.834, 132.341], ['A', ' CA ', 125.543, 208.603, 131.395], ['A', ' C ', 126.075, 208.402, 129.99], ['A', ' O ', 126.771, 209.263, 129.45], ['A', ' CB ', 124.542, 209.76, 131.378], ['A', ' CG ', 123.382, 209.533, 130.407], ['A', ' CD ', 122.393, 210.646, 130.361], ['A', ' OE1', 122.055, 211.279, 131.377], ['A', ' NE2', 121.902, 210.916, 129.148], ['A', ' H ', 127.044, 209.763, 132.473], ['A', ' HA ', 125.014, 207.695, 131.686], ['A', '1HB ', 124.113, 209.862, 132.362], ['A', '2HB ', 125.048, 210.69, 131.127], ['A', '1HG ', 123.772, 209.414, 129.396], ['A', '2HG ', 122.853, 208.628, 130.708], ['A', '1HE2', 121.228, 211.648, 129.021], ['A', '2HE2', 122.204, 210.384, 128.348]]
[['A', ' N ', 125.741, 207.267, 129.391], ['A', ' CA ', 126.175, 206.959, 128.039], ['A', ' C ', 125.448, 207.852, 127.042], ['A', ' O ', 124.253, 208.13, 127.204], ['A', ' CB ', 125.894, 205.502, 127.718], ['A', ' OG ', 126.624, 204.638, 128.543], ['A', ' H ', 125.183, 206.587, 129.892], ['A', ' HA ', 127.248, 207.145, 127.959], ['A', '1HB ', 124.833, 205.31, 127.857], ['A', '2HB ', 126.126, 205.306, 126.671], ['A', ' HG ', 126.396, 203.752, 128.247]]
[['A', ' N ', 126.121, 208.232, 125.955], ['A', ' CA ', 125.479, 209.035, 124.913], ['A', ' C ', 124.712, 208.149, 123.953], ['A', ' O ', 125.085, 208.0, 122.788], ['A', ' CB ', 126.501, 209.846, 124.135], ['A', ' H ', 127.093, 207.972, 125.861], ['A', ' HA ', 124.772, 209.711, 125.395], ['A', '1HB ', 125.983, 210.444, 123.383], ['A', '2HB ', 127.043, 210.502, 124.816], ['A', '3HB ', 127.202, 209.173, 123.644]]
[['A', ' N ', 123.657, 207.543, 124.463], ['A', ' CA ', 122.844, 206.632, 123.684], ['A', ' C ', 121.95, 207.412, 122.748], ['A', ' O ', 121.426, 208.467, 123.111], ['A', ' CB ', 121.991, 205.757, 124.6], ['A', ' CG ', 122.788, 204.805, 125.47], ['A', ' CD ', 121.934, 203.94, 126.359], ['A', ' OE1', 120.723, 204.122, 126.359], ['A', ' OE2', 122.473, 203.088, 127.025], ['A', ' H ', 123.447, 207.739, 125.445], ['A', ' HA ', 123.498, 205.998, 123.084], ['A', '1HB ', 121.411, 206.397, 125.259], ['A', '2HB ', 121.295, 205.174, 124.0], ['A', '1HG ', 123.408, 204.165, 124.839], ['A', '2HG ', 123.452, 205.4, 126.082]]
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[['A', ' N ', 177.722, 187.037, 168.369], ['A', ' CA ', 178.502, 186.507, 169.494], ['A', ' C ', 177.645, 185.979, 170.628], ['A', ' O ', 178.025, 185.017, 171.298], ['A', ' CB ', 179.44, 187.539, 170.066], ['A', ' CG ', 180.612, 187.957, 169.179], ['A', ' CD ', 181.547, 186.818, 168.844], ['A', ' NE ', 182.132, 186.216, 170.045], ['A', ' CZ ', 182.736, 185.007, 170.121], ['A', ' NH1', 182.851, 184.228, 169.069], ['A', ' NH2', 183.22, 184.602, 171.275], ['A', ' H ', 177.749, 188.033, 168.115], ['A', ' HA ', 179.085, 185.673, 169.122], ['A', '1HB ', 178.86, 188.441, 170.276], ['A', '2HB ', 179.829, 187.176, 171.01], ['A', '1HG ', 180.221, 188.355, 168.241], ['A', '2HG ', 181.179, 188.732, 169.691], ['A', '1HD ', 181.047, 186.056, 168.257], ['A', '2HD ', 182.364, 187.232, 168.251], ['A', ' HE ', 182.083, 186.756, 170.896], ['A', '1HH1', 182.478, 184.501, 168.17], ['A', '2HH1', 183.306, 183.33, 169.157], ['A', '1HH2', 183.136, 185.193, 172.088], ['A', '2HH2', 183.676, 183.703, 171.349]]
[['A', ' N ', 176.503, 186.619, 170.852], ['A', ' CA ', 175.576, 186.244, 171.899], ['A', ' C ', 174.94, 184.914, 171.616], ['A', ' O ', 174.8, 184.085, 172.511], ['A', ' CB ', 174.477, 187.289, 171.982], ['A', ' CG ', 174.887, 188.664, 172.484], ['A', ' CD1', 173.736, 189.617, 172.234], ['A', ' CD2', 175.238, 188.615, 173.966], ['A', ' H ', 176.284, 187.426, 170.27], ['A', ' HA ', 176.123, 186.168, 172.831], ['A', '1HB ', 174.071, 187.42, 170.974], ['A', '2HB ', 173.684, 186.909, 172.622], ['A', ' HG ', 175.753, 189.008, 171.948], ['A', '1HD1', 174.013, 190.616, 172.576], ['A', '2HD1', 173.521, 189.65, 171.171], ['A', '3HD1', 172.855, 189.279, 172.774], ['A', '1HD2', 175.522, 189.614, 174.294], ['A', '2HD2', 174.376, 188.274, 174.538], ['A', '3HD2', 176.069, 187.943, 174.137]]
[['A', ' N ', 174.598, 184.676, 170.363], ['A', ' CA ', 173.991, 183.421, 169.989], ['A', ' C ', 175.03, 182.316, 169.751], ['A', ' O ', 174.766, 181.145, 170.025], ['A', ' CB ', 173.179, 183.631, 168.723], ['A', ' CG ', 171.728, 184.109, 168.87], ['A', ' CD1', 171.611, 185.413, 169.658], ['A', ' CD2', 171.217, 184.343, 167.502], ['A', ' H ', 174.676, 185.42, 169.667], ['A', ' HA ', 173.34, 183.101, 170.793], ['A', '1HB ', 173.709, 184.35, 168.098], ['A', '2HB ', 173.16, 182.68, 168.185], ['A', ' HG ', 171.143, 183.351, 169.38], ['A', '1HD1', 170.558, 185.695, 169.697], ['A', '2HD1', 171.982, 185.285, 170.672], ['A', '3HD1', 172.154, 186.2, 169.177], ['A', '1HD2', 170.18, 184.682, 167.547], ['A', '2HD2', 171.836, 185.105, 167.033], ['A', '3HD2', 171.276, 183.423, 166.93]]
[['A', ' N ', 176.214, 182.675, 169.226], ['A', ' CA ', 177.298, 181.737, 168.911], ['A', ' C ', 178.572, 182.531, 168.629], ['A', ' O ', 179.029, 182.626, 167.484], ['A', ' CB ', 176.949, 180.835, 167.719], ['A', ' H ', 176.378, 183.656, 169.002], ['A', ' HA ', 177.478, 181.117, 169.781], ['A', '1HB ', 177.766, 180.147, 167.535], ['A', '2HB ', 176.051, 180.262, 167.948], ['A', '3HB ', 176.778, 181.441, 166.831]]
daq_score_w9.pdb
daq_score_atom_w9.pdb
Please open it in pymol and visualize it by putting the following command to Pymol:
----------------------------------------------------------------------------------------------------
spectrum b, red_white_blue, all, -1,1
----------------------------------------------------------------------------------------------------
gcc -std=c99 -o DAQscore_colab main.c chkcmdline.o mrc.o readpdb.o thread.o dp.o -lm -O3 -msse4.2 -msse -msse2 -msse3 -mmmx -ftree-vectorize -ftree-vectorizer-verbose=3 -ffast-math -march=native -funroll-loops -fopenmp
rank_003_alphafold2_ptm_model_3_seed_000_s2 existed
Origin: (0., 0., 0.)
Previous voxel size: 1.0
----------------------------------------------------------------------------------------------------
resizing finished!
----------------------------------------------------------------------------------------------------
Finished processing model input!
0 batch processing time 1.246620
1 batch processing time 1.141553
2 batch processing time 1.182872
3 batch processing time 1.122177
4 batch processing time 1.193547
5 batch processing time 1.159276
6 batch processing time 1.159320
7 batch processing time 1.193406
8 batch processing time 1.148721
9 batch processing time 1.197445
10 batch processing time 1.199404
11 batch processing time 1.174294
12 batch processing time 1.175691
13 batch processing time 1.192529
14 batch processing time 1.144683
15 batch processing time 1.188165
16 batch processing time 1.118635
17 batch processing time 1.180182
18 batch processing time 1.132850
19 batch processing time 1.158342
20 batch processing time 1.200021
21 batch processing time 1.150389
22 batch processing time 1.212557
23 batch processing time 1.199999
24 batch processing time 1.153106
25 batch processing time 1.197540
26 batch processing time 1.197530
27 batch processing time 1.221695
28 batch processing time 1.226309
29 batch processing time 1.155505
30 batch processing time 1.216666
31 batch processing time 1.210377
32 batch processing time 1.200726
33 batch processing time 1.184428
34 batch processing time 1.175226
35 batch processing time 1.211349
36 batch processing time 1.148599
37 batch processing time 1.224407
38 batch processing time 1.139289
39 batch processing time 1.178765
40 batch processing time 1.175466
41 batch processing time 1.196207
42 batch processing time 1.146956
43 batch processing time 1.212509
44 batch processing time 1.127886
prediction.txt, please have a check!
exe_path
daq_raw_score.pdb
total different chains: {'A'}
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[['A', ' N ', 134.519, 191.622, 229.714], ['A', ' CA ', 135.977, 191.56, 229.599], ['A', ' C ', 136.566, 192.915, 229.235], ['A', ' O ', 136.272, 193.294, 228.097], ['A', ' CB ', 136.386, 190.537, 228.563], ['A', ' OG ', 137.777, 190.371, 228.554], ['A', ' H ', 134.007, 192.16, 229.031], ['A', ' HA ', 136.391, 191.267, 230.565], ['A', '1HB ', 135.904, 189.585, 228.784], ['A', '2HB ', 136.047, 190.856, 227.579], ['A', ' HG ', 137.96, 189.733, 227.863]]
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[['A', ' N ', 139.845, 194.959, 230.712], ['A', ' CA ', 141.141, 194.717, 231.336], ['A', ' C ', 142.082, 195.843, 230.962], ['A', ' O ', 141.516, 196.887, 230.624], ['A', ' CB ', 141.781, 193.441, 230.834], ['A', ' OG ', 142.14, 193.582, 229.48], ['A', ' H ', 139.813, 195.63, 229.959], ['A', ' HA ', 141.025, 194.688, 232.42], ['A', '1HB ', 142.677, 193.236, 231.425], ['A', '2HB ', 141.102, 192.601, 230.958], ['A', ' HG ', 142.803, 192.879, 229.291]]
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[['A', ' N ', 146.576, 195.54, 230.636], ['A', ' CA ', 147.747, 194.678, 230.714], ['A', ' C ', 149.004, 195.545, 230.779], ['A', ' O ', 149.245, 196.131, 229.722], ['A', ' CB ', 147.761, 193.727, 229.512], ['A', ' CG ', 146.483, 192.903, 229.413], ['A', ' ND1', 146.215, 191.839, 230.247], ['A', ' CD2', 145.406, 193.022, 228.594], ['A', ' CE1', 145.03, 191.333, 229.942], ['A', ' NE2', 144.513, 192.031, 228.941], ['A', ' H ', 146.609, 196.334, 230.011], ['A', ' HA ', 147.711, 194.081, 231.626], ['A', '1HB ', 147.882, 194.294, 228.591], ['A', '2HB ', 148.605, 193.042, 229.593], ['A', ' HD1', 146.572, 191.777, 231.182], ['A', ' HD2', 145.163, 193.719, 227.792], ['A', ' HE1', 144.636, 190.479, 230.493]]
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[['A', ' N ', 152.562, 195.756, 232.587], ['A', ' CA ', 153.682, 194.864, 232.905], ['A', ' C ', 155.022, 195.54, 232.525], ['A', ' O ', 155.593, 195.223, 231.487], ['A', ' CB ', 153.541, 193.513, 232.172], ['A', ' CG ', 154.708, 192.51, 232.404], ['A', ' CD ', 154.882, 192.094, 233.848], ['A', ' OE1', 153.941, 191.672, 234.526], ['A', ' NE2', 156.109, 192.218, 234.335], ['A', ' H ', 152.779, 196.648, 232.163], ['A', ' HA ', 153.664, 194.637, 233.963], ['A', '1HB ', 152.635, 193.015, 232.496], ['A', '2HB ', 153.447, 193.684, 231.107], ['A', '1HG ', 154.485, 191.61, 231.83], ['A', '2HG ', 155.648, 192.921, 232.062], ['A', '1HE2', 156.302, 191.964, 235.286], ['A', '2HE2', 156.851, 192.571, 233.755]]
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[['A', ' N ', 155.674, 249.934, 223.013], ['A', ' CA ', 154.453, 249.219, 222.653], ['A', ' C ', 153.866, 248.559, 223.891], ['A', ' O ', 154.691, 247.827, 224.476], ['A', ' CB ', 154.684, 248.121, 221.615], ['A', ' CG ', 155.247, 248.521, 220.23], ['A', ' CD ', 154.269, 249.273, 219.405], ['A', ' NE ', 154.796, 249.571, 218.077], ['A', ' CZ ', 155.545, 250.655, 217.723], ['A', ' NH1', 155.903, 251.598, 218.585], ['A', ' NH2', 155.934, 250.76, 216.463], ['A', ' H ', 156.231, 249.567, 223.786], ['A', ' HA ', 153.707, 249.953, 222.286], ['A', '1HB ', 155.36, 247.378, 222.039], ['A', '2HB ', 153.736, 247.617, 221.426], ['A', '1HG ', 156.152, 249.104, 220.33], ['A', '2HG ', 155.48, 247.61, 219.677], ['A', '1HD ', 153.375, 248.663, 219.278], ['A', '2HD ', 153.995, 250.201, 219.884], ['A', ' HE ', 154.577, 248.909, 217.347], ['A', '1HH1', 155.64, 251.556, 219.585], ['A', '2HH1', 156.457, 252.384, 218.264], ['A', '1HH2', 155.673, 250.048, 215.794], ['A', '2HH2', 156.493, 251.547, 216.172]]
[['A', ' N ', 153.164, 249.405, 224.63], ['A', ' CA ', 152.019, 248.863, 225.368], ['A', ' C ', 150.718, 248.909, 224.572], ['A', ' O ', 150.369, 249.943, 223.988], ['A', ' CB ', 151.843, 249.624, 226.687], ['A', ' CG ', 150.711, 249.099, 227.576], ['A', ' CD ', 150.589, 249.853, 228.865], ['A', ' OE1', 151.375, 250.741, 229.089], ['A', ' OE2', 149.71, 249.541, 229.629], ['A', ' H ', 153.711, 250.017, 225.201], ['A', ' HA ', 152.234, 247.821, 225.6], ['A', '1HB ', 152.767, 249.566, 227.265], ['A', '2HB ', 151.65, 250.677, 226.484], ['A', '1HG ', 149.765, 249.184, 227.04], ['A', '2HG ', 150.882, 248.044, 227.79]]
[['A', ' N ', 149.994, 247.788, 224.577], ['A', ' CA ', 148.695, 247.66, 223.922], ['A', ' C ', 147.758, 246.875, 224.841], ['A', ' O ', 148.205, 245.947, 225.517], ['A', ' CB ', 148.827, 246.957, 222.578], ['A', ' CG ', 149.644, 247.699, 221.505], ['A', ' CD ', 148.925, 248.906, 221.013], ['A', ' NE ', 149.62, 249.582, 219.922], ['A', ' CZ ', 150.603, 250.509, 220.058], ['A', ' NH1', 151.056, 250.876, 221.248], ['A', ' NH2', 151.114, 251.068, 218.967], ['A', ' H ', 150.356, 246.991, 225.081], ['A', ' HA ', 148.269, 248.649, 223.772], ['A', '1HB ', 149.299, 246.003, 222.729], ['A', '2HB ', 147.833, 246.768, 222.165], ['A', '1HG ', 150.611, 247.998, 221.903], ['A', '2HG ', 149.799, 247.029, 220.662], ['A', '1HD ', 147.946, 248.593, 220.645], ['A', '2HD ', 148.786, 249.621, 221.816], ['A', ' HE ', 149.323, 249.357, 218.981], ['A', '1HH1', 150.687, 250.47, 222.127], ['A', '2HH1', 151.778, 251.58, 221.314], ['A', '1HH2', 150.772, 250.804, 218.052], ['A', '2HH2', 151.841, 251.769, 219.047]]
[['A', ' N ', 146.479, 247.26, 224.904], ['A', ' CA ', 145.517, 246.516, 225.714], ['A', ' C ', 144.943, 245.336, 224.959], ['A', ' O ', 144.688, 245.413, 223.757], ['A', ' CB ', 144.367, 247.385, 226.218], ['A', ' CG ', 143.556, 246.653, 227.332], ['A', ' OD1', 142.486, 246.132, 227.058], ['A', ' OD2', 144.044, 246.625, 228.442], ['A', ' H ', 146.158, 248.051, 224.361], ['A', ' HA ', 146.041, 246.126, 226.593], ['A', '1HB ', 144.752, 248.317, 226.618], ['A', '2HB ', 143.703, 247.63, 225.382]]
[['A', ' N ', 144.722, 244.247, 225.688], ['A', ' CA ', 144.11, 243.04, 225.172], ['A', ' C ', 143.066, 242.515, 226.147], ['A', ' O ', 143.565, 242.086, 227.191], ['A', ' CB ', 145.185, 241.999, 224.879], ['A', ' CG ', 146.247, 242.453, 223.851], ['A', ' CD1', 147.476, 242.96, 224.275], ['A', ' CD2', 145.983, 242.353, 222.494], ['A', ' CE1', 148.423, 243.343, 223.354], ['A', ' CE2', 146.937, 242.739, 221.573], ['A', ' CZ ', 148.153, 243.225, 221.997], ['A', ' OH ', 149.105, 243.6, 221.07], ['A', ' H ', 144.984, 244.261, 226.664], ['A', ' HA ', 143.59, 243.284, 224.242], ['A', '1HB ', 145.7, 241.749, 225.805], ['A', '2HB ', 144.714, 241.089, 224.509], ['A', ' HD1', 147.695, 243.054, 225.338], ['A', ' HD2', 145.027, 241.962, 222.149], ['A', ' HE1', 149.384, 243.733, 223.694], ['A', ' HE2', 146.734, 242.656, 220.507], ['A', ' HH ', 149.892, 243.913, 221.525]]
[['A', ' N ', 142.012, 243.333, 226.222], ['A', ' CA ', 140.726, 242.686, 226.543], ['A', ' C ', 139.848, 242.514, 225.309], ['A', ' O ', 139.498, 243.481, 224.643], ['A', ' CB ', 139.934, 243.49, 227.624], ['A', ' CG1', 140.765, 243.547, 228.963], ['A', ' CG2', 138.517, 242.847, 227.848], ['A', ' CD1', 140.259, 244.535, 230.002], ['A', ' H ', 142.16, 244.21, 226.746], ['A', ' HA ', 140.931, 241.685, 226.931], ['A', ' HB ', 139.819, 244.521, 227.287], ['A', '1HG1', 140.777, 242.551, 229.408], ['A', '2HG1', 141.793, 243.838, 228.741], ['A', '1HG2', 137.964, 243.411, 228.588], ['A', '2HG2', 137.92, 242.836, 226.923], ['A', '3HG2', 138.63, 241.821, 228.202], ['A', '1HD1', 140.913, 244.493, 230.878], ['A', '2HD1', 140.292, 245.55, 229.575], ['A', '3HD1', 139.242, 244.317, 230.323]]
[['A', ' N ', 139.524, 241.259, 224.987], ['A', ' CA ', 138.681, 240.97, 223.84], ['A', ' C ', 137.228, 241.293, 224.187], ['A', ' O ', 136.788, 240.979, 225.297], ['A', ' CB ', 138.789, 239.51, 223.452], ['A', ' H ', 139.861, 240.496, 225.564], ['A', ' HA ', 139.024, 241.591, 223.018], ['A', '1HB ', 138.166, 239.3, 222.588], ['A', '2HB ', 139.828, 239.28, 223.218], ['A', '3HB ', 138.463, 238.891, 224.286]]
[['A', ' N ', 136.399, 241.737, 223.238], ['A', ' CA ', 134.981, 241.978, 223.409], ['A', ' C ', 134.226, 240.655, 223.346], ['A', ' O ', 133.445, 240.409, 222.428], ['A', ' CB ', 134.668, 242.889, 222.229], ['A', ' CG ', 135.619, 242.424, 221.146], ['A', ' CD ', 136.903, 242.064, 221.877], ['A', ' HA ', 134.811, 242.486, 224.366], ['A', '1HB ', 133.616, 242.8, 221.947], ['A', '2HB ', 134.831, 243.941, 222.522], ['A', '1HG ', 135.191, 241.56, 220.611], ['A', '2HG ', 135.775, 243.213, 220.396], ['A', '1HD ', 137.353, 241.188, 221.397], ['A', '2HD ', 137.575, 242.934, 221.899]]
[['A', ' N ', 134.512, 239.773, 224.297], ['A', ' CA ', 133.905, 238.452, 224.299], ['A', ' C ', 132.512, 238.405, 224.936], ['A', ' O ', 131.756, 237.462, 224.701], ['A', ' CB ', 134.834, 237.456, 224.987], ['A', ' CG ', 135.152, 237.765, 226.431], ['A', ' CD1', 136.228, 238.452, 226.906], ['A', ' CD2', 134.394, 237.364, 227.606], ['A', ' NE1', 136.188, 238.529, 228.271], ['A', ' CE2', 135.071, 237.864, 228.72], ['A', ' CE3', 133.216, 236.632, 227.802], ['A', ' CZ2', 134.61, 237.66, 230.012], ['A', ' CZ3', 132.755, 236.434, 229.091], ['A', ' CH2', 133.436, 236.935, 230.169], ['A', ' H ', 135.178, 240.051, 225.018], ['A', ' HA ', 133.808, 238.14, 223.257], ['A', '1HB ', 134.398, 236.466, 224.927], ['A', '2HB ', 135.775, 237.434, 224.445], ['A', ' HD1', 137.016, 238.881, 226.292], ['A', ' HE1', 136.871, 238.989, 228.855], ['A', ' HE3', 132.662, 236.234, 226.95], ['A', ' HZ2', 135.14, 238.049, 230.885], ['A', ' HZ3', 131.83, 235.875, 229.225], ['A', ' HH2', 133.038, 236.76, 231.169]]
[['A', ' N ', 132.173, 239.409, 225.747], ['A', ' CA ', 130.88, 239.47, 226.428], ['A', ' C ', 130.061, 240.604, 225.828], ['A', ' O ', 130.443, 241.767, 225.962], ['A', ' CB ', 131.049, 239.704, 227.934], ['A', ' CG ', 129.725, 239.809, 228.728], ['A', ' CD ', 128.936, 238.504, 228.789], ['A', ' OE1', 129.483, 237.513, 229.198], ['A', ' OE2', 127.781, 238.512, 228.421], ['A', ' H ', 132.84, 240.144, 225.927], ['A', ' HA ', 130.349, 238.53, 226.274], ['A', '1HB ', 131.619, 238.902, 228.362], ['A', '2HB ', 131.616, 240.623, 228.097], ['A', '1HG ', 129.952, 240.125, 229.746], ['A', '2HG ', 129.102, 240.58, 228.28]]
[['A', ' N ', 128.946, 240.266, 225.167], ['A', ' CA ', 128.113, 241.252, 224.468], ['A', ' C ', 126.938, 240.662, 223.687], ['A', ' O ', 127.141, 239.526, 223.26], ['A', ' CB ', 128.968, 242.074, 223.505], ['A', ' CG ', 129.685, 241.258, 222.447], ['A', ' CD ', 130.578, 242.097, 221.636], ['A', ' NE ', 131.422, 241.277, 220.764], ['A', ' CZ ', 131.123, 240.841, 219.511], ['A', ' NH1', 129.986, 241.177, 218.922], ['A', ' NH2', 131.986, 240.067, 218.866], ['A', ' H ', 128.69, 239.286, 225.13], ['A', ' HA ', 127.706, 241.931, 225.218], ['A', '1HB ', 128.3, 242.725, 222.957], ['A', '2HB ', 129.676, 242.716, 224.008], ['A', '1HG ', 130.297, 240.489, 222.921], ['A', '2HG ', 128.964, 240.792, 221.787], ['A', '1HD ', 129.992, 242.781, 221.029], ['A', '2HD ', 131.224, 242.665, 222.304], ['A', ' HE ', 132.31, 240.97, 221.184], ['A', '1HH1', 129.324, 241.764, 219.396], ['A', '2HH1', 129.785, 240.844, 217.989], ['A', '1HH2', 132.861, 239.796, 219.307], ['A', '2HH2', 131.776, 239.737, 217.939]]
[['A', ' N ', 125.777, 240.942, 224.287], ['A', ' CA ', 124.588, 241.28, 223.484], ['A', ' C ', 123.748, 240.128, 222.92], ['A', ' O ', 124.251, 239.194, 222.298], ['A', ' CB ', 124.978, 242.234, 222.347], ['A', ' CG ', 125.394, 243.624, 222.825], ['A', ' CD ', 124.235, 244.401, 223.402], ['A', ' OE1', 123.13, 244.198, 222.953], ['A', ' OE2', 124.448, 245.17, 224.309], ['A', ' H ', 125.563, 240.273, 225.01], ['A', ' HA ', 123.928, 241.847, 224.132], ['A', '1HB ', 125.778, 241.807, 221.751], ['A', '2HB ', 124.122, 242.361, 221.687], ['A', '1HG ', 126.148, 243.532, 223.599], ['A', '2HG ', 125.828, 244.172, 221.995]]
[['A', ' N ', 122.438, 240.233, 223.167], ['A', ' CA ', 121.409, 239.282, 222.72], ['A', ' C ', 121.619, 237.81, 223.128], ['A', ' O ', 120.896, 237.033, 222.501], ['A', ' CB ', 121.299, 239.328, 221.198], ['A', ' CG ', 121.222, 240.743, 220.542], ['A', ' CD ', 120.048, 241.544, 221.005], ['A', ' NE ', 118.788, 240.891, 220.637], ['A', ' CZ ', 117.639, 240.918, 221.356], ['A', ' NH1', 117.561, 241.583, 222.492], ['A', ' NH2', 116.584, 240.247, 220.919], ['A', ' H ', 122.139, 241.052, 223.681], ['A', ' HA ', 120.456, 239.606, 223.128], ['A', '1HB ', 122.16, 238.825, 220.766], ['A', '2HB ', 120.417, 238.766, 220.89], ['A', '1HG ', 122.13, 241.299, 220.757], ['A', '2HG ', 121.129, 240.618, 219.467], ['A', '1HD ', 120.092, 241.674, 222.078], ['A', '2HD ', 120.082, 242.526, 220.524], ['A', ' HE ', 118.777, 240.36, 219.775], ['A', '1HH1', 118.35, 242.095, 222.842], ['A', '2HH1', 116.69, 241.579, 223.021], ['A', '1HH2', 116.63, 239.723, 220.06], ['A', '2HH2', 115.728, 240.186, 221.496]]
[['A', ' N ', 121.74, 237.509, 224.442], ['A', ' CA ', 120.942, 238.012, 225.602], ['A', ' C ', 119.41, 237.857, 225.474], ['A', ' O ', 118.68, 238.42, 226.296], ['A', ' CB ', 121.197, 239.472, 226.014], ['A', ' CG ', 122.593, 239.845, 226.5], ['A', ' CD ', 122.64, 241.297, 226.827], ['A', ' NE ', 123.968, 241.745, 227.257], ['A', ' CZ ', 124.38, 243.037, 227.256], ['A', ' NH1', 123.586, 243.987, 226.819], ['A', ' NH2', 125.591, 243.349, 227.684], ['A', ' H ', 122.724, 237.496, 224.69], ['A', ' HA ', 121.241, 237.42, 226.468], ['A', '1HB ', 120.863, 240.165, 225.282], ['A', '2HB ', 120.564, 239.662, 226.878], ['A', '1HG ', 122.821, 239.294, 227.406], ['A', '2HG ', 123.337, 239.628, 225.747], ['A', '1HD ', 122.353, 241.866, 225.947], ['A', '2HD ', 121.933, 241.503, 227.635], ['A', ' HE ', 124.615, 241.049, 227.613], ['A', '1HH1', 122.67, 243.769, 226.469], ['A', '2HH1', 123.907, 244.946, 226.794], ['A', '1HH2', 126.213, 242.628, 228.023], ['A', '2HH2', 125.893, 244.311, 227.671]]
[['A', ' N ', 118.902, 237.118, 224.485], ['A', ' CA ', 117.445, 236.97, 224.357], ['A', ' C ', 117.001, 235.642, 223.737], ['A', ' O ', 117.138, 235.457, 222.522], ['A', ' CB ', 116.882, 238.125, 223.514], ['A', ' CG ', 115.315, 238.181, 223.429], ['A', ' OD1', 114.681, 237.322, 223.99], ['A', ' OD2', 114.789, 239.093, 222.781], ['A', ' H ', 119.539, 236.7, 223.8], ['A', ' HA ', 117.006, 237.029, 225.353], ['A', '1HB ', 117.248, 239.06, 223.925], ['A', '2HB ', 117.278, 238.028, 222.506]]
[['A', ' N ', 116.494, 234.718, 224.563], ['A', ' CA ', 116.039, 233.394, 224.115], ['A', ' C ', 115.583, 232.534, 225.291], ['A', ' O ', 116.201, 232.746, 226.334], ['A', ' CB ', 117.142, 232.638, 223.378], ['A', ' H ', 116.409, 234.955, 225.541], ['A', ' HA ', 115.187, 233.542, 223.454], ['A', '1HB ', 116.745, 231.674, 223.06], ['A', '2HB ', 117.483, 233.175, 222.506], ['A', '3HB ', 117.986, 232.48, 224.052]]
[['A', ' N ', 114.257, 232.439, 225.334], ['A', ' CA ', 113.608, 231.192, 225.738], ['A', ' C ', 112.136, 231.247, 225.356], ['A', ' O ', 111.499, 232.284, 225.537], ['A', ' CB ', 113.75, 230.962, 227.225], ['A', ' OG ', 113.094, 229.793, 227.616], ['A', ' H ', 113.813, 233.224, 225.783], ['A', ' HA ', 114.072, 230.359, 225.205], ['A', '1HB ', 114.809, 230.891, 227.489], ['A', '2HB ', 113.342, 231.811, 227.765], ['A', ' HG ', 113.302, 229.672, 228.548]]
[['A', ' N ', 111.584, 230.131, 224.855], ['A', ' CA ', 110.16, 230.035, 224.515], ['A', ' C ', 109.805, 228.664, 223.972], ['A', ' O ', 110.633, 227.773, 224.2], ['A', ' CB ', 109.758, 231.097, 223.47], ['A', ' CG ', 110.464, 230.966, 222.124], ['A', ' CD ', 110.101, 232.097, 221.196], ['A', ' OE1', 109.448, 233.006, 221.653], ['A', ' OE2', 110.48, 232.066, 220.048], ['A', ' H ', 112.164, 229.313, 224.73], ['A', ' HA ', 109.573, 230.207, 225.418], ['A', '1HB ', 108.7, 230.975, 223.257], ['A', '2HB ', 109.89, 232.099, 223.845], ['A', '1HG ', 111.539, 230.973, 222.288], ['A', '2HG ', 110.196, 230.013, 221.661]]
[['A', ' N ', 108.507, 228.403, 224.127], ['A', ' CA ', 107.751, 227.671, 223.094], ['A', ' C ', 108.643, 226.755, 222.259], ['A', ' O ', 109.328, 227.269, 221.359], ['A', ' CB ', 106.995, 228.632, 222.172], ['A', ' CG ', 105.931, 229.489, 222.883], ['A', ' CD ', 105.083, 230.332, 221.932], ['A', ' OE1', 105.316, 230.288, 220.747], ['A', ' OE2', 104.206, 231.02, 222.406], ['A', ' H ', 108.285, 228.043, 225.046], ['A', ' HA ', 107.018, 227.041, 223.593], ['A', '1HB ', 107.687, 229.31, 221.684], ['A', '2HB ', 106.488, 228.066, 221.39], ['A', '1HG ', 105.27, 228.832, 223.443], ['A', '2HG ', 106.431, 230.143, 223.595]]
[['A', ' N ', 109.175, 225.754, 222.942], ['A', ' CA ', 108.879, 224.441, 222.419], ['A', ' C ', 108.443, 223.416, 223.449], ['A', ' O ', 109.097, 223.249, 224.484], ['A', ' CB ', 110.042, 223.959, 221.543], ['A', ' OG1', 110.169, 224.884, 220.426], ['A', ' CG2', 109.827, 222.51, 221.017], ['A', ' H ', 110.151, 225.931, 223.266], ['A', ' HA ', 108.028, 224.557, 221.758], ['A', ' HB ', 110.962, 223.991, 222.122], ['A', ' HG1', 110.181, 225.82, 220.76], ['A', '1HG2', 110.676, 222.238, 220.399], ['A', '2HG2', 109.746, 221.82, 221.848], ['A', '3HG2', 108.915, 222.472, 220.419]]
[['A', ' N ', 107.336, 222.745, 223.11], ['A', ' CA ', 107.314, 221.785, 224.229], ['A', ' C ', 106.647, 220.525, 223.723], ['A', ' O ', 105.559, 220.577, 223.135], ['A', ' CB ', 106.525, 222.305, 225.424], ['A', ' OG ', 106.452, 221.343, 226.438], ['A', ' H ', 106.536, 222.113, 223.044], ['A', ' HA ', 108.301, 221.466, 224.539], ['A', '1HB ', 106.999, 223.209, 225.82], ['A', '2HB ', 105.517, 222.588, 225.115], ['A', ' HG ', 106.076, 221.776, 227.209]]
[['A', ' N ', 107.327, 219.397, 223.889], ['A', ' CA ', 106.816, 218.104, 223.436], ['A', ' C ', 107.573, 216.942, 224.044], ['A', ' O ', 108.253, 217.231, 225.033], ['A', ' CB ', 106.884, 218.01, 221.887], ['A', ' OG1', 106.34, 216.756, 221.468], ['A', ' CG2', 108.318, 218.131, 221.404], ['A', ' H ', 108.212, 219.428, 224.376], ['A', ' HA ', 105.773, 218.032, 223.734], ['A', ' HB ', 106.296, 218.809, 221.447], ['A', ' HG1', 105.39, 216.75, 221.642], ['A', '1HG2', 108.33, 218.067, 220.315], ['A', '2HG2', 108.728, 219.098, 221.707], ['A', '3HG2', 108.926, 217.337, 221.816]]
[['A', ' N ', 106.817, 215.836, 224.078], ['A', ' CA ', 107.46, 214.535, 223.878], ['A', ' C ', 106.453, 213.531, 223.333], ['A', ' O ', 105.286, 213.544, 223.737], ['A', ' CB ', 108.054, 214.023, 225.168], ['A', ' OG ', 108.644, 212.768, 224.968], ['A', ' H ', 106.191, 215.809, 224.868], ['A', ' HA ', 108.256, 214.652, 223.14], ['A', '1HB ', 108.8, 214.725, 225.528], ['A', '2HB ', 107.273, 213.947, 225.92], ['A', ' HG ', 109.031, 212.53, 225.816]]
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[['A', ' N ', 132.329, 138.803, 196.62], ['A', ' CA ', 131.879, 139.294, 197.915], ['A', ' C ', 132.587, 140.595, 198.285], ['A', ' O ', 133.581, 140.568, 199.016], ['A', ' CB ', 132.101, 138.248, 199.002], ['A', ' SG ', 131.187, 136.743, 198.716], ['A', ' H ', 133.318, 138.672, 196.45], ['A', ' HA ', 130.806, 139.451, 197.866], ['A', '1HB ', 133.156, 138.003, 199.094], ['A', '2HB ', 131.774, 138.648, 199.947], ['A', ' HG ', 130.229, 137.335, 197.991]]
[['A', ' N ', 132.088, 141.766, 197.842], ['A', ' CA ', 132.724, 143.071, 197.966], ['A', ' C ', 132.513, 143.603, 199.379], ['A', ' O ', 131.918, 144.669, 199.561], ['A', ' CB ', 131.929, 143.887, 196.935], ['A', ' CG ', 130.531, 143.309, 197.003], ['A', ' CD ', 130.719, 141.82, 197.249], ['A', ' HA ', 133.791, 143.003, 197.71], ['A', '1HB ', 131.934, 144.947, 197.181], ['A', '2HB ', 132.386, 143.781, 195.946], ['A', '1HG ', 129.975, 143.807, 197.813], ['A', '2HG ', 129.986, 143.523, 196.078], ['A', '1HD ', 129.96, 141.506, 197.985], ['A', '2HD ', 130.64, 141.25, 196.317]]
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[['A', ' N ', 132.227, 148.319, 203.212], ['A', ' CA ', 132.573, 149.085, 204.397], ['A', ' C ', 133.214, 150.421, 204.038], ['A', ' O ', 132.858, 151.458, 204.611], ['A', ' CB ', 133.557, 148.278, 205.247], ['A', ' CG ', 132.966, 147.048, 205.88], ['A', ' CD ', 134.01, 146.202, 206.573], ['A', ' OE1', 135.219, 146.39, 206.379], ['A', ' NE2', 133.554, 145.257, 207.385], ['A', ' H ', 132.651, 147.398, 203.046], ['A', ' HA ', 131.667, 149.284, 204.966], ['A', '1HB ', 134.39, 147.966, 204.62], ['A', '2HB ', 133.956, 148.908, 206.037], ['A', '1HG ', 132.225, 147.355, 206.614], ['A', '2HG ', 132.495, 146.447, 205.107], ['A', '1HE2', 134.194, 144.661, 207.87], ['A', '2HE2', 132.57, 145.135, 207.516]]
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[['A', ' N ', 144.722, 244.247, 225.688], ['A', ' CA ', 144.11, 243.04, 225.172], ['A', ' C ', 143.066, 242.515, 226.147], ['A', ' O ', 143.565, 242.086, 227.191], ['A', ' CB ', 145.185, 241.999, 224.879], ['A', ' CG ', 146.247, 242.453, 223.851], ['A', ' CD1', 147.476, 242.96, 224.275], ['A', ' CD2', 145.983, 242.353, 222.494], ['A', ' CE1', 148.423, 243.343, 223.354], ['A', ' CE2', 146.937, 242.739, 221.573], ['A', ' CZ ', 148.153, 243.225, 221.997], ['A', ' OH ', 149.105, 243.6, 221.07], ['A', ' H ', 144.984, 244.261, 226.664], ['A', ' HA ', 143.59, 243.284, 224.242], ['A', '1HB ', 145.7, 241.749, 225.805], ['A', '2HB ', 144.714, 241.089, 224.509], ['A', ' HD1', 147.695, 243.054, 225.338], ['A', ' HD2', 145.027, 241.962, 222.149], ['A', ' HE1', 149.384, 243.733, 223.694], ['A', ' HE2', 146.734, 242.656, 220.507], ['A', ' HH ', 149.892, 243.913, 221.525]]
[['A', ' N ', 142.012, 243.333, 226.222], ['A', ' CA ', 140.726, 242.686, 226.543], ['A', ' C ', 139.848, 242.514, 225.309], ['A', ' O ', 139.498, 243.481, 224.643], ['A', ' CB ', 139.934, 243.49, 227.624], ['A', ' CG1', 140.765, 243.547, 228.963], ['A', ' CG2', 138.517, 242.847, 227.848], ['A', ' CD1', 140.259, 244.535, 230.002], ['A', ' H ', 142.16, 244.21, 226.746], ['A', ' HA ', 140.931, 241.685, 226.931], ['A', ' HB ', 139.819, 244.521, 227.287], ['A', '1HG1', 140.777, 242.551, 229.408], ['A', '2HG1', 141.793, 243.838, 228.741], ['A', '1HG2', 137.964, 243.411, 228.588], ['A', '2HG2', 137.92, 242.836, 226.923], ['A', '3HG2', 138.63, 241.821, 228.202], ['A', '1HD1', 140.913, 244.493, 230.878], ['A', '2HD1', 140.292, 245.55, 229.575], ['A', '3HD1', 139.242, 244.317, 230.323]]
[['A', ' N ', 139.524, 241.259, 224.987], ['A', ' CA ', 138.681, 240.97, 223.84], ['A', ' C ', 137.228, 241.293, 224.187], ['A', ' O ', 136.788, 240.979, 225.297], ['A', ' CB ', 138.789, 239.51, 223.452], ['A', ' H ', 139.861, 240.496, 225.564], ['A', ' HA ', 139.024, 241.591, 223.018], ['A', '1HB ', 138.166, 239.3, 222.588], ['A', '2HB ', 139.828, 239.28, 223.218], ['A', '3HB ', 138.463, 238.891, 224.286]]
[['A', ' N ', 136.399, 241.737, 223.238], ['A', ' CA ', 134.981, 241.978, 223.409], ['A', ' C ', 134.226, 240.655, 223.346], ['A', ' O ', 133.445, 240.409, 222.428], ['A', ' CB ', 134.668, 242.889, 222.229], ['A', ' CG ', 135.619, 242.424, 221.146], ['A', ' CD ', 136.903, 242.064, 221.877], ['A', ' HA ', 134.811, 242.486, 224.366], ['A', '1HB ', 133.616, 242.8, 221.947], ['A', '2HB ', 134.831, 243.941, 222.522], ['A', '1HG ', 135.191, 241.56, 220.611], ['A', '2HG ', 135.775, 243.213, 220.396], ['A', '1HD ', 137.353, 241.188, 221.397], ['A', '2HD ', 137.575, 242.934, 221.899]]
[['A', ' N ', 134.512, 239.773, 224.297], ['A', ' CA ', 133.905, 238.452, 224.299], ['A', ' C ', 132.512, 238.405, 224.936], ['A', ' O ', 131.756, 237.462, 224.701], ['A', ' CB ', 134.834, 237.456, 224.987], ['A', ' CG ', 135.152, 237.765, 226.431], ['A', ' CD1', 136.228, 238.452, 226.906], ['A', ' CD2', 134.394, 237.364, 227.606], ['A', ' NE1', 136.188, 238.529, 228.271], ['A', ' CE2', 135.071, 237.864, 228.72], ['A', ' CE3', 133.216, 236.632, 227.802], ['A', ' CZ2', 134.61, 237.66, 230.012], ['A', ' CZ3', 132.755, 236.434, 229.091], ['A', ' CH2', 133.436, 236.935, 230.169], ['A', ' H ', 135.178, 240.051, 225.018], ['A', ' HA ', 133.808, 238.14, 223.257], ['A', '1HB ', 134.398, 236.466, 224.927], ['A', '2HB ', 135.775, 237.434, 224.445], ['A', ' HD1', 137.016, 238.881, 226.292], ['A', ' HE1', 136.871, 238.989, 228.855], ['A', ' HE3', 132.662, 236.234, 226.95], ['A', ' HZ2', 135.14, 238.049, 230.885], ['A', ' HZ3', 131.83, 235.875, 229.225], ['A', ' HH2', 133.038, 236.76, 231.169]]
[['A', ' N ', 132.173, 239.409, 225.747], ['A', ' CA ', 130.88, 239.47, 226.428], ['A', ' C ', 130.061, 240.604, 225.828], ['A', ' O ', 130.443, 241.767, 225.962], ['A', ' CB ', 131.049, 239.704, 227.934], ['A', ' CG ', 129.725, 239.809, 228.728], ['A', ' CD ', 128.936, 238.504, 228.789], ['A', ' OE1', 129.483, 237.513, 229.198], ['A', ' OE2', 127.781, 238.512, 228.421], ['A', ' H ', 132.84, 240.144, 225.927], ['A', ' HA ', 130.349, 238.53, 226.274], ['A', '1HB ', 131.619, 238.902, 228.362], ['A', '2HB ', 131.616, 240.623, 228.097], ['A', '1HG ', 129.952, 240.125, 229.746], ['A', '2HG ', 129.102, 240.58, 228.28]]
[['A', ' N ', 128.946, 240.266, 225.167], ['A', ' CA ', 128.113, 241.252, 224.468], ['A', ' C ', 126.938, 240.662, 223.687], ['A', ' O ', 127.141, 239.526, 223.26], ['A', ' CB ', 128.968, 242.074, 223.505], ['A', ' CG ', 129.685, 241.258, 222.447], ['A', ' CD ', 130.578, 242.097, 221.636], ['A', ' NE ', 131.422, 241.277, 220.764], ['A', ' CZ ', 131.123, 240.841, 219.511], ['A', ' NH1', 129.986, 241.177, 218.922], ['A', ' NH2', 131.986, 240.067, 218.866], ['A', ' H ', 128.69, 239.286, 225.13], ['A', ' HA ', 127.706, 241.931, 225.218], ['A', '1HB ', 128.3, 242.725, 222.957], ['A', '2HB ', 129.676, 242.716, 224.008], ['A', '1HG ', 130.297, 240.489, 222.921], ['A', '2HG ', 128.964, 240.792, 221.787], ['A', '1HD ', 129.992, 242.781, 221.029], ['A', '2HD ', 131.224, 242.665, 222.304], ['A', ' HE ', 132.31, 240.97, 221.184], ['A', '1HH1', 129.324, 241.764, 219.396], ['A', '2HH1', 129.785, 240.844, 217.989], ['A', '1HH2', 132.861, 239.796, 219.307], ['A', '2HH2', 131.776, 239.737, 217.939]]
[['A', ' N ', 125.777, 240.942, 224.287], ['A', ' CA ', 124.588, 241.28, 223.484], ['A', ' C ', 123.748, 240.128, 222.92], ['A', ' O ', 124.251, 239.194, 222.298], ['A', ' CB ', 124.978, 242.234, 222.347], ['A', ' CG ', 125.394, 243.624, 222.825], ['A', ' CD ', 124.235, 244.401, 223.402], ['A', ' OE1', 123.13, 244.198, 222.953], ['A', ' OE2', 124.448, 245.17, 224.309], ['A', ' H ', 125.563, 240.273, 225.01], ['A', ' HA ', 123.928, 241.847, 224.132], ['A', '1HB ', 125.778, 241.807, 221.751], ['A', '2HB ', 124.122, 242.361, 221.687], ['A', '1HG ', 126.148, 243.532, 223.599], ['A', '2HG ', 125.828, 244.172, 221.995]]
[['A', ' N ', 122.438, 240.233, 223.167], ['A', ' CA ', 121.409, 239.282, 222.72], ['A', ' C ', 121.619, 237.81, 223.128], ['A', ' O ', 120.896, 237.033, 222.501], ['A', ' CB ', 121.299, 239.328, 221.198], ['A', ' CG ', 121.222, 240.743, 220.542], ['A', ' CD ', 120.048, 241.544, 221.005], ['A', ' NE ', 118.788, 240.891, 220.637], ['A', ' CZ ', 117.639, 240.918, 221.356], ['A', ' NH1', 117.561, 241.583, 222.492], ['A', ' NH2', 116.584, 240.247, 220.919], ['A', ' H ', 122.139, 241.052, 223.681], ['A', ' HA ', 120.456, 239.606, 223.128], ['A', '1HB ', 122.16, 238.825, 220.766], ['A', '2HB ', 120.417, 238.766, 220.89], ['A', '1HG ', 122.13, 241.299, 220.757], ['A', '2HG ', 121.129, 240.618, 219.467], ['A', '1HD ', 120.092, 241.674, 222.078], ['A', '2HD ', 120.082, 242.526, 220.524], ['A', ' HE ', 118.777, 240.36, 219.775], ['A', '1HH1', 118.35, 242.095, 222.842], ['A', '2HH1', 116.69, 241.579, 223.021], ['A', '1HH2', 116.63, 239.723, 220.06], ['A', '2HH2', 115.728, 240.186, 221.496]]
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[['A', ' N ', 118.902, 237.118, 224.485], ['A', ' CA ', 117.445, 236.97, 224.357], ['A', ' C ', 117.001, 235.642, 223.737], ['A', ' O ', 117.138, 235.457, 222.522], ['A', ' CB ', 116.882, 238.125, 223.514], ['A', ' CG ', 115.315, 238.181, 223.429], ['A', ' OD1', 114.681, 237.322, 223.99], ['A', ' OD2', 114.789, 239.093, 222.781], ['A', ' H ', 119.539, 236.7, 223.8], ['A', ' HA ', 117.006, 237.029, 225.353], ['A', '1HB ', 117.248, 239.06, 223.925], ['A', '2HB ', 117.278, 238.028, 222.506]]
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[['A', ' N ', 118.137, 143.886, 188.737], ['A', ' CA ', 118.177, 142.535, 188.214], ['A', ' C ', 119.052, 142.41, 186.987], ['A', ' O ', 119.587, 143.404, 186.501], ['A', ' CB ', 116.745, 142.169, 187.852], ['A', ' CG ', 115.796, 142.137, 189.053], ['A', ' OD1', 115.14, 143.145, 189.441], ['A', ' ND2', 115.708, 140.976, 189.644], ['A', ' H ', 118.168, 144.667, 188.096], ['A', ' HA ', 118.575, 141.866, 188.976], ['A', '1HB ', 116.375, 142.887, 187.123], ['A', '2HB ', 116.728, 141.195, 187.381], ['A', '1HD2', 115.114, 140.856, 190.438], ['A', '2HD2', 116.241, 140.205, 189.296]]
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[['A', ' N ', 122.069, 140.098, 186.003], ['A', ' CA ', 123.514, 140.148, 186.208], ['A', ' C ', 124.013, 138.851, 186.852], ['A', ' O ', 124.648, 138.987, 187.897], ['A', ' CB ', 123.888, 141.335, 187.096], ['A', ' H ', 121.556, 139.323, 186.382], ['A', ' HA ', 123.995, 140.248, 185.243], ['A', '1HB ', 124.969, 141.348, 187.213], ['A', '2HB ', 123.567, 142.268, 186.64], ['A', '3HB ', 123.418, 141.235, 188.073]]
[['A', ' N ', 123.108, 137.868, 186.786], ['A', ' CA ', 123.536, 136.558, 186.309], ['A', ' C ', 125.003, 136.496, 185.865], ['A', ' O ', 125.356, 137.151, 184.885], ['A', ' CB ', 122.661, 136.125, 185.137], ['A', ' CG ', 122.968, 134.764, 184.558], ['A', ' CD ', 122.02, 134.4, 183.49], ['A', ' NE ', 122.342, 133.104, 182.906], ['A', ' CZ ', 121.701, 132.534, 181.859], ['A', ' NH1', 120.696, 133.148, 181.267], ['A', ' NH2', 122.1, 131.352, 181.419], ['A', ' H ', 122.509, 137.809, 187.597], ['A', ' HA ', 123.396, 135.846, 187.122], ['A', '1HB ', 121.619, 136.115, 185.444], ['A', '2HB ', 122.758, 136.852, 184.327], ['A', '1HG ', 123.939, 134.803, 184.091], ['A', '2HG ', 122.957, 133.996, 185.33], ['A', '1HD ', 121.015, 134.358, 183.9], ['A', '2HD ', 122.068, 135.154, 182.703], ['A', ' HE ', 123.104, 132.587, 183.324], ['A', '1HH1', 120.388, 134.051, 181.592], ['A', '2HH1', 120.23, 132.712, 180.484], ['A', '1HH2', 122.868, 130.876, 181.872], ['A', '2HH2', 121.631, 130.917, 180.638]]
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[['A', ' N ', 184.454, 173.749, 192.898], ['A', ' CA ', 183.871, 172.437, 192.613], ['A', ' C ', 183.611, 172.258, 191.119], ['A', ' O ', 183.889, 171.187, 190.561], ['A', ' CB ', 182.555, 172.287, 193.385], ['A', ' CG ', 182.704, 172.17, 194.893], ['A', ' CD ', 181.363, 172.27, 195.575], ['A', ' OE1', 180.382, 172.612, 194.918], ['A', ' NE2', 181.302, 171.977, 196.869], ['A', ' H ', 183.946, 174.419, 193.49], ['A', ' HA ', 184.565, 171.667, 192.937], ['A', '1HB ', 181.941, 173.163, 193.183], ['A', '2HB ', 182.014, 171.421, 193.02], ['A', '1HG ', 183.134, 171.185, 195.112], ['A', '2HG ', 183.359, 172.953, 195.26], ['A', '1HE2', 180.43, 172.037, 197.353], ['A', '2HE2', 182.129, 171.7, 197.366]]
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[['A', ' N ', 165.023, 174.954, 189.429], ['A', ' CA ', 164.626, 174.163, 190.578], ['A', ' C ', 165.682, 174.159, 191.673], ['A', ' O ', 165.353, 174.343, 192.848], ['A', ' CB ', 164.335, 172.723, 190.115], ['A', ' CG ', 163.651, 171.818, 191.162], ['A', ' OD1', 162.547, 172.136, 191.58], ['A', ' OD2', 164.217, 170.815, 191.527], ['A', ' H ', 165.234, 174.444, 188.566], ['A', ' HA ', 163.712, 174.589, 190.99], ['A', '1HB ', 163.704, 172.761, 189.225], ['A', '2HB ', 165.275, 172.26, 189.808]]
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[['A', ' N ', 167.263, 176.351, 202.82], ['A', ' CA ', 167.199, 177.631, 203.473], ['A', ' C ', 166.386, 178.606, 202.645], ['A', ' O ', 165.616, 179.401, 203.188], ['A', ' CB ', 168.594, 178.169, 203.704], ['A', ' H ', 168.124, 175.967, 202.453], ['A', ' HA ', 166.698, 177.501, 204.432], ['A', '1HB ', 168.53, 179.127, 204.215], ['A', '2HB ', 169.153, 177.464, 204.313], ['A', '3HB ', 169.095, 178.299, 202.745]]
[['A', ' N ', 166.547, 178.54, 201.319], ['A', ' CA ', 165.844, 179.457, 200.444], ['A', ' C ', 164.358, 179.162, 200.462], ['A', ' O ', 163.538, 180.089, 200.505], ['A', ' CB ', 166.41, 179.39, 199.039], ['A', ' CG ', 165.945, 180.45, 198.035], ['A', ' CD1', 167.079, 180.719, 197.056], ['A', ' CD2', 164.76, 179.942, 197.281], ['A', ' H ', 167.205, 177.864, 200.926], ['A', ' HA ', 165.99, 180.466, 200.823], ['A', '1HB ', 167.495, 179.41, 199.094], ['A', '2HB ', 166.093, 178.443, 198.627], ['A', ' HG ', 165.688, 181.372, 198.547], ['A', '1HD1', 166.763, 181.461, 196.328], ['A', '2HD1', 167.948, 181.09, 197.599], ['A', '3HD1', 167.338, 179.794, 196.551], ['A', '1HD2', 164.458, 180.681, 196.541], ['A', '2HD2', 165.066, 179.05, 196.801], ['A', '3HD2', 163.923, 179.733, 197.92]]
[['A', ' N ', 164.002, 177.876, 200.399], ['A', ' CA ', 162.62, 177.439, 200.412], ['A', ' C ', 161.928, 177.805, 201.72], ['A', ' O ', 160.767, 178.244, 201.704], ['A', ' CB ', 162.567, 175.936, 200.225], ['A', ' H ', 164.716, 177.154, 200.334], ['A', ' HA ', 162.099, 177.935, 199.594], ['A', '1HB ', 161.534, 175.602, 200.215], ['A', '2HB ', 163.051, 175.665, 199.29], ['A', '3HB ', 163.1, 175.463, 201.052]]
[['A', ' N ', 162.635, 177.667, 202.856], ['A', ' CA ', 162.035, 178.003, 204.132], ['A', ' C ', 161.862, 179.512, 204.251], ['A', ' O ', 160.803, 179.97, 204.69], ['A', ' CB ', 162.874, 177.432, 205.274], ['A', ' CG ', 162.823, 175.893, 205.361], ['A', ' CD ', 163.753, 175.312, 206.395], ['A', ' OE1', 164.444, 176.065, 207.039], ['A', ' OE2', 163.78, 174.11, 206.529], ['A', ' H ', 163.578, 177.264, 202.848], ['A', ' HA ', 161.05, 177.549, 204.179], ['A', '1HB ', 163.915, 177.735, 205.145], ['A', '2HB ', 162.522, 177.835, 206.221], ['A', '1HG ', 161.807, 175.603, 205.621], ['A', '2HG ', 163.04, 175.461, 204.387]]
[['A', ' N ', 162.86, 180.287, 203.803], ['A', ' CA ', 162.811, 181.743, 203.818], ['A', ' C ', 161.645, 182.243, 202.989], ['A', ' O ', 160.863, 183.087, 203.42], ['A', ' CB ', 164.106, 182.316, 203.256], ['A', ' CG ', 164.169, 183.811, 203.134], ['A', ' CD1', 164.484, 184.577, 204.228], ['A', ' CD2', 163.941, 184.404, 201.918], ['A', ' CE1', 164.59, 185.934, 204.105], ['A', ' CE2', 164.041, 185.754, 201.798], ['A', ' CZ ', 164.374, 186.52, 202.886], ['A', ' OH ', 164.51, 187.875, 202.768], ['A', ' H ', 163.727, 179.851, 203.479], ['A', ' HA ', 162.67, 182.079, 204.847], ['A', '1HB ', 164.941, 181.99, 203.882], ['A', '2HB ', 164.276, 181.893, 202.27], ['A', ' HD1', 164.666, 184.098, 205.187], ['A', ' HD2', 163.695, 183.797, 201.047], ['A', ' HE1', 164.854, 186.546, 204.973], ['A', ' HE2', 163.877, 186.223, 200.83], ['A', ' HH ', 164.235, 188.147, 201.888]]
[['A', ' N ', 161.525, 181.716, 201.776], ['A', ' CA ', 160.499, 182.184, 200.875], ['A', ' C ', 159.105, 181.904, 201.427], ['A', ' O ', 158.235, 182.789, 201.388], ['A', ' CB ', 160.685, 181.479, 199.542], ['A', ' OG ', 161.914, 181.82, 198.939], ['A', ' H ', 162.192, 181.019, 201.449], ['A', ' HA ', 160.613, 183.26, 200.742], ['A', '1HB ', 160.645, 180.4, 199.697], ['A', '2HB ', 159.865, 181.745, 198.876], ['A', ' HG ', 162.6, 181.332, 199.456]]
[['A', ' N ', 158.907, 180.705, 202.01], ['A', ' CA ', 157.615, 180.344, 202.565], ['A', ' C ', 157.324, 181.127, 203.846], ['A', ' O ', 156.16, 181.371, 204.178], ['A', ' CB ', 157.536, 178.851, 202.814], ['A', ' CG ', 156.186, 178.335, 203.291], ['A', ' CD ', 155.155, 178.429, 202.253], ['A', ' NE ', 154.337, 179.625, 202.389], ['A', ' CZ ', 153.408, 180.009, 201.496], ['A', ' NH1', 153.212, 179.291, 200.413], ['A', ' NH2', 152.685, 181.094, 201.695], ['A', ' H ', 159.654, 179.995, 202.005], ['A', ' HA ', 156.863, 180.601, 201.824], ['A', '1HB ', 157.813, 178.313, 201.907], ['A', '2HB ', 158.274, 178.589, 203.575], ['A', '1HG ', 156.297, 177.287, 203.56], ['A', '2HG ', 155.85, 178.889, 204.164], ['A', '1HD ', 155.644, 178.456, 201.286], ['A', '2HD ', 154.504, 177.557, 202.314], ['A', ' HE ', 154.472, 180.209, 203.229], ['A', '1HH1', 153.762, 178.459, 200.247], ['A', '2HH1', 152.52, 179.571, 199.733], ['A', '1HH2', 152.82, 181.681, 202.539], ['A', '2HH2', 151.992, 181.367, 201.023]]
[['A', ' N ', 158.378, 181.47, 204.586], ['A', ' CA ', 158.277, 182.243, 205.808], ['A', ' C ', 157.845, 183.664, 205.536], ['A', ' O ', 156.946, 184.18, 206.205], ['A', ' CB ', 159.646, 182.292, 206.497], ['A', ' CG ', 159.779, 183.127, 207.778], ['A', ' CD1', 158.859, 182.585, 208.87], ['A', ' CD2', 161.244, 183.109, 208.196], ['A', ' H ', 159.304, 181.141, 204.308], ['A', ' HA ', 157.545, 181.762, 206.45], ['A', '1HB ', 159.928, 181.273, 206.739], ['A', '2HB ', 160.364, 182.676, 205.793], ['A', ' HG ', 159.485, 184.159, 207.579], ['A', '1HD1', 158.969, 183.192, 209.766], ['A', '2HD1', 157.818, 182.629, 208.544], ['A', '3HD1', 159.126, 181.553, 209.092], ['A', '1HD2', 161.373, 183.713, 209.094], ['A', '2HD2', 161.559, 182.084, 208.398], ['A', '3HD2', 161.853, 183.523, 207.388]]
[['A', ' N ', 158.475, 184.309, 204.556], ['A', ' CA ', 158.104, 185.673, 204.245], ['A', ' C ', 156.694, 185.657, 203.737], ['A', ' O ', 155.871, 186.483, 204.125], ['A', ' CB ', 159.041, 186.257, 203.195], ['A', ' CG ', 160.255, 187.03, 203.687], ['A', ' CD1', 161.116, 186.184, 204.574], ['A', ' CD2', 161.017, 187.479, 202.477], ['A', ' H ', 159.237, 183.846, 204.05], ['A', ' HA ', 158.151, 186.274, 205.151], ['A', '1HB ', 159.422, 185.418, 202.601], ['A', '2HB ', 158.476, 186.894, 202.539], ['A', ' HG ', 159.932, 187.889, 204.273], ['A', '1HD1', 161.965, 186.769, 204.901], ['A', '2HD1', 160.551, 185.857, 205.446], ['A', '3HD1', 161.463, 185.318, 204.027], ['A', '1HD2', 161.893, 188.038, 202.77], ['A', '2HD2', 161.32, 186.605, 201.905], ['A', '3HD2', 160.375, 188.108, 201.863]]
[['A', ' N ', 156.392, 184.655, 202.926], ['A', ' CA ', 155.071, 184.463, 202.404], ['A', ' C ', 154.094, 184.177, 203.542], ['A', ' O ', 153.279, 183.249, 203.482], ['A', ' CB ', 155.09, 183.327, 201.421], ['A', ' H ', 157.128, 184.021, 202.612], ['A', ' HA ', 154.753, 185.38, 201.911], ['A', '1HB ', 154.118, 183.191, 201.024], ['A', '2HB ', 155.791, 183.562, 200.62], ['A', '3HB ', 155.407, 182.431, 201.927]]
daq_score_w9.pdb
daq_score_atom_w9.pdb
Please open it in pymol and visualize it by putting the following command to Pymol:
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spectrum b, red_white_blue, all, -1,1
----------------------------------------------------------------------------------------------------
gcc -std=c99 -o DAQscore_colab main.c chkcmdline.o mrc.o readpdb.o thread.o dp.o -lm -O3 -msse4.2 -msse -msse2 -msse3 -mmmx -ftree-vectorize -ftree-vectorizer-verbose=3 -ffast-math -march=native -funroll-loops -fopenmp
rank_002_alphafold2_ptm_model_2_seed_000_s2 existed
Origin: (0., 0., 0.)
Previous voxel size: 1.0
----------------------------------------------------------------------------------------------------
resizing finished!
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Finished processing model input!
0 batch processing time 1.210560
1 batch processing time 1.193387
2 batch processing time 1.196843
3 batch processing time 1.120326
4 batch processing time 1.140346
5 batch processing time 1.181119
6 batch processing time 1.196714
7 batch processing time 1.127492
8 batch processing time 1.187807
9 batch processing time 1.149695
10 batch processing time 1.180283
11 batch processing time 1.189614
12 batch processing time 1.166214
13 batch processing time 1.124718
14 batch processing time 1.115118
15 batch processing time 1.202187
16 batch processing time 1.145357
17 batch processing time 1.182590
18 batch processing time 1.185795
19 batch processing time 1.189543
20 batch processing time 1.132873
21 batch processing time 1.163223
22 batch processing time 1.122987
23 batch processing time 1.135294
24 batch processing time 1.178784
25 batch processing time 1.160711
26 batch processing time 1.139214
27 batch processing time 1.178839
28 batch processing time 1.151905
29 batch processing time 1.136107
30 batch processing time 1.144006
31 batch processing time 1.177067
32 batch processing time 1.160353
33 batch processing time 1.156817
34 batch processing time 1.182654
35 batch processing time 1.135214
36 batch processing time 1.203077
37 batch processing time 1.139637
38 batch processing time 1.185291
39 batch processing time 1.156525
40 batch processing time 1.159515
41 batch processing time 1.190616
42 batch processing time 1.142607
43 batch processing time 1.194260
44 batch processing time 1.174031
45 batch processing time 1.149390
46 batch processing time 1.172761
prediction.txt, please have a check!
exe_path
daq_raw_score.pdb
total different chains: {'A'}
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[['A', ' N ', 140.736, 199.066, 194.771], ['A', ' CA ', 141.967, 198.372, 195.08], ['A', ' C ', 143.117, 199.337, 195.076], ['A', ' O ', 144.053, 199.228, 195.871], ['A', ' CB ', 142.24, 197.281, 194.072], ['A', ' H ', 140.271, 198.904, 193.879], ['A', ' HA ', 141.876, 197.943, 196.078], ['A', '1HB ', 143.159, 196.782, 194.338], ['A', '2HB ', 141.424, 196.563, 194.071], ['A', '3HB ', 142.345, 197.713, 193.079]]
[['A', ' N ', 143.051, 200.298, 194.17], ['A', ' CA ', 144.112, 201.236, 194.032], ['A', ' C ', 143.863, 202.348, 194.988], ['A', ' O ', 144.793, 202.958, 195.499], ['A', ' CB ', 144.189, 201.677, 192.582], ['A', ' CG ', 144.583, 200.554, 191.588], ['A', ' CD1', 144.464, 201.051, 190.229], ['A', ' CD2', 146.015, 200.13, 191.792], ['A', ' H ', 142.237, 200.409, 193.568], ['A', ' HA ', 145.041, 200.766, 194.321], ['A', '1HB ', 143.195, 202.032, 192.289], ['A', '2HB ', 144.876, 202.497, 192.479], ['A', ' HG ', 143.919, 199.696, 191.718], ['A', '1HD1', 144.742, 200.265, 189.533], ['A', '2HD1', 143.448, 201.354, 190.043], ['A', '3HD1', 145.123, 201.892, 190.117], ['A', '1HD2', 146.239, 199.372, 191.058], ['A', '2HD2', 146.676, 200.964, 191.641], ['A', '3HD2', 146.168, 199.731, 192.788]]
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[['A', ' N ', 146.842, 203.251, 197.345], ['A', ' CA ', 147.326, 204.619, 197.359], ['A', ' C ', 147.307, 205.184, 198.762], ['A', ' O ', 148.265, 205.826, 199.196], ['A', ' CB ', 146.447, 205.498, 196.505], ['A', ' OG ', 146.909, 206.815, 196.513], ['A', ' H ', 146.034, 203.037, 196.771], ['A', ' HA ', 148.339, 204.636, 196.973], ['A', '1HB ', 146.425, 205.13, 195.499], ['A', '2HB ', 145.427, 205.464, 196.877], ['A', ' HG ', 146.293, 207.303, 195.965]]
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[['A', ' N ', 196.505, 209.738, 195.99], ['A', ' CA ', 196.053, 210.78, 196.926], ['A', ' C ', 194.583, 211.281, 196.89], ['A', ' O ', 194.373, 212.451, 196.568], ['A', ' CB ', 196.975, 211.949, 196.545], ['A', ' CG ', 197.183, 211.795, 195.074], ['A', ' CD ', 197.251, 210.303, 194.84], ['A', ' HA ', 196.296, 210.443, 197.945], ['A', '1HB ', 196.527, 212.914, 196.824], ['A', '2HB ', 197.92, 211.871, 197.105], ['A', '1HG ', 196.353, 212.273, 194.53], ['A', '2HG ', 198.104, 212.315, 194.765], ['A', '1HD ', 196.767, 210.062, 193.878], ['A', '2HD ', 198.313, 210.0, 194.883]]
[['A', ' N ', 193.569, 210.464, 197.183], ['A', ' CA ', 192.214, 211.041, 197.207], ['A', ' C ', 191.355, 210.373, 198.272], ['A', ' O ', 190.701, 209.366, 197.995], ['A', ' CB ', 191.492, 210.925, 195.846], ['A', ' CG ', 190.175, 211.767, 195.744], ['A', ' CD1', 189.909, 212.94, 196.395], ['A', ' CD2', 188.975, 211.485, 194.963], ['A', ' NE1', 188.652, 213.396, 196.07], ['A', ' CE2', 188.071, 212.527, 195.204], ['A', ' CE3', 188.602, 210.46, 194.103], ['A', ' CZ2', 186.829, 212.568, 194.616], ['A', ' CZ3', 187.339, 210.506, 193.509], ['A', ' CH2', 186.483, 211.531, 193.761], ['A', ' H ', 193.715, 209.487, 197.432], ['A', ' HA ', 192.301, 212.095, 197.463], ['A', '1HB ', 192.167, 211.253, 195.055], ['A', '2HB ', 191.248, 209.883, 195.656], ['A', ' HD1', 190.584, 213.456, 197.071], ['A', ' HE1', 188.226, 214.248, 196.424], ['A', ' HE3', 189.281, 209.637, 193.896], ['A', ' HZ2', 186.13, 213.381, 194.805], ['A', ' HZ3', 187.055, 209.698, 192.838], ['A', ' HH2', 185.506, 211.536, 193.281]]
[['A', ' N ', 191.347, 210.976, 199.482], ['A', ' CA ', 190.63, 210.465, 200.664], ['A', ' C ', 190.81, 211.441, 201.864], ['A', ' O ', 191.191, 211.033, 202.959], ['A', ' CB ', 191.196, 209.044, 201.029], ['A', ' CG ', 190.462, 208.207, 202.139], ['A', ' CD ', 191.051, 206.778, 202.328], ['A', ' OE1', 192.136, 206.52, 201.859], ['A', ' OE2', 190.381, 205.959, 202.919], ['A', ' H ', 191.905, 211.813, 199.59], ['A', ' HA ', 189.568, 210.39, 200.427], ['A', '1HB ', 191.222, 208.411, 200.151], ['A', '2HB ', 192.225, 209.16, 201.36], ['A', '1HG ', 190.518, 208.718, 203.094], ['A', '2HG ', 189.413, 208.129, 201.869]]
[['A', ' N ', 190.538, 212.732, 201.631], ['A', ' CA ', 190.605, 213.796, 202.644], ['A', ' C ', 190.068, 215.095, 202.054], ['A', ' O ', 189.985, 215.219, 200.833], ['A', ' CB ', 192.022, 213.997, 203.191], ['A', ' CG ', 192.177, 215.1, 204.29], ['A', ' CD ', 193.473, 215.04, 204.973], ['A', ' NE ', 193.61, 216.141, 205.941], ['A', ' CZ ', 194.576, 216.256, 206.877], ['A', ' NH1', 195.502, 215.328, 207.001], ['A', ' NH2', 194.591, 217.312, 207.679], ['A', ' H ', 190.229, 212.991, 200.705], ['A', ' HA ', 189.965, 213.515, 203.481], ['A', '1HB ', 192.389, 213.076, 203.628], ['A', '2HB ', 192.691, 214.257, 202.372], ['A', '1HG ', 192.156, 216.094, 203.844], ['A', '2HG ', 191.396, 215.004, 205.044], ['A', '1HD ', 193.55, 214.093, 205.506], ['A', '2HD ', 194.273, 215.12, 204.239], ['A', ' HE ', 192.941, 216.896, 205.889], ['A', '1HH1', 195.5, 214.522, 206.396], ['A', '2HH1', 196.221, 215.423, 207.705], ['A', '1HH2', 193.877, 218.033, 207.59], ['A', '2HH2', 195.31, 217.406, 208.382]]
[['A', ' N ', 189.772, 216.073, 202.913], ['A', ' CA ', 189.45, 217.428, 202.469], ['A', ' C ', 189.234, 218.398, 203.632], ['A', ' O ', 189.874, 219.444, 203.698], ['A', ' CB ', 188.231, 217.451, 201.514], ['A', ' CG ', 186.897, 216.917, 202.044], ['A', ' CD ', 185.844, 216.955, 200.995], ['A', ' OE1', 186.159, 217.321, 199.893], ['A', ' OE2', 184.717, 216.603, 201.293], ['A', ' H ', 189.821, 215.887, 203.903], ['A', ' HA ', 190.303, 217.798, 201.9], ['A', '1HB ', 188.04, 218.491, 201.259], ['A', '2HB ', 188.454, 216.956, 200.577], ['A', '1HG ', 187.024, 215.895, 202.386], ['A', '2HG ', 186.537, 217.51, 202.864]]
[['A', ' N ', 188.357, 218.053, 204.555], ['A', ' CA ', 188.041, 218.923, 205.678], ['A', ' C ', 188.229, 218.242, 207.016], ['A', ' O ', 187.359, 217.5, 207.477], ['A', ' CB ', 186.624, 219.45, 205.539], ['A', ' CG ', 186.432, 220.444, 204.398], ['A', ' CD ', 185.0, 220.738, 204.13], ['A', ' NE ', 184.332, 219.603, 203.482], ['A', ' CZ ', 182.997, 219.438, 203.323], ['A', ' NH1', 182.135, 220.319, 203.791], ['A', ' NH2', 182.558, 218.374, 202.678], ['A', ' H ', 187.867, 217.174, 204.455], ['A', ' HA ', 188.716, 219.779, 205.649], ['A', '1HB ', 185.945, 218.617, 205.371], ['A', '2HB ', 186.32, 219.942, 206.46], ['A', '1HG ', 186.937, 221.375, 204.646], ['A', '2HG ', 186.859, 220.038, 203.483], ['A', '1HD ', 184.493, 220.952, 205.07], ['A', '2HD ', 184.93, 221.6, 203.468], ['A', ' HE ', 184.93, 218.881, 203.083], ['A', '1HH1', 182.459, 221.137, 204.282], ['A', '2HH1', 181.144, 220.174, 203.657], ['A', '1HH2', 183.238, 217.688, 202.293], ['A', '2HH2', 181.57, 218.229, 202.543]]
[['A', ' N ', 189.366, 218.522, 207.623], ['A', ' CA ', 189.863, 217.935, 208.862], ['A', ' C ', 190.791, 218.894, 209.588], ['A', ' O ', 191.702, 219.313, 208.862], ['A', ' CB ', 190.61, 216.61, 208.676], ['A', ' CG ', 189.826, 215.356, 208.213], ['A', ' CD ', 188.909, 214.886, 209.328], ['A', ' NE ', 188.296, 213.585, 209.087], ['A', ' CZ ', 187.421, 212.985, 209.93], ['A', ' NH1', 187.059, 213.579, 211.044], ['A', ' NH2', 186.928, 211.797, 209.636], ['A', ' H ', 189.982, 219.175, 207.15], ['A', ' HA ', 189.004, 217.761, 209.523], ['A', '1HB ', 191.396, 216.764, 207.942], ['A', '2HB ', 191.102, 216.35, 209.611], ['A', '1HG ', 189.235, 215.582, 207.332], ['A', '2HG ', 190.523, 214.548, 207.985], ['A', '1HD ', 189.478, 214.829, 210.255], ['A', '2HD ', 188.106, 215.613, 209.438], ['A', ' HE ', 188.548, 213.094, 208.238], ['A', '1HH1', 187.43, 214.488, 211.276], ['A', '2HH1', 186.408, 213.129, 211.67], ['A', '1HH2', 187.201, 211.331, 208.781], ['A', '2HH2', 186.276, 211.35, 210.264]]
[['A', ' N ', 190.11, 219.76, 210.334], ['A', ' CA ', 190.713, 220.218, 211.599], ['A', ' C ', 191.253, 221.651, 211.448], ['A', ' O ', 191.182, 222.227, 210.364], ['A', ' CB ', 191.84, 219.216, 212.003], ['A', ' CG ', 192.424, 219.306, 213.452], ['A', ' OD1', 192.119, 220.226, 214.166], ['A', ' OD2', 193.181, 218.443, 213.797], ['A', ' H ', 189.724, 220.537, 209.817], ['A', ' HA ', 189.945, 220.227, 212.374], ['A', '1HB ', 191.48, 218.193, 211.88], ['A', '2HB ', 192.682, 219.349, 211.321]]
[['A', ' N ', 191.758, 222.203, 212.557], ['A', ' CA ', 192.345, 223.543, 212.75], ['A', ' C ', 192.011, 224.068, 214.14], ['A', ' O ', 190.938, 223.711, 214.631], ['A', ' CB ', 191.873, 224.566, 211.719], ['A', ' H ', 191.74, 221.613, 213.384], ['A', ' HA ', 193.427, 223.448, 212.68], ['A', '1HB ', 192.352, 225.52, 211.941], ['A', '2HB ', 192.147, 224.279, 210.718], ['A', '3HB ', 190.793, 224.678, 211.791]]
[['A', ' N ', 193.114, 224.13, 214.889], ['A', ' CA ', 193.662, 225.393, 215.397], ['A', ' C ', 192.682, 226.554, 215.589], ['A', ' O ', 192.401, 227.202, 214.577], ['A', ' CB ', 194.794, 225.869, 214.505], ['A', ' OG ', 195.86, 224.947, 214.488], ['A', ' H ', 193.225, 223.355, 215.528], ['A', ' HA ', 194.088, 225.181, 216.381], ['A', '1HB ', 194.424, 226.021, 213.494], ['A', '2HB ', 195.153, 226.831, 214.868], ['A', ' HG ', 196.527, 225.325, 213.906]]
[['A', ' N ', 191.749, 226.346, 216.524], ['A', ' CA ', 191.91, 227.138, 217.746], ['A', ' C ', 190.818, 226.962, 218.795], ['A', ' O ', 189.716, 226.678, 218.342], ['A', ' CB ', 191.985, 228.632, 217.408], ['A', ' CG ', 192.22, 229.498, 218.621], ['A', ' CD ', 192.353, 230.932, 218.319], ['A', ' OE1', 192.145, 231.321, 217.198], ['A', ' OE2', 192.676, 231.652, 219.226], ['A', ' H ', 190.805, 226.168, 216.206], ['A', ' HA ', 192.85, 226.853, 218.208], ['A', '1HB ', 192.804, 228.822, 216.714], ['A', '2HB ', 191.061, 228.952, 216.926], ['A', '1HG ', 191.388, 229.383, 219.315], ['A', '2HG ', 193.12, 229.151, 219.123]]
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[['A', ' N ', 139.325, 204.203, 188.74], ['A', ' CA ', 138.466, 204.36, 189.893], ['A', ' C ', 138.459, 203.168, 190.849], ['A', ' O ', 137.619, 203.113, 191.748], ['A', ' CB ', 137.054, 204.581, 189.39], ['A', ' CG ', 136.903, 205.837, 188.574], ['A', ' CD ', 135.505, 205.981, 188.035], ['A', ' CE ', 135.373, 207.24, 187.197], ['A', ' NZ ', 134.018, 207.371, 186.602], ['A', ' H ', 138.953, 203.691, 187.929], ['A', ' HA ', 138.802, 205.233, 190.45], ['A', '1HB ', 136.759, 203.728, 188.77], ['A', '2HB ', 136.367, 204.632, 190.233], ['A', '1HG ', 137.147, 206.7, 189.192], ['A', '2HG ', 137.6, 205.805, 187.736], ['A', '1HD ', 135.267, 205.112, 187.414], ['A', '2HD ', 134.796, 206.025, 188.86], ['A', '1HE ', 135.567, 208.106, 187.826], ['A', '2HE ', 136.111, 207.214, 186.392], ['A', '1HZ ', 133.97, 208.221, 186.055], ['A', '2HZ ', 133.834, 206.576, 186.004], ['A', '3HZ ', 133.328, 207.407, 187.338]]
[['A', ' N ', 139.333, 202.193, 190.649], ['A', ' CA ', 139.278, 200.991, 191.463], ['A', ' C ', 139.567, 201.214, 192.915], ['A', ' O ', 140.559, 201.857, 193.282], ['A', ' CB ', 140.241, 199.945, 190.973], ['A', ' OG ', 140.238, 198.83, 191.833], ['A', ' H ', 140.042, 202.28, 189.92], ['A', ' HA ', 138.27, 200.584, 191.376], ['A', '1HB ', 139.971, 199.628, 189.982], ['A', '2HB ', 141.243, 200.373, 190.912], ['A', ' HG ', 140.802, 198.18, 191.387]]
[['A', ' N ', 138.773, 200.564, 193.755], ['A', ' CA ', 138.938, 200.637, 195.192], ['A', ' C ', 140.217, 199.949, 195.624], ['A', ' O ', 140.734, 200.199, 196.713], ['A', ' CB ', 137.753, 200.0, 195.876], ['A', ' OG ', 137.719, 198.621, 195.634], ['A', ' H ', 137.999, 200.032, 193.381], ['A', ' HA ', 138.98, 201.685, 195.475], ['A', '1HB ', 137.81, 200.183, 196.948], ['A', '2HB ', 136.835, 200.461, 195.514], ['A', ' HG ', 136.943, 198.288, 196.102]]
[['A', ' N ', 140.736, 199.066, 194.771], ['A', ' CA ', 141.967, 198.372, 195.08], ['A', ' C ', 143.117, 199.337, 195.076], ['A', ' O ', 144.053, 199.228, 195.871], ['A', ' CB ', 142.24, 197.281, 194.072], ['A', ' H ', 140.271, 198.904, 193.879], ['A', ' HA ', 141.876, 197.943, 196.078], ['A', '1HB ', 143.159, 196.782, 194.338], ['A', '2HB ', 141.424, 196.563, 194.071], ['A', '3HB ', 142.345, 197.713, 193.079]]
[['A', ' N ', 143.051, 200.298, 194.17], ['A', ' CA ', 144.112, 201.236, 194.032], ['A', ' C ', 143.863, 202.348, 194.988], ['A', ' O ', 144.793, 202.958, 195.499], ['A', ' CB ', 144.189, 201.677, 192.582], ['A', ' CG ', 144.583, 200.554, 191.588], ['A', ' CD1', 144.464, 201.051, 190.229], ['A', ' CD2', 146.015, 200.13, 191.792], ['A', ' H ', 142.237, 200.409, 193.568], ['A', ' HA ', 145.041, 200.766, 194.321], ['A', '1HB ', 143.195, 202.032, 192.289], ['A', '2HB ', 144.876, 202.497, 192.479], ['A', ' HG ', 143.919, 199.696, 191.718], ['A', '1HD1', 144.742, 200.265, 189.533], ['A', '2HD1', 143.448, 201.354, 190.043], ['A', '3HD1', 145.123, 201.892, 190.117], ['A', '1HD2', 146.239, 199.372, 191.058], ['A', '2HD2', 146.676, 200.964, 191.641], ['A', '3HD2', 146.168, 199.731, 192.788]]
[['A', ' N ', 142.607, 202.626, 195.279], ['A', ' CA ', 142.375, 203.664, 196.241], ['A', ' C ', 142.975, 203.241, 197.571], ['A', ' O ', 143.633, 204.043, 198.238], ['A', ' CB ', 140.9, 203.921, 196.387], ['A', ' H ', 141.837, 202.154, 194.799], ['A', ' HA ', 142.872, 204.571, 195.901], ['A', '1HB ', 140.743, 204.712, 197.108], ['A', '2HB ', 140.486, 204.215, 195.421], ['A', '3HB ', 140.42, 203.013, 196.73]]
[['A', ' N ', 142.817, 201.961, 197.936], ['A', ' CA ', 143.386, 201.51, 199.186], ['A', ' C ', 144.881, 201.478, 199.118], ['A', ' O ', 145.547, 201.925, 200.056], ['A', ' CB ', 142.873, 200.138, 199.586], ['A', ' CG ', 143.411, 199.673, 200.954], ['A', ' CD ', 142.828, 198.368, 201.423], ['A', ' OE1', 142.031, 197.812, 200.719], ['A', ' OE2', 143.179, 197.93, 202.49], ['A', ' H ', 142.242, 201.318, 197.377], ['A', ' HA ', 143.113, 202.214, 199.963], ['A', '1HB ', 141.783, 200.158, 199.629], ['A', '2HB ', 143.155, 199.405, 198.826], ['A', '1HG ', 144.491, 199.552, 200.885], ['A', '2HG ', 143.215, 200.449, 201.697]]
[['A', ' N ', 145.432, 200.963, 198.024], ['A', ' CA ', 146.861, 200.89, 197.942], ['A', ' C ', 147.44, 202.282, 198.038], ['A', ' O ', 148.433, 202.471, 198.727], ['A', ' CB ', 147.334, 200.151, 196.707], ['A', ' CG ', 148.808, 199.969, 196.72], ['A', ' CD1', 149.372, 198.992, 197.495], ['A', ' CD2', 149.588, 200.767, 195.989], ['A', ' CE1', 150.743, 198.85, 197.515], ['A', ' CE2', 150.941, 200.633, 196.001], ['A', ' CZ ', 151.525, 199.698, 196.752], ['A', ' OH ', 152.914, 199.589, 196.748], ['A', ' H ', 144.859, 200.567, 197.27], ['A', ' HA ', 147.222, 200.337, 198.805], ['A', '1HB ', 146.861, 199.17, 196.656], ['A', '2HB ', 147.05, 200.701, 195.819], ['A', ' HD1', 148.742, 198.336, 198.098], ['A', ' HD2', 149.14, 201.501, 195.394], ['A', ' HE1', 151.21, 198.081, 198.13], ['A', ' HE2', 151.57, 201.284, 195.39], ['A', ' HH ', 153.319, 200.222, 196.091]]
[['A', ' N ', 146.842, 203.251, 197.345], ['A', ' CA ', 147.326, 204.619, 197.359], ['A', ' C ', 147.307, 205.184, 198.762], ['A', ' O ', 148.265, 205.826, 199.196], ['A', ' CB ', 146.447, 205.498, 196.505], ['A', ' OG ', 146.909, 206.815, 196.513], ['A', ' H ', 146.034, 203.037, 196.771], ['A', ' HA ', 148.339, 204.636, 196.973], ['A', '1HB ', 146.425, 205.13, 195.499], ['A', '2HB ', 145.427, 205.464, 196.877], ['A', ' HG ', 146.293, 207.303, 195.965]]
[['A', ' N ', 146.241, 204.946, 199.516], ['A', ' CA ', 146.227, 205.471, 200.869], ['A', ' C ', 147.339, 204.867, 201.712], ['A', ' O ', 147.947, 205.567, 202.522], ['A', ' CB ', 144.9, 205.199, 201.535], ['A', ' CG ', 143.757, 206.026, 201.0], ['A', ' CD ', 142.556, 205.94, 201.858], ['A', ' NE ', 142.032, 204.572, 201.95], ['A', ' CZ ', 141.179, 203.991, 201.075], ['A', ' NH1', 140.765, 204.639, 200.013], ['A', ' NH2', 140.763, 202.753, 201.292], ['A', ' H ', 145.425, 204.459, 199.123], ['A', ' HA ', 146.377, 206.547, 200.816], ['A', '1HB ', 144.643, 204.148, 201.394], ['A', '2HB ', 144.988, 205.38, 202.602], ['A', '1HG ', 144.063, 207.069, 200.954], ['A', '2HG ', 143.503, 205.69, 200.008], ['A', '1HD ', 142.817, 206.268, 202.864], ['A', '2HD ', 141.776, 206.59, 201.467], ['A', ' HE ', 142.313, 204.024, 202.752], ['A', '1HH1', 141.081, 205.581, 199.835], ['A', '2HH1', 140.133, 204.192, 199.364], ['A', '1HH2', 141.082, 202.244, 202.108], ['A', '2HH2', 140.13, 202.311, 200.639]]
[['A', ' N ', 147.595, 203.569, 201.538], ['A', ' CA ', 148.654, 202.898, 202.275], ['A', ' C ', 150.026, 203.358, 201.837], ['A', ' O ', 150.943, 203.507, 202.652], ['A', ' CB ', 148.582, 201.395, 202.02], ['A', ' CG ', 147.386, 200.661, 202.584], ['A', ' CD1', 147.35, 199.266, 201.995], ['A', ' CD2', 147.49, 200.585, 204.097], ['A', ' H ', 146.997, 203.034, 200.9], ['A', ' HA ', 148.542, 203.125, 203.328], ['A', '1HB ', 148.588, 201.237, 200.943], ['A', '2HB ', 149.479, 200.944, 202.431], ['A', ' HG ', 146.469, 201.174, 202.303], ['A', '1HD1', 146.481, 198.732, 202.389], ['A', '2HD1', 147.267, 199.337, 200.917], ['A', '3HD1', 148.257, 198.727, 202.256], ['A', '1HD2', 146.628, 200.042, 204.484], ['A', '2HD2', 148.405, 200.062, 204.376], ['A', '3HD2', 147.5, 201.579, 204.529]]
[['A', ' N ', 150.166, 203.574, 200.548], ['A', ' CA ', 151.385, 203.983, 199.903], ['A', ' C ', 151.795, 205.39, 200.266], ['A', ' O ', 152.954, 205.677, 200.55], ['A', ' CB ', 151.162, 203.939, 198.403], ['A', ' CG ', 152.29, 204.323, 197.518], ['A', ' CD1', 153.44, 203.38, 197.713], ['A', ' CD2', 151.791, 204.349, 196.079], ['A', ' H ', 149.365, 203.387, 199.948], ['A', ' HA ', 152.165, 203.29, 200.215], ['A', '1HB ', 150.861, 202.927, 198.133], ['A', '2HB ', 150.342, 204.6, 198.177], ['A', ' HG ', 152.638, 205.321, 197.783], ['A', '1HD1', 154.256, 203.681, 197.062], ['A', '2HD1', 153.795, 203.398, 198.733], ['A', '3HD1', 153.132, 202.367, 197.456], ['A', '1HD2', 152.603, 204.653, 195.439], ['A', '2HD2', 151.446, 203.389, 195.783], ['A', '3HD2', 150.975, 205.057, 195.987]]
[['A', ' N ', 150.832, 206.294, 200.238], ['A', ' CA ', 151.092, 207.68, 200.51], ['A', ' C ', 151.938, 207.822, 201.76], ['A', ' O ', 151.751, 208.759, 202.542], ['A', ' CB ', 149.781, 208.425, 200.654], ['A', ' H ', 149.888, 206.014, 199.984], ['A', ' HA ', 151.65, 208.094, 199.671], ['A', '1HB ', 149.969, 209.48, 200.838], ['A', '2HB ', 149.204, 208.311, 199.735], ['A', '3HB ', 149.219, 207.999, 201.489]]
daq_score_w9.pdb
daq_score_atom_w9.pdb
Please open it in pymol and visualize it by putting the following command to Pymol:
----------------------------------------------------------------------------------------------------
spectrum b, red_white_blue, all, -1,1
----------------------------------------------------------------------------------------------------
gcc -std=c99 -o DAQscore_colab main.c chkcmdline.o mrc.o readpdb.o thread.o dp.o -lm -O3 -msse4.2 -msse -msse2 -msse3 -mmmx -ftree-vectorize -ftree-vectorizer-verbose=3 -ffast-math -march=native -funroll-loops -fopenmp
rank_001_alphafold2_ptm_model_1_seed_000_s2 existed
Origin: (0., 0., 0.)
Previous voxel size: 1.0
----------------------------------------------------------------------------------------------------
resizing finished!
----------------------------------------------------------------------------------------------------
Finished processing model input!
0 batch processing time 1.231848
1 batch processing time 1.196003
2 batch processing time 1.155730
3 batch processing time 1.215842
4 batch processing time 1.137475
5 batch processing time 1.175371
6 batch processing time 1.165986
7 batch processing time 1.149934
8 batch processing time 1.093460
9 batch processing time 1.181835
10 batch processing time 1.015417
11 batch processing time 0.954312
12 batch processing time 0.944374
13 batch processing time 0.941540
14 batch processing time 0.928795
15 batch processing time 0.927779
16 batch processing time 0.970809
17 batch processing time 0.934338
18 batch processing time 0.930299
19 batch processing time 0.940488
20 batch processing time 0.925043
21 batch processing time 0.925975
22 batch processing time 0.940926
23 batch processing time 0.929995
24 batch processing time 0.926656
25 batch processing time 0.927664
26 batch processing time 0.932964
27 batch processing time 0.930928
28 batch processing time 0.934898
29 batch processing time 0.945100
30 batch processing time 0.929034
31 batch processing time 0.926006
32 batch processing time 0.923908
33 batch processing time 0.924453
34 batch processing time 0.927142
35 batch processing time 0.923335
36 batch processing time 0.924645
37 batch processing time 0.936928
38 batch processing time 0.919977
39 batch processing time 0.928554
40 batch processing time 0.921711
prediction.txt, please have a check!
exe_path
daq_raw_score.pdb
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[['A', ' N ', 216.252, 206.976, 179.945], ['A', ' CA ', 215.825, 208.368, 179.846], ['A', ' C ', 214.419, 208.624, 180.365], ['A', ' O ', 213.654, 207.7, 180.647], ['A', ' H ', 215.86, 206.504, 180.745], ['A', '1HA ', 216.527, 209.0, 180.393], ['A', '2HA ', 215.871, 208.678, 178.801]]
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[['A', ' N ', 207.213, 214.843, 182.218], ['A', ' CA ', 205.813, 214.861, 182.654], ['A', ' C ', 205.609, 213.992, 183.888], ['A', ' O ', 206.038, 212.853, 183.803], ['A', ' CB ', 204.922, 214.282, 181.573], ['A', ' CG ', 204.836, 214.991, 180.223], ['A', ' CD ', 204.121, 216.28, 180.292], ['A', ' NE ', 203.993, 216.892, 178.963], ['A', ' CZ ', 204.903, 217.71, 178.365], ['A', ' NH1', 206.023, 218.046, 178.976], ['A', ' NH2', 204.651, 218.182, 177.147], ['A', ' H ', 207.768, 213.994, 182.295], ['A', ' HA ', 205.52, 215.874, 182.891], ['A', '1HB ', 205.18, 213.244, 181.393], ['A', '2HB ', 203.93, 214.324, 181.966], ['A', '1HG ', 205.811, 215.134, 179.785], ['A', '2HG ', 204.252, 214.35, 179.559], ['A', '1HD ', 203.118, 216.104, 180.682], ['A', '2HD ', 204.631, 216.975, 180.949], ['A', ' HE ', 203.156, 216.672, 178.441], ['A', '1HH1', 206.238, 217.688, 179.923], ['A', '2HH1', 206.686, 218.659, 178.52], ['A', '1HH2', 203.792, 217.93, 176.672], ['A', '2HH2', 205.317, 218.79, 176.69]]
[['A', ' N ', 205.868, 214.705, 184.986], ['A', ' CA ', 205.172, 214.382, 186.217], ['A', ' C ', 203.67, 214.509, 186.106], ['A', ' O ', 203.151, 215.409, 185.443], ['A', ' CB ', 205.617, 215.318, 187.332], ['A', ' CG ', 207.055, 215.129, 187.675], ['A', ' OD1', 207.662, 214.244, 187.117], ['A', ' OD2', 207.55, 215.85, 188.502], ['A', ' H ', 206.868, 214.764, 185.183], ['A', ' HA ', 205.409, 213.355, 186.487], ['A', '1HB ', 205.463, 216.355, 187.027], ['A', '2HB ', 205.009, 215.142, 188.221]]
[['A', ' N ', 202.981, 213.594, 186.776], ['A', ' CA ', 201.534, 213.581, 186.817], ['A', ' C ', 201.037, 213.383, 188.252], ['A', ' O ', 201.709, 212.738, 189.053], ['A', ' CB ', 201.002, 212.43, 185.991], ['A', ' CG ', 201.46, 212.397, 184.564], ['A', ' CD1', 202.593, 211.674, 184.241], ['A', ' CD2', 200.761, 213.058, 183.582], ['A', ' CE1', 203.013, 211.602, 182.946], ['A', ' CE2', 201.184, 212.991, 182.277], ['A', ' CZ ', 202.298, 212.253, 181.958], ['A', ' OH ', 202.717, 212.17, 180.653], ['A', ' H ', 203.488, 212.878, 187.279], ['A', ' HA ', 201.155, 214.533, 186.441], ['A', '1HB ', 201.29, 211.486, 186.457], ['A', '2HB ', 199.905, 212.462, 185.993], ['A', ' HD1', 203.151, 211.159, 185.017], ['A', ' HD2', 199.868, 213.636, 183.834], ['A', ' HE1', 203.906, 211.031, 182.694], ['A', ' HE2', 200.633, 213.509, 181.493], ['A', ' HH ', 203.48, 211.586, 180.597]]
[['A', ' N ', 199.853, 213.924, 188.553], ['A', ' CA ', 199.161, 213.703, 189.829], ['A', ' C ', 197.771, 213.098, 189.544], ['A', ' O ', 197.042, 213.622, 188.702], ['A', ' CB ', 199.04, 215.008, 190.651], ['A', ' CG1', 200.468, 215.534, 190.974], ['A', ' CG2', 198.202, 214.753, 191.946], ['A', ' CD1', 200.525, 216.933, 191.568], ['A', ' H ', 199.383, 214.473, 187.844], ['A', ' HA ', 199.726, 212.986, 190.415], ['A', ' HB ', 198.545, 215.766, 190.047], ['A', '1HG1', 200.943, 214.838, 191.666], ['A', '2HG1', 201.046, 215.552, 190.06], ['A', '1HG2', 198.11, 215.669, 192.521], ['A', '2HG2', 197.204, 214.407, 191.69], ['A', '3HG2', 198.701, 213.997, 192.561], ['A', '1HD1', 201.567, 217.201, 191.744], ['A', '2HD1', 200.082, 217.646, 190.871], ['A', '3HD1', 199.989, 216.972, 192.51]]
[['A', ' N ', 197.402, 212.007, 190.235], ['A', ' CA ', 196.113, 211.351, 190.0], ['A', ' C ', 195.673, 210.62, 191.364], ['A', ' O ', 196.575, 210.146, 192.058], ['A', ' CB ', 196.379, 210.471, 188.726], ['A', ' H ', 198.044, 211.624, 190.916], ['A', ' HA ', 195.366, 212.108, 189.761], ['A', '1HB ', 195.542, 209.928, 188.333], ['A', '2HB ', 196.712, 211.133, 187.934], ['A', '3HB ', 197.167, 209.754, 188.956]]
[['A', ' N ', 194.34, 210.531, 191.803], ['A', ' CA ', 192.816, 210.512, 191.877], ['A', ' C ', 192.292, 209.996, 193.23], ['A', ' O ', 192.633, 208.887, 193.643], ['A', ' CB ', 192.215, 209.591, 190.841], ['A', ' CG ', 193.142, 208.794, 190.594], ['A', ' CD ', 194.205, 209.718, 190.524], ['A', ' HA ', 192.453, 211.538, 191.706], ['A', '1HB ', 191.321, 209.089, 191.253], ['A', '2HB ', 191.875, 210.156, 189.962], ['A', '1HG ', 193.251, 208.037, 191.383], ['A', '2HG ', 192.953, 208.257, 189.654], ['A', '1HD ', 195.062, 209.07, 190.399], ['A', '2HD ', 193.933, 210.342, 189.678]]
[['A', ' N ', 191.472, 210.806, 193.907], ['A', ' CA ', 190.879, 210.418, 195.185], ['A', ' C ', 189.594, 211.168, 195.518], ['A', ' O ', 188.829, 210.719, 196.374], ['A', ' CB ', 191.88, 210.587, 196.319], ['A', ' CG ', 192.462, 211.918, 196.36], ['A', ' CD1', 191.964, 213.002, 196.971], ['A', ' CD2', 193.7, 212.334, 195.751], ['A', ' NE1', 192.785, 214.071, 196.784], ['A', ' CE2', 193.855, 213.678, 196.035], ['A', ' CE3', 194.69, 211.676, 194.988], ['A', ' CZ2', 194.946, 214.399, 195.587], ['A', ' CZ3', 195.782, 212.402, 194.545], ['A', ' CH2', 195.903, 213.723, 194.834], ['A', ' H ', 191.239, 211.709, 193.527], ['A', ' HA ', 190.632, 209.355, 195.127], ['A', '1HB ', 191.389, 210.403, 197.273], ['A', '2HB ', 192.682, 209.858, 196.21], ['A', ' HD1', 191.049, 213.028, 197.518], ['A', ' HE1', 192.621, 215.007, 197.143], ['A', ' HE3', 194.609, 210.615, 194.744], ['A', ' HZ2', 195.068, 215.455, 195.807], ['A', ' HZ3', 196.542, 211.888, 193.953], ['A', ' HH2', 196.768, 214.263, 194.469]]
[['A', ' N ', 189.37, 212.316, 194.869], ['A', ' CA ', 188.214, 213.182, 195.162], ['A', ' C ', 188.354, 213.722, 196.602], ['A', ' O ', 189.247, 214.538, 196.848], ['A', ' CB ', 186.901, 212.414, 194.933], ['A', ' CG ', 186.719, 211.919, 193.479], ['A', ' CD ', 185.493, 211.084, 193.277], ['A', ' OE1', 184.95, 210.657, 194.258], ['A', ' OE2', 185.102, 210.873, 192.15], ['A', ' H ', 190.037, 212.612, 194.177], ['A', ' HA ', 188.232, 214.032, 194.483], ['A', '1HB ', 186.793, 211.573, 195.606], ['A', '2HB ', 186.061, 213.09, 195.13], ['A', '1HG ', 186.643, 212.792, 192.831], ['A', '2HG ', 187.594, 211.351, 193.173]]
[['A', ' N ', 187.46, 213.34, 197.517], ['A', ' CA ', 187.491, 213.742, 198.939], ['A', ' C ', 187.135, 215.178, 199.292], ['A', ' O ', 187.02, 215.939, 198.338], ['A', ' CB ', 188.838, 213.442, 199.581], ['A', ' CG ', 189.122, 211.992, 199.751], ['A', ' CD ', 190.472, 211.755, 200.333], ['A', ' NE ', 190.616, 212.283, 201.702], ['A', ' CZ ', 191.77, 212.302, 202.409], ['A', ' NH1', 192.888, 211.826, 201.895], ['A', ' NH2', 191.765, 212.804, 203.626], ['A', ' H ', 186.738, 212.689, 197.227], ['A', ' HA ', 186.773, 213.107, 199.45], ['A', '1HB ', 189.657, 213.887, 199.048], ['A', '2HB ', 188.859, 213.875, 200.575], ['A', '1HG ', 188.381, 211.553, 200.419], ['A', '2HG ', 189.073, 211.504, 198.782], ['A', '1HD ', 190.647, 210.682, 200.361], ['A', '2HD ', 191.22, 212.228, 199.709], ['A', ' HE ', 189.793, 212.676, 202.179], ['A', '1HH1', 192.898, 211.44, 200.965], ['A', '2HH1', 193.739, 211.848, 202.437], ['A', '1HH2', 190.878, 213.17, 203.998], ['A', '2HH2', 192.604, 212.829, 204.179]]
[['A', ' N ', 186.174, 215.142, 200.223], ['A', ' CA ', 186.067, 216.071, 201.362], ['A', ' C ', 185.892, 217.554, 201.086], ['A', ' O ', 185.759, 217.999, 199.951], ['A', ' CB ', 187.256, 215.875, 202.3], ['A', ' CG ', 187.231, 214.556, 202.999], ['A', ' CD ', 188.303, 214.415, 203.964], ['A', ' OE1', 188.282, 215.118, 204.942], ['A', ' OE2', 189.176, 213.624, 203.736], ['A', ' H ', 185.267, 215.018, 199.792], ['A', ' HA ', 185.186, 215.767, 201.925], ['A', '1HB ', 188.187, 215.938, 201.736], ['A', '2HB ', 187.292, 216.646, 203.062], ['A', '1HG ', 186.281, 214.457, 203.523], ['A', '2HG ', 187.29, 213.752, 202.275]]
[['A', ' N ', 185.827, 218.32, 202.174], ['A', ' CA ', 185.633, 219.75, 202.074], ['A', ' C ', 186.517, 220.535, 203.018], ['A', ' O ', 186.928, 220.053, 204.076], ['A', ' CB ', 184.187, 220.101, 202.34], ['A', ' CG ', 183.692, 219.801, 203.742], ['A', ' CD ', 182.26, 220.061, 203.844], ['A', ' NE ', 181.491, 219.113, 203.067], ['A', ' CZ ', 180.199, 219.263, 202.733], ['A', ' NH1', 179.532, 220.337, 203.105], ['A', ' NH2', 179.596, 218.323, 202.027], ['A', ' H ', 185.936, 217.91, 203.091], ['A', ' HA ', 185.879, 220.057, 201.057], ['A', '1HB ', 184.041, 221.165, 202.169], ['A', '2HB ', 183.555, 219.57, 201.633], ['A', '1HG ', 183.865, 218.754, 203.977], ['A', '2HG ', 184.207, 220.431, 204.469], ['A', '1HD ', 181.948, 219.988, 204.886], ['A', '2HD ', 182.062, 221.063, 203.469], ['A', ' HE ', 181.958, 218.27, 202.76], ['A', '1HH1', 179.987, 221.056, 203.645], ['A', '2HH1', 178.56, 220.442, 202.852], ['A', '1HH2', 180.107, 217.497, 201.742], ['A', '2HH2', 178.625, 218.423, 201.772]]
[['A', ' N ', 186.803, 221.748, 202.589], ['A', ' CA ', 187.545, 222.774, 203.289], ['A', ' C ', 187.534, 224.016, 202.414], ['A', ' O ', 187.408, 223.899, 201.195], ['A', ' CB ', 188.907, 222.246, 203.675], ['A', ' CG ', 189.695, 221.643, 202.552], ['A', ' CD ', 190.614, 220.619, 203.083], ['A', ' NE ', 189.866, 219.497, 203.71], ['A', ' CZ ', 190.428, 218.367, 204.172], ['A', ' NH1', 191.723, 218.176, 204.042], ['A', ' NH2', 189.7, 217.446, 204.758], ['A', ' H ', 186.431, 222.015, 201.684], ['A', ' HA ', 187.021, 223.018, 204.214], ['A', '1HB ', 189.503, 223.086, 204.032], ['A', '2HB ', 188.829, 221.551, 204.499], ['A', '1HG ', 189.05, 221.172, 201.819], ['A', '2HG ', 190.286, 222.42, 202.066], ['A', '1HD ', 191.214, 220.223, 202.266], ['A', '2HD ', 191.263, 221.066, 203.837], ['A', ' HE ', 188.846, 219.621, 203.854], ['A', '1HH1', 192.298, 218.873, 203.597], ['A', '2HH1', 192.144, 217.325, 204.389], ['A', '1HH2', 188.698, 217.557, 204.877], ['A', '2HH2', 190.141, 216.601, 205.11]]
[['A', ' N ', 187.657, 225.187, 203.022], ['A', ' CA ', 187.579, 226.444, 202.281], ['A', ' C ', 188.895, 227.055, 201.827], ['A', ' O ', 189.948, 226.832, 202.423], ['A', ' CB ', 186.848, 227.476, 203.129], ['A', ' CG ', 185.385, 227.129, 203.356], ['A', ' OD1', 184.763, 226.585, 202.474], ['A', ' OD2', 184.911, 227.395, 204.427], ['A', ' H ', 187.773, 225.214, 204.024], ['A', ' HA ', 186.983, 226.259, 201.385], ['A', '1HB ', 187.344, 227.573, 204.096], ['A', '2HB ', 186.903, 228.449, 202.638]]
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[['A', ' N ', 216.252, 206.976, 179.945], ['A', ' CA ', 215.825, 208.368, 179.846], ['A', ' C ', 214.419, 208.624, 180.365], ['A', ' O ', 213.654, 207.7, 180.647], ['A', ' H ', 215.86, 206.504, 180.745], ['A', '1HA ', 216.527, 209.0, 180.393], ['A', '2HA ', 215.871, 208.678, 178.801]]
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[['A', ' N ', 209.855, 214.549, 180.99], ['A', ' CA ', 209.173, 215.848, 181.075], ['A', ' C ', 207.706, 215.879, 181.546], ['A', ' O ', 207.05, 216.911, 181.383], ['A', ' CB ', 209.225, 216.523, 179.699], ['A', ' CG ', 210.603, 216.819, 179.181], ['A', ' CD ', 210.559, 217.4, 177.801], ['A', ' OE1', 209.485, 217.655, 177.329], ['A', ' OE2', 211.593, 217.526, 177.192], ['A', ' H ', 210.188, 214.243, 181.895], ['A', ' HA ', 209.743, 216.462, 181.77], ['A', '1HB ', 208.687, 215.933, 178.969], ['A', '2HB ', 208.722, 217.489, 179.765], ['A', '1HG ', 211.064, 217.552, 179.846], ['A', '2HG ', 211.217, 215.931, 179.199]]
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[['A', ' N ', 146.85, 203.402, 197.316], ['A', ' CA ', 147.301, 204.784, 197.348], ['A', ' C ', 147.279, 205.306, 198.765], ['A', ' O ', 148.225, 205.964, 199.199], ['A', ' CB ', 146.415, 205.655, 196.494], ['A', ' OG ', 146.833, 206.994, 196.531], ['A', ' H ', 146.035, 203.176, 196.751], ['A', ' HA ', 148.32, 204.832, 196.973], ['A', '1HB ', 146.433, 205.3, 195.483], ['A', '2HB ', 145.387, 205.577, 196.838], ['A', ' HG ', 146.338, 207.441, 195.842]]
[['A', ' N ', 146.217, 205.02, 199.516], ['A', ' CA ', 146.17, 205.472, 200.893], ['A', ' C ', 147.287, 204.841, 201.71], ['A', ' O ', 147.869, 205.497, 202.568], ['A', ' CB ', 144.839, 205.153, 201.535], ['A', ' CG ', 143.689, 205.996, 201.034], ['A', ' CD ', 142.486, 205.85, 201.891], ['A', ' NE ', 141.982, 204.475, 201.915], ['A', ' CZ ', 141.136, 203.931, 201.016], ['A', ' NH1', 140.709, 204.627, 199.99], ['A', ' NH2', 140.74, 202.679, 201.168], ['A', ' H ', 145.416, 204.529, 199.098], ['A', ' HA ', 146.303, 206.551, 200.901], ['A', '1HB ', 144.592, 204.109, 201.34], ['A', '2HB ', 144.915, 205.282, 202.609], ['A', '1HG ', 143.987, 207.047, 201.041], ['A', '2HG ', 143.434, 205.709, 200.024], ['A', '1HD ', 142.742, 206.129, 202.914], ['A', '2HD ', 141.695, 206.506, 201.537], ['A', ' HE ', 142.278, 203.888, 202.684], ['A', '1HH1', 141.011, 205.582, 199.861], ['A', '2HH1', 140.08, 204.205, 199.322], ['A', '1HH2', 141.067, 202.133, 201.956], ['A', '2HH2', 140.116, 202.264, 200.491]]
[['A', ' N ', 147.605, 203.576, 201.452], ['A', ' CA ', 148.69, 202.94, 202.178], ['A', ' C ', 150.02, 203.594, 201.849], ['A', ' O ', 150.843, 203.807, 202.741], ['A', ' CB ', 148.781, 201.453, 201.827], ['A', ' CG ', 147.643, 200.55, 202.314], ['A', ' CD1', 147.783, 199.184, 201.674], ['A', ' CD2', 147.69, 200.419, 203.823], ['A', ' H ', 147.038, 203.048, 200.778], ['A', ' HA ', 148.518, 203.067, 203.24], ['A', '1HB ', 148.831, 201.361, 200.745], ['A', '2HB ', 149.712, 201.064, 202.238], ['A', ' HG ', 146.687, 200.967, 202.014], ['A', '1HD1', 146.962, 198.545, 202.012], ['A', '2HD1', 147.737, 199.28, 200.603], ['A', '3HD1', 148.735, 198.738, 201.955], ['A', '1HD2', 146.881, 199.766, 204.149], ['A', '2HD2', 148.648, 199.991, 204.125], ['A', '3HD2', 147.568, 201.387, 204.292]]
[['A', ' N ', 150.224, 203.96, 200.583], ['A', ' CA ', 151.455, 204.632, 200.194], ['A', ' C ', 151.514, 206.022, 200.797], ['A', ' O ', 152.573, 206.506, 201.201], ['A', ' CB ', 151.517, 204.842, 198.686], ['A', ' CG ', 151.637, 203.648, 197.782], ['A', ' CD1', 151.534, 204.156, 196.345], ['A', ' CD2', 152.921, 202.928, 198.025], ['A', ' H ', 149.529, 203.693, 199.88], ['A', ' HA ', 152.303, 204.066, 200.56], ['A', '1HB ', 150.608, 205.363, 198.395], ['A', '2HB ', 152.359, 205.498, 198.476], ['A', ' HG ', 150.818, 202.969, 197.956], ['A', '1HD1', 151.595, 203.342, 195.647], ['A', '2HD1', 150.585, 204.664, 196.217], ['A', '3HD1', 152.35, 204.854, 196.144], ['A', '1HD2', 153.005, 202.089, 197.356], ['A', '2HD2', 153.762, 203.602, 197.844], ['A', '3HD2', 152.96, 202.563, 199.045]]
[['A', ' N ', 150.359, 206.667, 200.843], ['A', ' CA ', 150.202, 208.01, 201.347], ['A', ' C ', 149.039, 208.072, 202.326], ['A', ' O ', 148.473, 209.147, 202.552], ['A', ' CB ', 149.966, 208.968, 200.194], ['A', ' H ', 149.535, 206.206, 200.453], ['A', ' HA ', 151.11, 208.289, 201.877], ['A', '1HB ', 149.856, 209.977, 200.574], ['A', '2HB ', 150.807, 208.923, 199.507], ['A', '3HB ', 149.051, 208.678, 199.666]]
daq_score_w9.pdb
daq_score_atom_w9.pdb
Please open it in pymol and visualize it by putting the following command to Pymol:
----------------------------------------------------------------------------------------------------
spectrum b, red_white_blue, all, -1,1
----------------------------------------------------------------------------------------------------
gcc -std=c99 -o DAQscore_colab main.c chkcmdline.o mrc.o readpdb.o thread.o dp.o -lm -O3 -msse4.2 -msse -msse2 -msse3 -mmmx -ftree-vectorize -ftree-vectorizer-verbose=3 -ffast-math -march=native -funroll-loops -fopenmp
rank_005_alphafold2_ptm_model_5_seed_000_af2 existed
Origin: (0., 0., 0.)
Previous voxel size: 1.0
----------------------------------------------------------------------------------------------------
resizing finished!
----------------------------------------------------------------------------------------------------
Finished processing model input!
0 batch processing time 0.992532
1 batch processing time 1.001701
2 batch processing time 0.947650
3 batch processing time 0.936452
4 batch processing time 0.934288
5 batch processing time 0.933092
6 batch processing time 0.932164
7 batch processing time 0.928305
8 batch processing time 0.942078
9 batch processing time 0.955462
10 batch processing time 0.958301
11 batch processing time 0.950840
12 batch processing time 0.959963
13 batch processing time 0.953863
14 batch processing time 0.957852
15 batch processing time 0.945357
16 batch processing time 0.959360
17 batch processing time 0.943935
18 batch processing time 0.958480
19 batch processing time 0.962831
20 batch processing time 0.960877
21 batch processing time 0.952476
22 batch processing time 0.950235
23 batch processing time 0.955264
24 batch processing time 0.946989
25 batch processing time 0.965014
26 batch processing time 0.963466
27 batch processing time 0.947484
28 batch processing time 0.958292
29 batch processing time 0.958238
30 batch processing time 0.942150
31 batch processing time 0.960512
32 batch processing time 0.953345
33 batch processing time 0.962960
34 batch processing time 0.959877
35 batch processing time 0.951552
36 batch processing time 0.961272
37 batch processing time 0.947020
38 batch processing time 0.957132
prediction.txt, please have a check!
exe_path
daq_raw_score.pdb
total different chains: {'A'}
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[['A', ' N ', 166.729, 248.384, 184.553], ['A', ' CA ', 167.382, 247.114, 184.254], ['A', ' C ', 168.888, 247.245, 184.427], ['A', ' O ', 169.393, 248.347, 184.649], ['A', ' H ', 167.319, 249.162, 184.295], ['A', '1HA ', 166.999, 246.341, 184.921], ['A', '2HA ', 167.149, 246.811, 183.233]]
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[['A', ' N ', 168.52, 187.334, 218.905], ['A', ' CA ', 167.153, 187.096, 219.355], ['A', ' C ', 166.573, 185.809, 218.794], ['A', ' O ', 167.419, 184.999, 218.4], ['A', ' CB ', 166.268, 188.243, 218.933], ['A', ' OG ', 166.204, 188.326, 217.532], ['A', ' H ', 168.745, 187.137, 217.941], ['A', ' HA ', 167.151, 187.024, 220.444], ['A', '1HB ', 165.266, 188.088, 219.336], ['A', '2HB ', 166.651, 189.175, 219.346], ['A', ' HG ', 165.556, 189.008, 217.34]]
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[['A', ' N ', 182.467, 197.247, 213.456], ['A', ' CA ', 181.791, 198.2, 214.37], ['A', ' C ', 180.291, 197.861, 214.379], ['A', ' O ', 179.553, 198.179, 213.442], ['A', ' CB ', 182.018, 199.665, 213.991], ['A', ' CG ', 181.444, 200.655, 215.046], ['A', ' OD1', 180.836, 200.196, 215.985], ['A', ' OD2', 181.64, 201.845, 214.904], ['A', ' H ', 181.958, 196.922, 212.645], ['A', ' HA ', 182.173, 198.053, 215.376], ['A', '1HB ', 183.089, 199.851, 213.882], ['A', '2HB ', 181.554, 199.865, 213.026]]
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[['A', ' N ', 140.716, 199.173, 194.705], ['A', ' CA ', 141.948, 198.447, 194.937], ['A', ' C ', 143.107, 199.403, 194.924], ['A', ' O ', 144.044, 199.29, 195.722], ['A', ' CB ', 142.158, 197.389, 193.876], ['A', ' H ', 140.192, 199.033, 193.845], ['A', ' HA ', 141.893, 197.977, 195.921], ['A', '1HB ', 143.074, 196.853, 194.078], ['A', '2HB ', 141.319, 196.689, 193.886], ['A', '3HB ', 142.227, 197.858, 192.896]]
[['A', ' N ', 143.025, 200.381, 194.029], ['A', ' CA ', 144.092, 201.322, 193.93], ['A', ' C ', 143.864, 202.368, 194.968], ['A', ' O ', 144.809, 202.885, 195.543], ['A', ' CB ', 144.168, 201.959, 192.544], ['A', ' CG ', 144.487, 201.036, 191.353], ['A', ' CD1', 144.501, 201.883, 190.111], ['A', ' CD2', 145.825, 200.312, 191.515], ['A', ' H ', 142.213, 200.449, 193.424], ['A', ' HA ', 145.031, 200.825, 194.157], ['A', '1HB ', 143.187, 202.407, 192.339], ['A', '2HB ', 144.88, 202.758, 192.546], ['A', ' HG ', 143.694, 200.294, 191.259], ['A', '1HD1', 144.69, 201.267, 189.274], ['A', '2HD1', 143.543, 202.377, 189.991], ['A', '3HD1', 145.279, 202.642, 190.181], ['A', '1HD2', 145.994, 199.672, 190.646], ['A', '2HD2', 146.633, 201.024, 191.588], ['A', '3HD2', 145.807, 199.699, 192.403]]
[['A', ' N ', 142.615, 202.674, 195.268], ['A', ' CA ', 142.417, 203.679, 196.279], ['A', ' C ', 143.018, 203.214, 197.595], ['A', ' O ', 143.657, 204.004, 198.292], ['A', ' CB ', 140.955, 203.972, 196.452], ['A', ' H ', 141.829, 202.266, 194.758], ['A', ' HA ', 142.934, 204.585, 195.963], ['A', '1HB ', 140.83, 204.747, 197.198], ['A', '2HB ', 140.54, 204.305, 195.498], ['A', '3HB ', 140.454, 203.071, 196.776]]
[['A', ' N ', 142.871, 201.927, 197.924], ['A', ' CA ', 143.444, 201.455, 199.164], ['A', ' C ', 144.941, 201.456, 199.097], ['A', ' O ', 145.596, 201.89, 200.047], ['A', ' CB ', 142.956, 200.064, 199.534], ['A', ' CG ', 143.481, 199.592, 200.9], ['A', ' CD ', 142.891, 198.291, 201.359], ['A', ' OE1', 142.113, 197.726, 200.64], ['A', ' OE2', 143.21, 197.868, 202.443], ['A', ' H ', 142.307, 201.295, 197.346], ['A', ' HA ', 143.155, 202.138, 199.956], ['A', '1HB ', 141.868, 200.052, 199.552], ['A', '2HB ', 143.28, 199.351, 198.771], ['A', '1HG ', 144.564, 199.471, 200.84], ['A', '2HG ', 143.274, 200.365, 201.639]]
[['A', ' N ', 145.508, 200.998, 197.989], ['A', ' CA ', 146.942, 200.956, 197.94], ['A', ' C ', 147.487, 202.378, 198.031], ['A', ' O ', 148.505, 202.604, 198.688], ['A', ' CB ', 147.443, 200.155, 196.751], ['A', ' CG ', 148.912, 199.896, 196.84], ['A', ' CD1', 149.408, 198.962, 197.716], ['A', ' CD2', 149.749, 200.579, 196.078], ['A', ' CE1', 150.772, 198.766, 197.798], ['A', ' CE2', 151.084, 200.401, 196.146], ['A', ' CZ ', 151.611, 199.517, 196.985], ['A', ' OH ', 152.992, 199.376, 197.029], ['A', ' H ', 144.95, 200.623, 197.213], ['A', ' HA ', 147.289, 200.432, 198.823], ['A', '1HB ', 146.925, 199.2, 196.711], ['A', '2HB ', 147.225, 200.679, 195.833], ['A', ' HD1', 148.737, 198.39, 198.35], ['A', ' HD2', 149.361, 201.278, 195.407], ['A', ' HE1', 151.183, 198.032, 198.495], ['A', ' HE2', 151.743, 200.985, 195.505], ['A', ' HH ', 153.427, 200.034, 196.416]]
[['A', ' N ', 146.822, 203.338, 197.385], ['A', ' CA ', 147.244, 204.725, 197.417], ['A', ' C ', 147.239, 205.248, 198.834], ['A', ' O ', 148.188, 205.911, 199.256], ['A', ' CB ', 146.329, 205.586, 196.579], ['A', ' OG ', 146.724, 206.929, 196.62], ['A', ' H ', 146.006, 203.095, 196.835], ['A', ' HA ', 148.257, 204.788, 197.026], ['A', '1HB ', 146.332, 205.235, 195.562], ['A', '2HB ', 145.312, 205.496, 196.94], ['A', ' HG ', 146.167, 207.385, 195.985]]
[['A', ' N ', 146.188, 204.945, 199.595], ['A', ' CA ', 146.135, 205.389, 200.974], ['A', ' C ', 147.254, 204.765, 201.783], ['A', ' O ', 147.822, 205.421, 202.654], ['A', ' CB ', 144.808, 205.053, 201.614], ['A', ' CG ', 143.658, 205.881, 201.11], ['A', ' CD ', 142.462, 205.733, 201.951], ['A', ' NE ', 141.958, 204.357, 201.974], ['A', ' CZ ', 141.11, 203.816, 201.074], ['A', ' NH1', 140.684, 204.518, 200.049], ['A', ' NH2', 140.711, 202.564, 201.225], ['A', ' H ', 145.392, 204.445, 199.181], ['A', ' HA ', 146.255, 206.471, 200.991], ['A', '1HB ', 144.575, 204.004, 201.424], ['A', '2HB ', 144.874, 205.189, 202.691], ['A', '1HG ', 143.95, 206.93, 201.118], ['A', '2HG ', 143.41, 205.591, 200.102], ['A', '1HD ', 142.714, 206.017, 202.973], ['A', '2HD ', 141.673, 206.388, 201.59], ['A', ' HE ', 142.253, 203.769, 202.744], ['A', '1HH1', 140.988, 205.473, 199.925], ['A', '2HH1', 140.052, 204.103, 199.38], ['A', '1HH2', 141.039, 202.016, 202.012], ['A', '2HH2', 140.085, 202.15, 200.55]]
[['A', ' N ', 147.592, 203.51, 201.51], ['A', ' CA ', 148.682, 202.889, 202.243], ['A', ' C ', 150.0, 203.574, 201.918], ['A', ' O ', 150.816, 203.799, 202.813], ['A', ' CB ', 148.803, 201.405, 201.893], ['A', ' CG ', 147.678, 200.479, 202.364], ['A', ' CD1', 147.874, 199.106, 201.731], ['A', ' CD2', 147.688, 200.359, 203.878], ['A', ' H ', 147.042, 202.979, 200.827], ['A', ' HA ', 148.499, 203.014, 203.303], ['A', '1HB ', 148.86, 201.315, 200.811], ['A', '2HB ', 149.738, 201.035, 202.312], ['A', ' HG ', 146.718, 200.873, 202.038], ['A', '1HD1', 147.067, 198.443, 202.05], ['A', '2HD1', 147.857, 199.195, 200.655], ['A', '3HD1', 148.832, 198.692, 202.043], ['A', '1HD2', 146.883, 199.687, 204.182], ['A', '2HD2', 148.644, 199.953, 204.211], ['A', '3HD2', 147.528, 201.326, 204.339]]
[['A', ' N ', 150.2, 203.947, 200.656], ['A', ' CA ', 151.422, 204.647, 200.276], ['A', ' C ', 151.446, 206.044, 200.869], ['A', ' O ', 152.495, 206.562, 201.258], ['A', ' CB ', 151.509, 204.819, 198.766], ['A', ' CG ', 151.673, 203.594, 197.911], ['A', ' CD1', 151.6, 204.041, 196.467], ['A', ' CD2', 152.961, 202.912, 198.2], ['A', ' H ', 149.516, 203.671, 199.945], ['A', ' HA ', 152.275, 204.104, 200.663], ['A', '1HB ', 150.587, 205.3, 198.441], ['A', '2HB ', 152.336, 205.491, 198.546], ['A', ' HG ', 150.859, 202.905, 198.092], ['A', '1HD1', 151.692, 203.195, 195.81], ['A', '2HD1', 150.653, 204.528, 196.301], ['A', '3HD1', 152.41, 204.742, 196.254], ['A', '1HD2', 153.061, 202.051, 197.557], ['A', '2HD2', 153.792, 203.598, 198.006], ['A', '3HD2', 152.994, 202.585, 199.23]]
[['A', ' N ', 150.274, 206.659, 200.92], ['A', ' CA ', 150.087, 207.995, 201.433], ['A', ' C ', 148.838, 208.044, 202.301], ['A', ' O ', 148.215, 209.097, 202.449], ['A', ' CB ', 149.975, 208.986, 200.29], ['A', ' H ', 149.461, 206.176, 200.534], ['A', ' HA ', 150.942, 208.25, 202.056], ['A', '1HB ', 149.844, 209.989, 200.684], ['A', '2HB ', 150.879, 208.944, 199.69], ['A', '3HB ', 149.112, 208.72, 199.67]]
daq_score_w9.pdb
daq_score_atom_w9.pdb
Please open it in pymol and visualize it by putting the following command to Pymol:
----------------------------------------------------------------------------------------------------
spectrum b, red_white_blue, all, -1,1
----------------------------------------------------------------------------------------------------
gcc -std=c99 -o DAQscore_colab main.c chkcmdline.o mrc.o readpdb.o thread.o dp.o -lm -O3 -msse4.2 -msse -msse2 -msse3 -mmmx -ftree-vectorize -ftree-vectorizer-verbose=3 -ffast-math -march=native -funroll-loops -fopenmp
rank_004_alphafold2_ptm_model_4_seed_000_af2 existed
Origin: (0., 0., 0.)
Previous voxel size: 1.0
----------------------------------------------------------------------------------------------------
resizing finished!
----------------------------------------------------------------------------------------------------
Finished processing model input!
0 batch processing time 0.999174
1 batch processing time 0.975009
2 batch processing time 0.973978
3 batch processing time 0.966986
4 batch processing time 0.974708
5 batch processing time 0.978417
6 batch processing time 0.968145
7 batch processing time 0.952333
8 batch processing time 0.957675
9 batch processing time 0.958625
10 batch processing time 0.979748
11 batch processing time 0.966339
12 batch processing time 0.972084
13 batch processing time 0.971490
14 batch processing time 0.964752
15 batch processing time 0.964717
16 batch processing time 0.955906
17 batch processing time 0.954947
18 batch processing time 0.949676
19 batch processing time 0.959774
20 batch processing time 0.953953
21 batch processing time 0.951656
22 batch processing time 1.078378
23 batch processing time 1.161637
24 batch processing time 1.190722
25 batch processing time 1.214324
26 batch processing time 1.135426
27 batch processing time 1.145326
28 batch processing time 1.214175
29 batch processing time 1.172314
30 batch processing time 1.167960
31 batch processing time 1.189489
32 batch processing time 1.137522
33 batch processing time 1.162799
34 batch processing time 0.984030
35 batch processing time 0.963355
36 batch processing time 0.963446
37 batch processing time 0.962562
prediction.txt, please have a check!
exe_path
daq_raw_score.pdb
total different chains: {'A'}
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[['A', ' N ', 202.246, 191.294, 180.885], ['A', ' CA ', 200.853, 191.477, 180.443], ['A', ' C ', 200.029, 191.911, 181.671], ['A', ' O ', 200.455, 191.663, 182.799], ['A', ' CB ', 200.325, 190.158, 179.864], ['A', ' CG ', 201.066, 189.686, 178.598], ['A', ' CD ', 200.581, 188.361, 178.058], ['A', ' OE1', 199.719, 187.78, 178.663], ['A', ' OE2', 201.084, 187.933, 177.048], ['A', ' H ', 202.564, 190.345, 180.997], ['A', ' HA ', 200.811, 192.26, 179.687], ['A', '1HB ', 200.404, 189.373, 180.617], ['A', '2HB ', 199.271, 190.269, 179.616], ['A', '1HG ', 200.938, 190.444, 177.826], ['A', '2HG ', 202.131, 189.614, 178.813]]
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[['A', ' N ', 142.603, 202.657, 195.266], ['A', ' CA ', 142.397, 203.681, 196.255], ['A', ' C ', 143.017, 203.252, 197.574], ['A', ' O ', 143.665, 204.059, 198.244], ['A', ' CB ', 140.927, 203.952, 196.432], ['A', ' H ', 141.82, 202.225, 194.768], ['A', ' HA ', 142.894, 204.589, 195.917], ['A', '1HB ', 140.792, 204.741, 197.163], ['A', '2HB ', 140.498, 204.26, 195.476], ['A', '3HB ', 140.44, 203.05, 196.779]]
[['A', ' N ', 142.884, 201.971, 197.929], ['A', ' CA ', 143.471, 201.53, 199.173], ['A', ' C ', 144.968, 201.534, 199.101], ['A', ' O ', 145.627, 201.989, 200.039], ['A', ' CB ', 142.993, 200.142, 199.57], ['A', ' CG ', 143.535, 199.686, 200.939], ['A', ' CD ', 142.963, 198.382, 201.407], ['A', ' OE1', 142.188, 197.805, 200.693], ['A', ' OE2', 143.29, 197.967, 202.49], ['A', ' H ', 142.324, 201.322, 197.365], ['A', ' HA ', 143.184, 202.224, 199.952], ['A', '1HB ', 141.904, 200.131, 199.603], ['A', '2HB ', 143.304, 199.42, 198.81], ['A', '1HG ', 144.618, 199.577, 200.87], ['A', '2HG ', 143.326, 200.46, 201.676]]
[['A', ' N ', 145.532, 201.048, 198.005], ['A', ' CA ', 146.966, 200.996, 197.948], ['A', ' C ', 147.523, 202.415, 198.001], ['A', ' O ', 148.548, 202.648, 198.644], ['A', ' CB ', 147.448, 200.173, 196.768], ['A', ' CG ', 148.911, 199.898, 196.841], ['A', ' CD1', 149.407, 198.961, 197.715], ['A', ' CD2', 149.745, 200.567, 196.067], ['A', ' CE1', 150.771, 198.746, 197.778], ['A', ' CE2', 151.078, 200.369, 196.122], ['A', ' CZ ', 151.606, 199.483, 196.956], ['A', ' OH ', 152.988, 199.323, 196.984], ['A', ' H ', 144.972, 200.658, 197.239], ['A', ' HA ', 147.317, 200.49, 198.839], ['A', '1HB ', 146.918, 199.221, 196.746], ['A', '2HB ', 147.227, 200.689, 195.844], ['A', ' HD1', 148.733, 198.397, 198.358], ['A', ' HD2', 149.358, 201.267, 195.402], ['A', ' HE1', 151.183, 198.013, 198.47], ['A', ' HE2', 151.74, 200.936, 195.472], ['A', ' HH ', 153.425, 199.966, 196.356]]
[['A', ' N ', 146.866, 203.36, 197.331], ['A', ' CA ', 147.303, 204.745, 197.317], ['A', ' C ', 147.322, 205.31, 198.714], ['A', ' O ', 148.286, 205.975, 199.104], ['A', ' CB ', 146.371, 205.586, 196.482], ['A', ' OG ', 146.772, 206.928, 196.476], ['A', ' H ', 146.04, 203.113, 196.792], ['A', ' HA ', 148.309, 204.792, 196.905], ['A', '1HB ', 146.336, 205.208, 195.48], ['A', '2HB ', 145.363, 205.509, 196.88], ['A', ' HG ', 146.256, 207.352, 195.785]]
[['A', ' N ', 146.273, 205.041, 199.49], ['A', ' CA ', 146.244, 205.533, 200.85], ['A', ' C ', 147.366, 204.924, 201.667], ['A', ' O ', 147.987, 205.615, 202.471], ['A', ' CB ', 144.923, 205.226, 201.512], ['A', ' CG ', 143.759, 206.039, 200.994], ['A', ' CD ', 142.568, 205.916, 201.861], ['A', ' NE ', 142.065, 204.535, 201.938], ['A', ' CZ ', 141.206, 203.957, 201.069], ['A', ' NH1', 140.761, 204.62, 200.028], ['A', ' NH2', 140.811, 202.709, 201.274], ['A', ' H ', 145.468, 204.536, 199.1], ['A', ' HA ', 146.376, 206.613, 200.828], ['A', '1HB ', 144.686, 204.172, 201.357], ['A', '2HB ', 145.004, 205.392, 202.584], ['A', '1HG ', 144.046, 207.09, 200.961], ['A', '2HG ', 143.498, 205.714, 200.0], ['A', '1HD ', 142.834, 206.232, 202.87], ['A', '2HD ', 141.773, 206.559, 201.49], ['A', ' HE ', 142.372, 203.977, 202.724], ['A', '1HH1', 141.061, 205.568, 199.863], ['A', '2HH1', 140.123, 204.176, 199.383], ['A', '1HH2', 141.155, 202.19, 202.074], ['A', '2HH2', 140.172, 202.266, 200.627]]
[['A', ' N ', 147.661, 203.644, 201.449], ['A', ' CA ', 148.745, 203.026, 202.191], ['A', ' C ', 150.083, 203.652, 201.832], ['A', ' O ', 150.917, 203.876, 202.71], ['A', ' CB ', 148.813, 201.528, 201.889], ['A', ' CG ', 147.664, 200.66, 202.411], ['A', ' CD1', 147.781, 199.268, 201.813], ['A', ' CD2', 147.717, 200.572, 203.924], ['A', ' H ', 147.079, 203.093, 200.809], ['A', ' HA ', 148.577, 203.195, 203.248], ['A', '1HB ', 148.857, 201.399, 200.81], ['A', '2HB ', 149.738, 201.141, 202.312], ['A', ' HG ', 146.712, 201.087, 202.104], ['A', '1HD1', 146.954, 198.651, 202.175], ['A', '2HD1', 147.732, 199.327, 200.736], ['A', '3HD1', 148.728, 198.821, 202.107], ['A', '1HD2', 146.897, 199.944, 204.27], ['A', '2HD2', 148.667, 200.134, 204.233], ['A', '3HD2', 147.616, 201.555, 204.367]]
[['A', ' N ', 150.29, 203.967, 200.555], ['A', ' CA ', 151.539, 204.591, 200.151], ['A', ' C ', 151.662, 206.003, 200.673], ['A', ' O ', 152.736, 206.443, 201.09], ['A', ' CB ', 151.616, 204.732, 198.643], ['A', ' CG ', 151.723, 203.512, 197.802], ['A', ' CD1', 151.63, 203.968, 196.353], ['A', ' CD2', 153.003, 202.792, 198.073], ['A', ' H ', 149.588, 203.702, 199.861], ['A', ' HA ', 152.366, 204.009, 200.546], ['A', '1HB ', 150.702, 205.235, 198.335], ['A', '2HB ', 152.456, 205.381, 198.403], ['A', ' HG ', 150.893, 202.849, 198.001], ['A', '1HD1', 151.685, 203.13, 195.685], ['A', '2HD1', 150.692, 204.482, 196.211], ['A', '3HD1', 152.456, 204.648, 196.13], ['A', '1HD2', 153.075, 201.93, 197.436], ['A', '2HD2', 153.849, 203.452, 197.864], ['A', '3HD2', 153.044, 202.466, 199.105]]
[['A', ' N ', 150.557, 206.725, 200.657], ['A', ' CA ', 150.543, 208.101, 201.089], ['A', ' C ', 151.16, 208.22, 202.471], ['A', ' O ', 151.009, 209.246, 203.14], ['A', ' CB ', 149.123, 208.636, 201.083], ['A', ' H ', 149.698, 206.319, 200.275], ['A', ' HA ', 151.147, 208.682, 200.395], ['A', '1HB ', 149.123, 209.682, 201.388], ['A', '2HB ', 148.709, 208.547, 200.074], ['A', '3HB ', 148.517, 208.052, 201.773]]
daq_score_w9.pdb
daq_score_atom_w9.pdb
Please open it in pymol and visualize it by putting the following command to Pymol:
----------------------------------------------------------------------------------------------------
spectrum b, red_white_blue, all, -1,1
----------------------------------------------------------------------------------------------------
gcc -std=c99 -o DAQscore_colab main.c chkcmdline.o mrc.o readpdb.o thread.o dp.o -lm -O3 -msse4.2 -msse -msse2 -msse3 -mmmx -ftree-vectorize -ftree-vectorizer-verbose=3 -ffast-math -march=native -funroll-loops -fopenmp
rank_003_alphafold2_ptm_model_3_seed_000_af2 existed
Origin: (0., 0., 0.)
Previous voxel size: 1.0
----------------------------------------------------------------------------------------------------
resizing finished!
----------------------------------------------------------------------------------------------------
Finished processing model input!
0 batch processing time 1.196676
1 batch processing time 1.208203
2 batch processing time 1.137828
3 batch processing time 1.187345
4 batch processing time 1.107112
5 batch processing time 1.113681
6 batch processing time 1.137497
7 batch processing time 1.143038
8 batch processing time 1.195454
9 batch processing time 1.133024
10 batch processing time 1.127321
11 batch processing time 1.189834
12 batch processing time 1.131976
13 batch processing time 1.198119
14 batch processing time 1.105596
15 batch processing time 1.128246
16 batch processing time 1.193654
17 batch processing time 1.091586
18 batch processing time 1.155452
19 batch processing time 1.164095
20 batch processing time 1.168922
21 batch processing time 1.176997
22 batch processing time 1.105507
23 batch processing time 1.136485
24 batch processing time 1.181564
25 batch processing time 1.120375
26 batch processing time 1.129976
27 batch processing time 1.146191
28 batch processing time 1.163504
29 batch processing time 1.122593
30 batch processing time 1.133886
31 batch processing time 1.156005
32 batch processing time 1.140960
33 batch processing time 1.132310
34 batch processing time 1.130927
35 batch processing time 1.189529
36 batch processing time 1.150688
37 batch processing time 1.158648
38 batch processing time 1.174962
prediction.txt, please have a check!
exe_path
daq_raw_score.pdb
total different chains: {'A'}
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[['A', ' N ', 172.0, 176.45, 207.324], ['A', ' CA ', 170.962, 175.512, 207.781], ['A', ' C ', 169.564, 175.762, 207.229], ['A', ' O ', 168.855, 176.676, 207.651], ['A', ' CB ', 170.907, 175.438, 209.312], ['A', ' CG ', 172.167, 174.843, 209.954], ['A', ' CD ', 172.345, 173.374, 209.623], ['A', ' OE1', 171.364, 172.731, 209.319], ['A', ' OE2', 173.454, 172.903, 209.66], ['A', ' H ', 172.688, 176.089, 206.677], ['A', ' HA ', 171.255, 174.52, 207.436], ['A', '1HB ', 170.723, 176.415, 209.746], ['A', '2HB ', 170.074, 174.802, 209.601], ['A', '1HG ', 173.036, 175.392, 209.606], ['A', '2HG ', 172.107, 174.966, 211.035]]
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[['A', ' N ', 120.448, 213.298, 150.566], ['A', ' CA ', 120.997, 213.769, 149.299], ['A', ' C ', 120.105, 213.291, 148.169], ['A', ' O ', 120.53, 213.228, 147.016], ['A', ' CB ', 122.413, 213.27, 149.104], ['A', ' H ', 120.151, 212.334, 150.642], ['A', ' HA ', 120.994, 214.857, 149.297], ['A', '1HB ', 122.799, 213.64, 148.157], ['A', '2HB ', 123.036, 213.635, 149.921], ['A', '3HB ', 122.418, 212.18, 149.099]]
[['A', ' N ', 118.857, 212.989, 148.539], ['A', ' CA ', 117.807, 212.445, 147.685], ['A', ' C ', 118.168, 210.998, 147.336], ['A', ' O ', 119.341, 210.638, 147.384], ['A', ' CB ', 117.626, 213.279, 146.419], ['A', ' H ', 118.641, 213.142, 149.514], ['A', ' HA ', 116.881, 212.464, 148.256], ['A', '1HB ', 116.827, 212.868, 145.812], ['A', '2HB ', 117.378, 214.306, 146.696], ['A', '3HB ', 118.525, 213.281, 145.822]]
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[['A', ' N ', 199.636, 191.737, 190.87], ['A', ' CA ', 198.216, 191.496, 190.587], ['A', ' C ', 197.419, 191.343, 191.88], ['A', ' O ', 197.849, 190.621, 192.786], ['A', ' CB ', 198.059, 190.192, 189.767], ['A', ' CG ', 198.689, 190.2, 188.357], ['A', ' CD ', 198.519, 188.867, 187.608], ['A', ' OE1', 197.959, 187.956, 188.17], ['A', ' OE2', 198.95, 188.778, 186.489], ['A', ' H ', 200.288, 190.984, 190.697], ['A', ' HA ', 197.817, 192.341, 190.023], ['A', '1HB ', 198.493, 189.361, 190.323], ['A', '2HB ', 196.997, 189.978, 189.645], ['A', '1HG ', 198.221, 190.991, 187.771], ['A', '2HG ', 199.748, 190.434, 188.443]]
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[['A', ' N ', 193.155, 191.053, 193.508], ['A', ' CA ', 191.705, 191.005, 193.367], ['A', ' C ', 191.189, 191.881, 194.493], ['A', ' O ', 191.264, 191.501, 195.664], ['A', ' CB ', 191.171, 189.573, 193.469], ['A', ' CG ', 189.696, 189.466, 193.183], ['A', ' OD1', 189.095, 190.468, 192.912], ['A', ' OD2', 189.182, 188.374, 193.213], ['A', ' H ', 193.594, 190.484, 194.217], ['A', ' HA ', 191.407, 191.442, 192.414], ['A', '1HB ', 191.705, 188.939, 192.762], ['A', '2HB ', 191.358, 189.182, 194.469]]
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[['A', ' N ', 147.212, 186.627, 182.863], ['A', ' CA ', 147.941, 186.593, 181.61], ['A', ' C ', 149.126, 185.703, 181.663], ['A', ' O ', 149.592, 185.391, 182.761], ['A', ' CB ', 148.434, 188.014, 181.476], ['A', ' CG ', 148.628, 188.433, 182.856], ['A', ' CD ', 147.477, 187.829, 183.61], ['A', ' HA ', 147.279, 186.307, 180.784], ['A', '1HB ', 149.362, 188.04, 180.881], ['A', '2HB ', 147.685, 188.626, 180.935], ['A', '1HG ', 149.604, 188.066, 183.212], ['A', '2HG ', 148.672, 189.504, 182.913], ['A', '1HD ', 147.792, 187.617, 184.625], ['A', '2HD ', 146.62, 188.506, 183.564]]
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[['A', ' N ', 142.798, 201.865, 197.945], ['A', ' CA ', 143.341, 201.4, 199.203], ['A', ' C ', 144.839, 201.361, 199.16], ['A', ' O ', 145.495, 201.799, 200.109], ['A', ' CB ', 142.807, 200.023, 199.579], ['A', ' CG ', 143.315, 199.523, 200.949], ['A', ' CD ', 142.708, 198.217, 201.377], ['A', ' OE1', 141.869, 197.717, 200.676], ['A', ' OE2', 143.076, 197.72, 202.413], ['A', ' H ', 142.231, 201.232, 197.371], ['A', ' HA ', 143.061, 202.1, 199.979], ['A', '1HB ', 141.716, 200.052, 199.6], ['A', '2HB ', 143.096, 199.3, 198.812], ['A', '1HG ', 144.395, 199.396, 200.899], ['A', '2HG ', 143.104, 200.281, 201.701]]
[['A', ' N ', 145.405, 200.854, 198.071], ['A', ' CA ', 146.837, 200.774, 198.002], ['A', ' C ', 147.422, 202.163, 198.101], ['A', ' O ', 148.42, 202.348, 198.785], ['A', ' CB ', 147.323, 200.023, 196.776], ['A', ' CG ', 148.808, 199.839, 196.81], ['A', ' CD1', 149.373, 198.913, 197.652], ['A', ' CD2', 149.593, 200.579, 196.03], ['A', ' CE1', 150.75, 198.776, 197.692], ['A', ' CE2', 150.951, 200.454, 196.057], ['A', ' CZ ', 151.535, 199.575, 196.877], ['A', ' OH ', 152.929, 199.473, 196.89], ['A', ' H ', 144.837, 200.47, 197.307], ['A', ' HA ', 147.184, 200.222, 198.871], ['A', '1HB ', 146.849, 199.043, 196.725], ['A', '2HB ', 147.05, 200.57, 195.884], ['A', ' HD1', 148.738, 198.29, 198.296], ['A', ' HD2', 149.147, 201.264, 195.382], ['A', ' HE1', 151.213, 198.05, 198.357], ['A', ' HE2', 151.58, 201.065, 195.408], ['A', ' HH ', 153.335, 200.062, 196.196]]
[['A', ' N ', 146.827, 203.134, 197.415], ['A', ' CA ', 147.307, 204.501, 197.421], ['A', ' C ', 147.298, 205.07, 198.82], ['A', ' O ', 148.261, 205.711, 199.251], ['A', ' CB ', 146.414, 205.359, 196.569], ['A', ' OG ', 146.859, 206.673, 196.54], ['A', ' H ', 146.016, 202.917, 196.846], ['A', ' HA ', 148.32, 204.521, 197.027], ['A', '1HB ', 146.376, 204.971, 195.582], ['A', '2HB ', 145.402, 205.322, 196.96], ['A', ' HG ', 146.248, 207.127, 195.952]]
[['A', ' N ', 146.231, 204.833, 199.575], ['A', ' CA ', 146.212, 205.349, 200.931], ['A', ' C ', 147.313, 204.73, 201.776], ['A', ' O ', 147.921, 205.418, 202.596], ['A', ' CB ', 144.874, 205.084, 201.581], ['A', ' CG ', 143.74, 205.92, 201.035], ['A', ' CD ', 142.529, 205.841, 201.878], ['A', ' NE ', 141.992, 204.474, 201.961], ['A', ' CZ ', 141.145, 203.904, 201.076], ['A', ' NH1', 140.751, 204.558, 200.008], ['A', ' NH2', 140.711, 202.67, 201.288], ['A', ' H ', 145.416, 204.35, 199.18], ['A', ' HA ', 146.372, 206.424, 200.89], ['A', '1HB ', 144.611, 204.034, 201.431], ['A', '2HB ', 144.95, 205.254, 202.651], ['A', '1HG ', 144.056, 206.965, 200.993], ['A', '2HG ', 143.491, 205.588, 200.042], ['A', '1HD ', 142.778, 206.163, 202.889], ['A', '2HD ', 141.759, 206.496, 201.48], ['A', ' HE ', 142.258, 203.924, 202.766], ['A', '1HH1', 141.084, 205.495, 199.836], ['A', '2HH1', 140.122, 204.119, 199.351], ['A', '1HH2', 141.014, 202.158, 202.108], ['A', '2HH2', 140.079, 202.233, 200.628]]
[['A', ' N ', 147.557, 203.432, 201.598], ['A', ' CA ', 148.604, 202.746, 202.336], ['A', ' C ', 149.985, 203.2, 201.914], ['A', ' O ', 150.895, 203.334, 202.732], ['A', ' CB ', 148.519, 201.242, 202.075], ['A', ' CG ', 147.313, 200.507, 202.632], ['A', ' CD1', 147.277, 199.103, 202.047], ['A', ' CD2', 147.401, 200.44, 204.144], ['A', ' H ', 146.96, 202.904, 200.949], ['A', ' HA ', 148.485, 202.972, 203.392], ['A', '1HB ', 148.522, 201.091, 200.998], ['A', '2HB ', 149.413, 200.779, 202.481], ['A', ' HG ', 146.401, 201.022, 202.342], ['A', '1HD1', 146.402, 198.574, 202.434], ['A', '2HD1', 147.204, 199.169, 200.966], ['A', '3HD1', 148.18, 198.563, 202.318], ['A', '1HD2', 146.533, 199.901, 204.527], ['A', '2HD2', 148.312, 199.916, 204.438], ['A', '3HD2', 147.409, 201.436, 204.566]]
[['A', ' N ', 150.131, 203.425, 200.623], ['A', ' CA ', 151.363, 203.82, 199.993], ['A', ' C ', 151.787, 205.218, 200.37], ['A', ' O ', 152.947, 205.473, 200.693], ['A', ' CB ', 151.151, 203.783, 198.491], ['A', ' CG ', 152.276, 204.171, 197.621], ['A', ' CD1', 153.434, 203.247, 197.828], ['A', ' CD2', 151.788, 204.159, 196.192], ['A', ' H ', 149.33, 203.253, 200.023], ['A', ' HA ', 152.13, 203.115, 200.302], ['A', '1HB ', 150.854, 202.774, 198.214], ['A', '2HB ', 150.331, 204.446, 198.263], ['A', ' HG ', 152.609, 205.176, 197.872], ['A', '1HD1', 154.245, 203.559, 197.18], ['A', '2HD1', 153.782, 203.283, 198.853], ['A', '3HD1', 153.141, 202.228, 197.579], ['A', '1HD2', 152.595, 204.457, 195.562], ['A', '2HD2', 151.462, 203.185, 195.914], ['A', '3HD2', 150.965, 204.849, 196.081]]
[['A', ' N ', 150.842, 206.133, 200.333], ['A', ' CA ', 151.103, 207.508, 200.644], ['A', ' C ', 151.901, 207.605, 201.932], ['A', ' O ', 151.85, 208.62, 202.631], ['A', ' CB ', 149.789, 208.255, 200.756], ['A', ' H ', 149.9, 205.873, 200.041], ['A', ' HA ', 151.698, 207.939, 199.838], ['A', '1HB ', 149.972, 209.303, 200.976], ['A', '2HB ', 149.246, 208.166, 199.812], ['A', '3HB ', 149.193, 207.806, 201.556]]
daq_score_w9.pdb
daq_score_atom_w9.pdb
Please open it in pymol and visualize it by putting the following command to Pymol:
----------------------------------------------------------------------------------------------------
spectrum b, red_white_blue, all, -1,1
----------------------------------------------------------------------------------------------------
gcc -std=c99 -o DAQscore_colab main.c chkcmdline.o mrc.o readpdb.o thread.o dp.o -lm -O3 -msse4.2 -msse -msse2 -msse3 -mmmx -ftree-vectorize -ftree-vectorizer-verbose=3 -ffast-math -march=native -funroll-loops -fopenmp
rank_002_alphafold2_ptm_model_2_seed_000_af2 existed
Origin: (0., 0., 0.)
Previous voxel size: 1.0
----------------------------------------------------------------------------------------------------
resizing finished!
----------------------------------------------------------------------------------------------------
Finished processing model input!
0 batch processing time 1.286386
1 batch processing time 1.210877
2 batch processing time 1.160140
3 batch processing time 1.216889
4 batch processing time 1.209353
5 batch processing time 1.229483
6 batch processing time 1.178187
7 batch processing time 1.224480
8 batch processing time 1.157197
9 batch processing time 1.173662
10 batch processing time 1.268446
11 batch processing time 1.195029
12 batch processing time 1.186297
13 batch processing time 1.196258
14 batch processing time 1.196242
15 batch processing time 1.165411
16 batch processing time 1.203496
17 batch processing time 1.142615
18 batch processing time 1.200332
19 batch processing time 1.161665
20 batch processing time 1.159579
21 batch processing time 1.227139
22 batch processing time 1.161428
23 batch processing time 1.228627
24 batch processing time 1.181609
25 batch processing time 1.198618
26 batch processing time 1.145131
27 batch processing time 1.211880
28 batch processing time 1.222312
29 batch processing time 1.232908
30 batch processing time 1.163405
31 batch processing time 1.164864
32 batch processing time 1.226763
33 batch processing time 1.207305
34 batch processing time 1.154042
35 batch processing time 1.230266
36 batch processing time 1.182124
37 batch processing time 1.211358
38 batch processing time 1.217331
39 batch processing time 1.162508
prediction.txt, please have a check!
exe_path
daq_raw_score.pdb
total different chains: {'A'}
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[['A', ' N ', 121.52, 259.097, 170.972], ['A', ' CA ', 121.876, 258.879, 172.368], ['A', ' C ', 123.278, 258.299, 172.477], ['A', ' O ', 123.309, 257.138, 172.887], ['A', ' CB ', 120.86, 257.955, 173.036], ['A', ' CG ', 119.44, 258.517, 173.105], ['A', ' SD ', 119.313, 260.077, 174.039], ['A', ' CE ', 119.615, 259.563, 175.734], ['A', ' H ', 122.133, 259.685, 170.42], ['A', ' HA ', 121.881, 259.838, 172.883], ['A', '1HB ', 120.81, 257.021, 172.478], ['A', '2HB ', 121.191, 257.709, 174.039], ['A', '1HG ', 119.089, 258.696, 172.089], ['A', '2HG ', 118.783, 257.783, 173.566], ['A', '1HE ', 119.552, 260.432, 176.392], ['A', '2HE ', 118.865, 258.829, 176.034], ['A', '3HE ', 120.606, 259.124, 175.818]]
[['A', ' N ', 123.999, 258.63, 171.407], ['A', ' CA ', 125.441, 258.873, 171.536], ['A', ' C ', 126.281, 257.654, 171.18], ['A', ' O ', 126.446, 256.73, 171.979], ['A', ' CB ', 125.802, 259.328, 172.945], ['A', ' OG ', 125.192, 260.557, 173.264], ['A', ' H ', 123.798, 258.027, 170.622], ['A', ' HA ', 125.714, 259.667, 170.84], ['A', '1HB ', 125.515, 258.569, 173.673], ['A', '2HB ', 126.886, 259.437, 173.008], ['A', ' HG ', 125.489, 260.775, 174.152]]
[['A', ' N ', 126.815, 257.682, 169.969], ['A', ' CA ', 127.657, 256.646, 169.393], ['A', ' C ', 129.069, 256.701, 169.972], ['A', ' O ', 129.499, 257.765, 170.42], ['A', ' CB ', 127.707, 256.83, 167.874], ['A', ' CG ', 126.339, 256.724, 167.196], ['A', ' CD ', 125.545, 258.027, 167.238], ['A', ' OE1', 125.999, 258.969, 167.867], ['A', ' OE2', 124.49, 258.072, 166.665], ['A', ' H ', 126.608, 258.491, 169.377], ['A', ' HA ', 127.221, 255.675, 169.623], ['A', '1HB ', 128.129, 257.806, 167.636], ['A', '2HB ', 128.359, 256.076, 167.434], ['A', '1HG ', 126.48, 256.434, 166.156], ['A', '2HG ', 125.764, 255.942, 167.69]]
[['A', ' N ', 129.768, 255.55, 169.928], ['A', ' CA ', 131.162, 255.331, 170.372], ['A', ' C ', 131.348, 253.909, 170.89], ['A', ' O ', 130.342, 253.378, 171.389], ['A', ' CB ', 131.602, 256.301, 171.45], ['A', ' OG ', 132.876, 255.978, 171.908], ['A', ' H ', 129.282, 254.755, 169.549], ['A', ' HA ', 131.825, 255.452, 169.507], ['A', '1HB ', 131.65, 257.304, 171.055], ['A', '2HB ', 130.891, 256.296, 172.272], ['A', ' HG ', 133.073, 256.601, 172.61]]
[['A', ' N ', 132.126, 253.175, 170.102], ['A', ' CA ', 133.314, 252.484, 170.606], ['A', ' C ', 134.61, 253.183, 170.21], ['A', ' O ', 135.099, 253.857, 171.117], ['A', ' H ', 131.606, 252.612, 169.449], ['A', '1HA ', 133.254, 252.412, 171.696], ['A', '2HA ', 133.319, 251.467, 170.222]]
[['A', ' N ', 135.441, 252.352, 169.571], ['A', ' CA ', 136.387, 252.892, 168.576], ['A', ' C ', 137.458, 253.804, 169.189], ['A', ' O ', 137.315, 254.992, 168.894], ['A', ' CB ', 135.647, 253.711, 167.509], ['A', ' CG ', 134.51, 253.014, 166.866], ['A', ' ND1', 134.661, 251.902, 166.063], ['A', ' CD2', 133.193, 253.284, 166.9], ['A', ' CE1', 133.469, 251.515, 165.646], ['A', ' NE2', 132.563, 252.339, 166.143], ['A', ' H ', 135.925, 251.716, 170.19], ['A', ' HA ', 136.903, 252.065, 168.087], ['A', '1HB ', 135.261, 254.635, 167.948], ['A', '2HB ', 136.349, 253.996, 166.727], ['A', ' HD1', 135.508, 251.629, 165.606], ['A', ' HD2', 132.614, 254.062, 167.397], ['A', ' HE1', 133.365, 250.644, 164.997]]
[['A', ' N ', 137.702, 253.488, 170.453], ['A', ' CA ', 138.983, 253.904, 171.008], ['A', ' C ', 140.156, 253.137, 170.413], ['A', ' O ', 139.989, 252.093, 169.775], ['A', ' CB ', 138.977, 253.75, 172.518], ['A', ' OG ', 138.946, 252.4, 172.901], ['A', ' H ', 136.928, 253.793, 171.042], ['A', ' HA ', 139.123, 254.961, 170.776], ['A', '1HB ', 139.856, 254.231, 172.939], ['A', '2HB ', 138.101, 254.258, 172.922], ['A', ' HG ', 138.914, 252.396, 173.861]]
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[['A', ' N ', 197.834, 216.931, 203.313], ['A', ' CA ', 197.392, 217.565, 204.548], ['A', ' C ', 195.963, 218.098, 204.466], ['A', ' O ', 195.343, 217.732, 203.466], ['A', ' CB ', 198.356, 218.714, 204.883], ['A', ' CG ', 199.792, 218.266, 205.196], ['A', ' CD ', 200.737, 219.421, 205.487], ['A', ' OE1', 200.506, 220.496, 204.984], ['A', ' OE2', 201.686, 219.219, 206.209], ['A', ' H ', 198.04, 217.496, 202.495], ['A', ' HA ', 197.432, 216.83, 205.352], ['A', '1HB ', 198.397, 219.409, 204.046], ['A', '2HB ', 197.985, 219.264, 205.746], ['A', '1HG ', 199.769, 217.601, 206.057], ['A', '2HG ', 200.173, 217.7, 204.348]]
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[['A', ' N ', 193.661, 222.35, 209.385], ['A', ' CA ', 193.171, 222.843, 210.677], ['A', ' C ', 193.681, 224.216, 211.111], ['A', ' O ', 194.593, 224.783, 210.498], ['A', ' CB ', 193.486, 221.869, 211.778], ['A', ' OG ', 193.024, 222.376, 213.004], ['A', ' H ', 193.094, 221.576, 209.075], ['A', ' HA ', 192.085, 222.917, 210.606], ['A', '1HB ', 193.015, 220.909, 211.57], ['A', '2HB ', 194.563, 221.708, 211.827], ['A', ' HG ', 193.246, 221.707, 213.664]]
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[['A', ' N ', 142.805, 201.985, 197.924], ['A', ' CA ', 143.396, 201.55, 199.167], ['A', ' C ', 144.892, 201.519, 199.072], ['A', ' O ', 145.579, 201.992, 199.981], ['A', ' CB ', 142.896, 200.177, 199.593], ['A', ' CG ', 143.452, 199.723, 200.958], ['A', ' CD ', 142.873, 198.427, 201.433], ['A', ' OE1', 142.075, 197.866, 200.731], ['A', ' OE2', 143.213, 198.0, 202.508], ['A', ' H ', 142.233, 201.336, 197.375], ['A', ' HA ', 143.139, 202.263, 199.94], ['A', '1HB ', 141.809, 200.189, 199.646], ['A', '2HB ', 143.18, 199.438, 198.839], ['A', '1HG ', 144.534, 199.604, 200.877], ['A', '2HG ', 143.261, 200.502, 201.697]]
[['A', ' N ', 145.426, 200.986, 197.982], ['A', ' CA ', 146.855, 200.903, 197.905], ['A', ' C ', 147.437, 202.304, 197.974], ['A', ' O ', 148.445, 202.513, 198.631], ['A', ' CB ', 147.315, 200.1, 196.703], ['A', ' CG ', 148.777, 199.85, 196.759], ['A', ' CD1', 149.282, 198.888, 197.602], ['A', ' CD2', 149.595, 200.567, 196.016], ['A', ' CE1', 150.646, 198.698, 197.669], ['A', ' CE2', 150.927, 200.392, 196.069], ['A', ' CZ ', 151.471, 199.48, 196.881], ['A', ' OH ', 152.86, 199.351, 196.92], ['A', ' H ', 144.849, 200.582, 197.236], ['A', ' HA ', 147.207, 200.375, 198.785], ['A', '1HB ', 146.791, 199.143, 196.681], ['A', '2HB ', 147.079, 200.628, 195.79], ['A', ' HD1', 148.607, 198.289, 198.223], ['A', ' HD2', 149.193, 201.282, 195.382], ['A', ' HE1', 151.069, 197.949, 198.336], ['A', ' HE2', 151.583, 200.999, 195.448], ['A', ' HH ', 153.289, 200.031, 196.326]]
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[['A', ' N ', 147.737, 203.677, 201.397], ['A', ' CA ', 148.809, 203.016, 202.12], ['A', ' C ', 150.188, 203.544, 201.743], ['A', ' O ', 151.176, 203.213, 202.398], ['A', ' CB ', 148.783, 201.508, 201.857], ['A', ' CG ', 147.573, 200.719, 202.385], ['A', ' CD1', 147.637, 199.295, 201.851], ['A', ' CD2', 147.578, 200.704, 203.9], ['A', ' H ', 147.175, 203.144, 200.721], ['A', ' HA ', 148.67, 203.21, 203.178], ['A', '1HB ', 148.835, 201.35, 200.784], ['A', '2HB ', 149.677, 201.073, 202.3], ['A', ' HG ', 146.654, 201.175, 202.035], ['A', '1HD1', 146.773, 198.733, 202.216], ['A', '2HD1', 147.619, 199.312, 200.77], ['A', '3HD1', 148.552, 198.818, 202.191], ['A', '1HD2', 146.718, 200.133, 204.25], ['A', '2HD2', 148.495, 200.238, 204.262], ['A', '3HD2', 147.51, 201.711, 204.291]]
[['A', ' N ', 150.287, 204.33, 200.677], ['A', ' CA ', 151.556, 204.878, 200.261], ['A', ' C ', 151.744, 206.255, 200.851], ['A', ' O ', 152.791, 206.885, 200.686], ['A', ' CB ', 151.631, 204.997, 198.745], ['A', ' CG ', 151.553, 203.722, 197.919], ['A', ' CD1', 151.566, 204.103, 196.438], ['A', ' CD2', 152.699, 202.822, 198.254], ['A', ' H ', 149.452, 204.632, 200.169], ['A', ' HA ', 152.357, 204.248, 200.634], ['A', '1HB ', 150.786, 205.61, 198.444], ['A', '2HB ', 152.549, 205.522, 198.479], ['A', ' HG ', 150.635, 203.21, 198.119], ['A', '1HD1', 151.501, 203.224, 195.825], ['A', '2HD1', 150.72, 204.742, 196.231], ['A', '3HD1', 152.492, 204.634, 196.202], ['A', '1HD2', 152.652, 201.935, 197.657], ['A', '2HD2', 153.64, 203.335, 198.041], ['A', '3HD2', 152.665, 202.537, 199.298]]
[['A', ' N ', 150.734, 206.753, 201.545], ['A', ' CA ', 150.822, 208.081, 202.097], ['A', ' C ', 152.022, 208.177, 203.03], ['A', ' O ', 151.887, 208.531, 204.202], ['A', ' CB ', 149.536, 208.425, 202.826], ['A', ' H ', 149.882, 206.209, 201.709], ['A', ' HA ', 150.969, 208.786, 201.278], ['A', '1HB ', 149.6, 209.435, 203.225], ['A', '2HB ', 148.699, 208.355, 202.129], ['A', '3HB ', 149.385, 207.716, 203.64]]
daq_score_w9.pdb
daq_score_atom_w9.pdb
Please open it in pymol and visualize it by putting the following command to Pymol:
----------------------------------------------------------------------------------------------------
spectrum b, red_white_blue, all, -1,1
----------------------------------------------------------------------------------------------------
gcc -std=c99 -o DAQscore_colab main.c chkcmdline.o mrc.o readpdb.o thread.o dp.o -lm -O3 -msse4.2 -msse -msse2 -msse3 -mmmx -ftree-vectorize -ftree-vectorizer-verbose=3 -ffast-math -march=native -funroll-loops -fopenmp
rank_001_alphafold2_ptm_model_1_seed_000_af2 existed
Origin: (0., 0., 0.)
Previous voxel size: 1.0
----------------------------------------------------------------------------------------------------
resizing finished!
----------------------------------------------------------------------------------------------------
Finished processing model input!
0 batch processing time 1.269811
1 batch processing time 1.183798
2 batch processing time 1.167572
3 batch processing time 1.220260
4 batch processing time 1.179289
5 batch processing time 1.165726
6 batch processing time 1.209471
7 batch processing time 1.146510
8 batch processing time 1.199125
9 batch processing time 1.160856
10 batch processing time 1.160816
11 batch processing time 1.147818
12 batch processing time 1.141758
13 batch processing time 1.156977
14 batch processing time 1.193413
15 batch processing time 1.136174
16 batch processing time 1.190665
17 batch processing time 1.135142
18 batch processing time 1.166183
19 batch processing time 1.157814
20 batch processing time 1.175295
21 batch processing time 1.166306
22 batch processing time 1.166090
23 batch processing time 1.205708
24 batch processing time 1.152664
25 batch processing time 1.156076
26 batch processing time 1.213350
27 batch processing time 1.135854
28 batch processing time 1.170969
29 batch processing time 1.193664
30 batch processing time 1.143626
31 batch processing time 1.184730
32 batch processing time 1.212847
33 batch processing time 1.176980
34 batch processing time 1.204830
35 batch processing time 1.132659
36 batch processing time 1.209413
37 batch processing time 1.176848
38 batch processing time 1.193393
prediction.txt, please have a check!
exe_path
daq_raw_score.pdb
total different chains: {'A'}
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[['A', ' N ', 194.171, 203.096, 202.591], ['A', ' CA ', 193.376, 202.751, 203.78], ['A', ' C ', 192.297, 201.667, 203.538], ['A', ' O ', 191.305, 201.949, 202.883], ['A', ' CB ', 192.678, 204.011, 204.348], ['A', ' CG ', 191.869, 203.777, 205.636], ['A', ' CD ', 191.296, 205.047, 206.227], ['A', ' OE1', 191.694, 206.112, 205.824], ['A', ' OE2', 190.459, 204.945, 207.091], ['A', ' H ', 193.64, 203.594, 201.897], ['A', ' HA ', 194.064, 202.432, 204.545], ['A', '1HB ', 193.406, 204.782, 204.578], ['A', '2HB ', 192.003, 204.413, 203.601], ['A', '1HG ', 191.057, 203.083, 205.429], ['A', '2HG ', 192.522, 203.327, 206.363]]
[['A', ' N ', 192.459, 200.454, 204.089], ['A', ' CA ', 193.642, 199.954, 204.771], ['A', ' C ', 193.671, 198.45, 204.466], ['A', ' O ', 192.915, 198.117, 203.548], ['A', ' CB ', 193.637, 200.259, 206.279], ['A', ' CG ', 194.985, 200.005, 207.019], ['A', ' CD ', 195.003, 200.542, 208.414], ['A', ' NE ', 196.273, 200.237, 209.087], ['A', ' CZ ', 196.67, 200.718, 210.291], ['A', ' NH1', 195.908, 201.552, 210.963], ['A', ' NH2', 197.838, 200.34, 210.796], ['A', ' H ', 191.692, 199.802, 203.97], ['A', ' HA ', 194.55, 200.371, 204.329], ['A', '1HB ', 193.341, 201.269, 206.468], ['A', '2HB ', 192.901, 199.619, 206.76], ['A', '1HG ', 195.192, 198.956, 207.081], ['A', '2HG ', 195.79, 200.489, 206.467], ['A', '1HD ', 194.875, 201.625, 208.381], ['A', '2HD ', 194.194, 200.09, 208.987], ['A', ' HE ', 196.893, 199.593, 208.614], ['A', '1HH1', 195.019, 201.839, 210.588], ['A', '2HH1', 196.21, 201.902, 211.862], ['A', '1HH2', 198.427, 199.695, 210.286], ['A', '2HH2', 198.142, 200.691, 211.695]]
[['A', ' N ', 194.909, 197.96, 204.467], ['A', ' CA ', 195.109, 196.525, 204.712], ['A', ' C ', 194.626, 195.956, 206.041], ['A', ' O ', 194.781, 196.592, 207.082], ['A', ' CB ', 196.579, 196.164, 204.62], ['A', ' CG ', 197.217, 196.242, 203.262], ['A', ' CD ', 198.567, 195.659, 203.318], ['A', ' NE ', 199.249, 195.727, 202.047], ['A', ' CZ ', 199.128, 194.827, 201.04], ['A', ' NH1', 198.31, 193.781, 201.122], ['A', ' NH2', 199.847, 195.006, 199.943], ['A', ' H ', 195.419, 198.237, 203.647], ['A', ' HA ', 194.579, 196.023, 203.904], ['A', '1HB ', 197.141, 196.835, 205.266], ['A', '2HB ', 196.738, 195.161, 205.004], ['A', '1HG ', 196.616, 195.687, 202.538], ['A', '2HG ', 197.306, 197.276, 202.944], ['A', '1HD ', 199.165, 196.203, 204.049], ['A', '2HD ', 198.498, 194.613, 203.62], ['A', ' HE ', 199.891, 196.495, 201.908], ['A', '1HH1', 197.711, 193.607, 201.952], ['A', '2HH1', 198.243, 193.132, 200.354], ['A', '1HH2', 200.472, 195.801, 199.871], ['A', '2HH2', 199.779, 194.355, 199.175]]
[['A', ' N ', 194.089, 194.727, 206.041], ['A', ' CA ', 193.604, 193.452, 205.494], ['A', ' C ', 193.06, 192.563, 206.606], ['A', ' O ', 193.025, 191.339, 206.466], ['A', ' CB ', 194.736, 192.644, 204.827], ['A', ' CG ', 195.25, 193.197, 203.551], ['A', ' OD1', 194.575, 193.997, 202.958], ['A', ' OD2', 196.353, 192.857, 203.185], ['A', ' H ', 194.253, 194.868, 205.039], ['A', ' HA ', 192.809, 193.653, 204.775], ['A', '1HB ', 195.57, 192.558, 205.523], ['A', '2HB ', 194.384, 191.628, 204.633]]
[['A', ' N ', 192.657, 193.155, 207.72], ['A', ' CA ', 192.191, 192.358, 208.853], ['A', ' C ', 191.186, 193.127, 209.736], ['A', ' O ', 191.373, 194.33, 209.917], ['A', ' CB ', 193.421, 191.962, 209.662], ['A', ' H ', 192.704, 194.174, 207.777], ['A', ' HA ', 191.73, 191.466, 208.464], ['A', '1HB ', 193.165, 191.354, 210.492], ['A', '2HB ', 194.11, 191.413, 209.021], ['A', '3HB ', 193.903, 192.86, 210.024]]
[['A', ' N ', 190.144, 192.494, 210.344], ['A', ' CA ', 189.68, 191.08, 210.281], ['A', ' C ', 190.731, 190.018, 210.573], ['A', ' O ', 191.458, 190.145, 211.559], ['A', ' CB ', 189.002, 190.833, 208.935], ['A', ' OG ', 188.418, 189.57, 208.893], ['A', ' H ', 189.581, 193.085, 210.934], ['A', ' HA ', 188.908, 190.966, 211.04], ['A', '1HB ', 188.231, 191.587, 208.797], ['A', '2HB ', 189.687, 190.941, 208.111], ['A', ' HG ', 187.894, 189.547, 208.074]]
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[['A', ' N ', 188.743, 183.095, 211.25], ['A', ' CA ', 187.591, 182.417, 211.83], ['A', ' C ', 186.449, 183.214, 212.481], ['A', ' O ', 186.523, 183.631, 213.634], ['A', ' CB ', 188.148, 181.386, 212.84], ['A', ' OG1', 189.037, 180.469, 212.136], ['A', ' CG2', 187.002, 180.559, 213.465], ['A', ' H ', 189.111, 182.653, 210.419], ['A', ' HA ', 187.142, 181.845, 211.019], ['A', ' HB ', 188.705, 181.901, 213.626], ['A', ' HG1', 189.903, 180.916, 211.886], ['A', '1HG2', 187.425, 179.83, 214.153], ['A', '2HG2', 186.313, 181.192, 214.011], ['A', '3HG2', 186.461, 180.039, 212.677]]
[['A', ' N ', 185.327, 183.271, 211.753], ['A', ' CA ', 184.033, 183.73, 212.268], ['A', ' C ', 183.917, 185.16, 212.806], ['A', ' O ', 184.226, 186.117, 212.092], ['A', ' CB ', 183.58, 182.744, 213.34], ['A', ' OG ', 182.279, 183.016, 213.758], ['A', ' H ', 185.373, 182.945, 210.8], ['A', ' HA ', 183.323, 183.651, 211.444], ['A', '1HB ', 183.62, 181.736, 212.923], ['A', '2HB ', 184.255, 182.759, 214.194], ['A', ' HG ', 182.02, 182.277, 214.325]]
[['A', ' N ', 183.466, 185.246, 214.074], ['A', ' CA ', 183.157, 186.402, 214.951], ['A', ' C ', 181.698, 186.834, 214.748], ['A', ' O ', 181.197, 186.936, 213.625], ['A', ' CB ', 184.092, 187.638, 214.793], ['A', ' OG1', 183.933, 188.241, 213.512], ['A', ' CG2', 185.568, 187.25, 215.01], ['A', ' H ', 183.257, 184.345, 214.48], ['A', ' HA ', 183.255, 186.072, 215.986], ['A', ' HB ', 183.817, 188.372, 215.55], ['A', ' HG1', 184.094, 187.576, 212.831], ['A', '1HG2', 186.19, 188.138, 214.921], ['A', '2HG2', 185.691, 186.822, 216.0], ['A', '3HG2', 185.882, 186.521, 214.265]]
[['A', ' N ', 180.999, 187.014, 215.873], ['A', ' CA ', 179.58, 187.366, 215.899], ['A', ' C ', 179.187, 188.134, 217.162], ['A', ' O ', 179.856, 189.105, 217.522], ['A', ' CB ', 178.767, 186.088, 215.778], ['A', ' OG ', 177.396, 186.357, 215.713], ['A', ' H ', 181.478, 186.913, 216.755], ['A', ' HA ', 179.367, 187.998, 215.037], ['A', '1HB ', 179.074, 185.564, 214.87], ['A', '2HB ', 178.983, 185.424, 216.619], ['A', ' HG ', 176.974, 185.522, 215.462]]
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[['A', ' N ', 142.603, 202.7, 195.248], ['A', ' CA ', 142.405, 203.715, 196.245], ['A', ' C ', 143.017, 203.267, 197.564], ['A', ' O ', 143.667, 204.063, 198.246], ['A', ' CB ', 140.938, 203.994, 196.425], ['A', ' H ', 141.819, 202.277, 194.747], ['A', ' HA ', 142.907, 204.626, 195.915], ['A', '1HB ', 140.807, 204.776, 197.166], ['A', '2HB ', 140.512, 204.316, 195.475], ['A', '3HB ', 140.448, 203.089, 196.759]]
[['A', ' N ', 142.873, 201.982, 197.909], ['A', ' CA ', 143.45, 201.523, 199.153], ['A', ' C ', 144.949, 201.525, 199.095], ['A', ' O ', 145.599, 201.971, 200.042], ['A', ' CB ', 142.961, 200.134, 199.536], ['A', ' CG ', 143.493, 199.659, 200.906], ['A', ' CD ', 142.919, 198.346, 201.364], ['A', ' OE1', 142.153, 197.767, 200.64], ['A', ' OE2', 143.236, 197.928, 202.449], ['A', ' H ', 142.31, 201.343, 197.338], ['A', ' HA ', 143.163, 202.211, 199.938], ['A', '1HB ', 141.871, 200.129, 199.566], ['A', '2HB ', 143.268, 199.416, 198.771], ['A', '1HG ', 144.575, 199.554, 200.847], ['A', '2HG ', 143.275, 200.427, 201.648]]
[['A', ' N ', 145.519, 201.048, 197.997], ['A', ' CA ', 146.955, 200.996, 197.94], ['A', ' C ', 147.512, 202.411, 198.008], ['A', ' O ', 148.532, 202.635, 198.659], ['A', ' CB ', 147.437, 200.191, 196.746], ['A', ' CG ', 148.898, 199.908, 196.816], ['A', ' CD1', 149.388, 198.95, 197.674], ['A', ' CD2', 149.729, 200.591, 196.063], ['A', ' CE1', 150.747, 198.732, 197.735], ['A', ' CE2', 151.058, 200.388, 196.114], ['A', ' CZ ', 151.583, 199.48, 196.932], ['A', ' OH ', 152.973, 199.321, 196.963], ['A', ' H ', 144.961, 200.667, 197.225], ['A', ' HA ', 147.307, 200.482, 198.825], ['A', '1HB ', 146.896, 199.246, 196.693], ['A', '2HB ', 147.23, 200.736, 195.841], ['A', ' HD1', 148.71, 198.379, 198.305], ['A', ' HD2', 149.34, 201.308, 195.416], ['A', ' HE1', 151.164, 197.987, 198.408], ['A', ' HE2', 151.72, 200.973, 195.482], ['A', ' HH ', 153.415, 199.97, 196.344]]
[['A', ' N ', 146.862, 203.364, 197.346], ['A', ' CA ', 147.309, 204.744, 197.364], ['A', ' C ', 147.31, 205.28, 198.771], ['A', ' O ', 148.272, 205.93, 199.187], ['A', ' CB ', 146.399, 205.608, 196.538], ['A', ' OG ', 146.814, 206.943, 196.572], ['A', ' H ', 146.042, 203.129, 196.791], ['A', ' HA ', 148.322, 204.79, 196.973], ['A', '1HB ', 146.38, 205.258, 195.521], ['A', '2HB ', 145.385, 205.532, 196.918], ['A', ' HG ', 146.27, 207.401, 195.925]]
[['A', ' N ', 146.253, 205.009, 199.53], ['A', ' CA ', 146.22, 205.489, 200.895], ['A', ' C ', 147.356, 204.889, 201.703], ['A', ' O ', 147.964, 205.579, 202.523], ['A', ' CB ', 144.897, 205.158, 201.55], ['A', ' CG ', 143.721, 205.974, 201.05], ['A', ' CD ', 142.518, 205.821, 201.914], ['A', ' NE ', 142.017, 204.438, 201.952], ['A', ' CZ ', 141.159, 203.88, 201.069], ['A', ' NH1', 140.708, 204.567, 200.045], ['A', ' NH2', 140.77, 202.624, 201.242], ['A', ' H ', 145.444, 204.516, 199.128], ['A', ' HA ', 146.337, 206.573, 200.875], ['A', '1HB ', 144.662, 204.111, 201.345], ['A', '2HB ', 144.973, 205.272, 202.628], ['A', '1HG ', 144.005, 207.025, 201.049], ['A', '2HG ', 143.47, 205.68, 200.045], ['A', '1HD ', 142.772, 206.11, 202.935], ['A', '2HD ', 141.723, 206.471, 201.554], ['A', ' HE ', 142.325, 203.859, 202.723], ['A', '1HH1', 141.002, 205.522, 199.904], ['A', '2HH1', 140.07, 204.138, 199.389], ['A', '1HH2', 141.117, 202.088, 202.03], ['A', '2HH2', 140.134, 202.194, 200.584]]
[['A', ' N ', 147.654, 203.609, 201.479], ['A', ' CA ', 148.741, 202.959, 202.196], ['A', ' C ', 150.083, 203.57, 201.839], ['A', ' O ', 150.924, 203.773, 202.713], ['A', ' CB ', 148.78, 201.466, 201.871], ['A', ' CG ', 147.621, 200.609, 202.396], ['A', ' CD1', 147.705, 199.223, 201.771], ['A', ' CD2', 147.689, 200.497, 203.913], ['A', ' H ', 147.061, 203.068, 200.837], ['A', ' HA ', 148.587, 203.112, 203.261], ['A', '1HB ', 148.793, 201.359, 200.791], ['A', '2HB ', 149.709, 201.054, 202.255], ['A', ' HG ', 146.675, 201.059, 202.108], ['A', '1HD1', 146.873, 198.615, 202.13], ['A', '2HD1', 147.645, 199.303, 200.698], ['A', '3HD1', 148.643, 198.75, 202.044], ['A', '1HD2', 146.858, 199.877, 204.257], ['A', '2HD2', 148.632, 200.034, 204.207], ['A', '3HD2', 147.61, 201.474, 204.374]]
[['A', ' N ', 150.283, 203.906, 200.567], ['A', ' CA ', 151.536, 204.536, 200.178], ['A', ' C ', 151.633, 205.916, 200.786], ['A', ' O ', 152.696, 206.355, 201.227], ['A', ' CB ', 151.606, 204.735, 198.676], ['A', ' CG ', 151.698, 203.53, 197.793], ['A', ' CD1', 151.597, 204.013, 196.35], ['A', ' CD2', 152.976, 202.795, 198.039], ['A', ' H ', 149.579, 203.652, 199.868], ['A', ' HA ', 152.365, 203.941, 200.545], ['A', '1HB ', 150.705, 205.269, 198.382], ['A', '2HB ', 152.461, 205.374, 198.462], ['A', ' HG ', 150.867, 202.865, 197.985], ['A', '1HD1', 151.64, 203.186, 195.667], ['A', '2HD1', 150.664, 204.537, 196.219], ['A', '3HD1', 152.421, 204.688, 196.13], ['A', '1HD2', 153.039, 201.948, 197.385], ['A', '2HD2', 153.822, 203.452, 197.837], ['A', '3HD2', 153.028, 202.447, 199.058]]
[['A', ' N ', 150.501, 206.599, 200.819], ['A', ' CA ', 150.395, 207.926, 201.365], ['A', ' C ', 149.914, 207.835, 202.804], ['A', ' O ', 149.852, 208.851, 203.505], ['A', ' CB ', 149.437, 208.765, 200.543], ['A', ' H ', 149.666, 206.182, 200.4], ['A', ' HA ', 151.383, 208.388, 201.356], ['A', '1HB ', 149.367, 209.763, 200.969], ['A', '2HB ', 149.786, 208.832, 199.522], ['A', '3HB ', 148.452, 208.289, 200.559]]
daq_score_w9.pdb
daq_score_atom_w9.pdb
Please open it in pymol and visualize it by putting the following command to Pymol:
----------------------------------------------------------------------------------------------------
spectrum b, red_white_blue, all, -1,1
----------------------------------------------------------------------------------------------------
gcc -std=c99 -o DAQscore_colab main.c chkcmdline.o mrc.o readpdb.o thread.o dp.o -lm -O3 -msse4.2 -msse -msse2 -msse3 -mmmx -ftree-vectorize -ftree-vectorizer-verbose=3 -ffast-math -march=native -funroll-loops -fopenmp
rank_002_alphafold2_ptm_model_1_seed_000_s1 existed
Origin: (0., 0., 0.)
Previous voxel size: 1.0
----------------------------------------------------------------------------------------------------
resizing finished!
----------------------------------------------------------------------------------------------------
Finished processing model input!
0 batch processing time 1.175162
1 batch processing time 1.196944
2 batch processing time 1.150276
3 batch processing time 1.115125
4 batch processing time 1.153726
5 batch processing time 1.167079
6 batch processing time 1.143369
7 batch processing time 1.173042
8 batch processing time 1.122558
9 batch processing time 1.113168
10 batch processing time 1.175065
11 batch processing time 1.111423
12 batch processing time 1.161490
13 batch processing time 1.150976
14 batch processing time 1.127845
15 batch processing time 1.197881
16 batch processing time 1.113616
17 batch processing time 1.149755
18 batch processing time 1.135027
19 batch processing time 1.145653
20 batch processing time 1.171449
21 batch processing time 1.123034
22 batch processing time 1.140037
23 batch processing time 1.189202
24 batch processing time 1.121605
25 batch processing time 1.136104
26 batch processing time 1.177601
27 batch processing time 1.237860
28 batch processing time 1.172180
29 batch processing time 1.119104
30 batch processing time 1.198429
31 batch processing time 1.141478
32 batch processing time 1.189535
33 batch processing time 1.112934
34 batch processing time 1.116535
prediction.txt, please have a check!
exe_path
daq_raw_score.pdb
total different chains: {'A'}
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[['A', ' N ', 162.047, 241.504, 147.567], ['A', ' CA ', 161.692, 240.728, 148.753], ['A', ' C ', 160.798, 241.507, 149.699], ['A', ' O ', 160.196, 242.44, 149.162], ['A', ' CB ', 162.939, 240.292, 149.495], ['A', ' OG ', 163.61, 241.394, 150.045], ['A', ' H ', 162.94, 241.206, 147.209], ['A', ' HA ', 161.15, 239.838, 148.432], ['A', '1HB ', 162.657, 239.601, 150.294], ['A', '2HB ', 163.6, 239.758, 148.817], ['A', ' HG ', 164.378, 241.037, 150.5]]
[['A', ' N ', 160.112, 240.678, 150.479], ['A', ' CA ', 159.772, 241.124, 151.824], ['A', ' C ', 160.04, 239.993, 152.807], ['A', ' O ', 160.533, 238.993, 152.282], ['A', ' CB ', 158.298, 241.552, 151.885], ['A', ' CG ', 157.833, 242.144, 153.225], ['A', ' CD ', 156.4, 242.601, 153.188], ['A', ' OE1', 155.775, 242.435, 152.171], ['A', ' OE2', 155.932, 243.119, 154.173], ['A', ' H ', 159.313, 240.269, 150.018], ['A', ' HA ', 160.404, 241.972, 152.087], ['A', '1HB ', 158.11, 242.299, 151.111], ['A', '2HB ', 157.665, 240.694, 151.667], ['A', '1HG ', 157.928, 241.396, 154.009], ['A', '2HG ', 158.475, 242.985, 153.485]]
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[['A', ' N ', 160.254, 239.93, 157.555], ['A', ' CA ', 160.343, 240.58, 158.857], ['A', ' C ', 158.972, 241.062, 159.334], ['A', ' O ', 157.972, 240.871, 158.637], ['A', ' H ', 160.055, 238.934, 157.498], ['A', '1HA ', 160.754, 239.866, 159.569], ['A', '2HA ', 161.034, 241.421, 158.789]]
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[['A', ' N ', 206.428, 193.415, 175.586], ['A', ' CA ', 205.036, 192.992, 175.724], ['A', ' C ', 204.639, 192.486, 177.103], ['A', ' O ', 205.454, 191.949, 177.858], ['A', ' CB ', 204.744, 191.868, 174.732], ['A', ' CG ', 204.742, 192.319, 173.3], ['A', ' OD1', 204.579, 193.486, 173.056], ['A', ' OD2', 204.93, 191.492, 172.45], ['A', ' H ', 206.739, 193.222, 174.641], ['A', ' HA ', 204.402, 193.848, 175.486], ['A', '1HB ', 205.483, 191.079, 174.85], ['A', '2HB ', 203.766, 191.429, 174.963]]
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[['A', ' N ', 197.858, 196.318, 186.467], ['A', ' CA ', 196.847, 196.857, 187.363], ['A', ' C ', 197.534, 197.491, 188.579], ['A', ' O ', 198.039, 196.792, 189.459], ['A', ' CB ', 195.864, 195.735, 187.758], ['A', ' CG ', 195.063, 195.145, 186.544], ['A', ' CD ', 194.14, 193.993, 186.895], ['A', ' OE1', 194.208, 193.522, 188.002], ['A', ' OE2', 193.364, 193.592, 186.054], ['A', ' H ', 198.441, 195.563, 186.8], ['A', ' HA ', 196.289, 197.636, 186.842], ['A', '1HB ', 196.411, 194.922, 188.232], ['A', '2HB ', 195.146, 196.119, 188.483], ['A', '1HG ', 194.474, 195.945, 186.097], ['A', '2HG ', 195.776, 194.805, 185.789]]
[['A', ' N ', 197.618, 198.81, 188.576], ['A', ' CA ', 198.314, 199.572, 189.608], ['A', ' C ', 197.512, 200.844, 189.986], ['A', ' O ', 196.805, 201.343, 189.109], ['A', ' CB ', 199.69, 199.955, 189.055], ['A', ' CG ', 200.716, 198.808, 188.835], ['A', ' CD ', 202.008, 199.4, 188.386], ['A', ' NE ', 203.076, 198.439, 188.11], ['A', ' CZ ', 203.949, 197.923, 189.022], ['A', ' NH1', 203.876, 198.208, 190.31], ['A', ' NH2', 204.912, 197.124, 188.618], ['A', ' H ', 197.172, 199.312, 187.817], ['A', ' HA ', 198.422, 198.94, 190.485], ['A', '1HB ', 199.53, 200.385, 188.069], ['A', '2HB ', 200.154, 200.727, 189.649], ['A', '1HG ', 200.872, 198.276, 189.776], ['A', '2HG ', 200.364, 198.116, 188.075], ['A', '1HD ', 201.822, 199.958, 187.471], ['A', '2HD ', 202.358, 200.092, 189.155], ['A', ' HE ', 203.217, 198.183, 187.138], ['A', '1HH1', 203.156, 198.833, 190.702], ['A', '2HH1', 204.542, 197.811, 190.954], ['A', '1HH2', 205.022, 196.905, 187.633], ['A', '2HH2', 205.568, 196.744, 189.286]]
[['A', ' N ', 197.576, 201.427, 191.231], ['A', ' CA ', 198.256, 201.049, 192.508], ['A', ' C ', 198.09, 202.154, 193.589], ['A', ' O ', 198.631, 203.207, 193.26], ['A', ' CB ', 199.759, 200.796, 192.333], ['A', ' CG ', 200.535, 200.476, 193.574], ['A', ' CD ', 201.949, 200.102, 193.203], ['A', ' OE1', 202.148, 199.784, 192.05], ['A', ' OE2', 202.834, 200.176, 194.031], ['A', ' H ', 197.044, 202.279, 191.299], ['A', ' HA ', 197.797, 200.135, 192.885], ['A', '1HB ', 199.921, 199.925, 191.756], ['A', '2HB ', 200.232, 201.644, 191.832], ['A', '1HG ', 200.552, 201.334, 194.246], ['A', '2HG ', 200.059, 199.644, 194.087]]
[['A', ' N ', 196.866, 202.246, 194.142], ['A', ' CA ', 196.825, 202.794, 195.522], ['A', ' C ', 195.636, 202.226, 196.354], ['A', ' O ', 194.651, 201.847, 195.718], ['A', ' CB ', 196.765, 204.321, 195.449], ['A', ' CG ', 195.536, 204.925, 194.748], ['A', ' CD ', 195.61, 206.422, 194.736], ['A', ' NE ', 194.554, 207.047, 193.909], ['A', ' CZ ', 193.298, 207.351, 194.302], ['A', ' NH1', 192.889, 207.085, 195.526], ['A', ' NH2', 192.47, 207.924, 193.441], ['A', ' H ', 196.18, 202.693, 193.555], ['A', ' HA ', 197.764, 202.517, 195.959], ['A', '1HB ', 196.79, 204.729, 196.433], ['A', '2HB ', 197.643, 204.701, 194.936], ['A', '1HG ', 195.481, 204.586, 193.718], ['A', '2HG ', 194.63, 204.628, 195.279], ['A', '1HD ', 195.531, 206.8, 195.752], ['A', '2HD ', 196.574, 206.717, 194.321], ['A', ' HE ', 194.806, 207.28, 192.956], ['A', '1HH1', 193.513, 206.648, 196.187], ['A', '2HH1', 191.947, 207.319, 195.808], ['A', '1HH2', 192.779, 208.129, 192.501], ['A', '2HH2', 191.528, 208.16, 193.72]]
[['A', ' N ', 195.634, 202.112, 197.743], ['A', ' CA ', 196.54, 202.429, 198.914], ['A', ' C ', 196.359, 203.871, 199.492], ['A', ' O ', 196.563, 204.841, 198.775], ['A', ' CB ', 198.01, 202.178, 198.567], ['A', ' CG ', 198.281, 200.689, 198.197], ['A', ' CD ', 199.657, 200.406, 197.727], ['A', ' NE ', 199.78, 198.992, 197.339], ['A', ' CZ ', 200.867, 198.413, 196.78], ['A', ' NH1', 201.945, 199.12, 196.538], ['A', ' NH2', 200.842, 197.127, 196.469], ['A', ' H ', 194.768, 201.704, 198.064], ['A', ' HA ', 196.287, 201.711, 199.686], ['A', '1HB ', 198.401, 202.876, 197.866], ['A', '2HB ', 198.604, 202.352, 199.446], ['A', '1HG ', 198.101, 200.074, 199.08], ['A', '2HG ', 197.602, 200.376, 197.408], ['A', '1HD ', 199.875, 201.024, 196.855], ['A', '2HD ', 200.37, 200.614, 198.521], ['A', ' HE ', 198.974, 198.401, 197.502], ['A', '1HH1', 201.976, 200.104, 196.754], ['A', '2HH1', 202.75, 198.696, 196.096], ['A', '1HH2', 200.013, 196.578, 196.65], ['A', '2HH2', 201.65, 196.696, 196.047]]
[['A', ' N ', 195.956, 204.038, 200.79], ['A', ' CA ', 195.789, 203.011, 201.846], ['A', ' C ', 195.337, 203.661, 203.173], ['A', ' O ', 195.793, 204.791, 203.323], ['A', ' CB ', 197.139, 202.349, 202.226], ['A', ' CG ', 196.99, 201.133, 203.095], ['A', ' OD1', 195.892, 200.677, 203.203], ['A', ' OD2', 197.967, 200.661, 203.638], ['A', ' H ', 195.795, 204.991, 201.084], ['A', ' HA ', 195.038, 202.28, 201.544], ['A', '1HB ', 197.711, 202.072, 201.397], ['A', '2HB ', 197.73, 203.076, 202.785]]
[['A', ' N ', 194.035, 203.406, 203.466], ['A', ' CA ', 193.613, 203.18, 204.882], ['A', ' C ', 193.709, 204.368, 205.848], ['A', ' O ', 193.702, 205.479, 205.319], ['A', ' CB ', 194.42, 202.052, 205.5], ['A', ' H ', 193.396, 204.043, 203.005], ['A', ' HA ', 192.574, 202.867, 204.854], ['A', '1HB ', 194.052, 201.853, 206.502], ['A', '2HB ', 194.314, 201.155, 204.893], ['A', '3HB ', 195.471, 202.332, 205.552]]
[['A', ' N ', 192.892, 204.153, 206.904], ['A', ' CA ', 193.367, 204.459, 208.281], ['A', ' C ', 192.262, 204.94, 209.255], ['A', ' O ', 191.303, 205.509, 208.714], ['A', ' CB ', 194.463, 205.522, 208.215], ['A', ' OG ', 194.895, 205.896, 209.483], ['A', ' H ', 191.945, 204.475, 206.755], ['A', ' HA ', 193.797, 203.543, 208.691], ['A', '1HB ', 195.312, 205.14, 207.649], ['A', '2HB ', 194.085, 206.401, 207.691], ['A', ' HG ', 195.632, 206.494, 209.346]]
[['A', ' N ', 192.019, 204.017, 210.231], ['A', ' CA ', 192.149, 204.17, 211.716], ['A', ' C ', 191.412, 205.32, 212.441], ['A', ' O ', 191.984, 205.909, 213.355], ['A', ' CB ', 193.627, 204.224, 212.165], ['A', ' CG ', 194.467, 202.969, 211.864], ['A', ' CD ', 195.863, 203.008, 212.469], ['A', ' OE1', 196.213, 203.994, 213.074], ['A', ' OE2', 196.572, 202.041, 212.324], ['A', ' H ', 191.25, 203.409, 209.998], ['A', ' HA ', 191.745, 203.254, 212.146], ['A', '1HB ', 194.112, 205.085, 211.718], ['A', '2HB ', 193.663, 204.362, 213.243], ['A', '1HG ', 193.94, 202.102, 212.256], ['A', '2HG ', 194.55, 202.849, 210.791]]
[['A', ' N ', 190.152, 205.559, 212.091], ['A', ' CA ', 189.263, 206.564, 212.707], ['A', ' C ', 189.571, 208.017, 212.307], ['A', ' O ', 190.583, 208.589, 212.714], ['A', ' CB ', 189.248, 206.449, 214.244], ['A', ' CG ', 188.763, 205.095, 214.795], ['A', ' CD ', 187.313, 204.8, 214.523], ['A', ' OE1', 186.572, 205.716, 214.279], ['A', ' OE2', 186.946, 203.649, 214.565], ['A', ' H ', 189.772, 205.019, 211.328], ['A', ' HA ', 188.248, 206.349, 212.367], ['A', '1HB ', 190.21, 206.685, 214.674], ['A', '2HB ', 188.558, 207.2, 214.631], ['A', '1HG ', 189.367, 204.302, 214.357], ['A', '2HG ', 188.933, 205.083, 215.869]]
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[['A', ' N ', 136.199, 199.61, 179.467], ['A', ' CA ', 135.529, 199.491, 180.739], ['A', ' C ', 136.517, 199.209, 181.824], ['A', ' O ', 136.423, 199.782, 182.916], ['A', ' CB ', 134.489, 198.392, 180.731], ['A', ' CG ', 133.271, 198.708, 179.936], ['A', ' CD ', 132.165, 197.76, 180.198], ['A', ' NE ', 132.468, 196.39, 179.787], ['A', ' CZ ', 132.281, 195.886, 178.543], ['A', ' NH1', 131.84, 196.642, 177.565], ['A', ' NH2', 132.54, 194.618, 178.305], ['A', ' H ', 135.964, 198.982, 178.688], ['A', ' HA ', 135.032, 200.437, 180.957], ['A', '1HB ', 134.925, 197.49, 180.309], ['A', '2HB ', 134.186, 198.163, 181.751], ['A', '1HG ', 132.929, 199.707, 180.199], ['A', '2HG ', 133.518, 198.679, 178.881], ['A', '1HD ', 131.958, 197.748, 181.269], ['A', '2HD ', 131.272, 198.091, 179.675], ['A', ' HE ', 132.8, 195.756, 180.499], ['A', '1HH1', 131.635, 197.617, 177.724], ['A', '2HH1', 131.693, 196.237, 176.65], ['A', '1HH2', 132.871, 194.026, 179.05], ['A', '2HH2', 132.401, 194.237, 177.378]]
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[['A', ' N ', 138.767, 200.554, 193.767], ['A', ' CA ', 138.953, 200.636, 195.201], ['A', ' C ', 140.244, 199.962, 195.616], ['A', ' O ', 140.778, 200.229, 196.692], ['A', ' CB ', 137.786, 199.986, 195.904], ['A', ' OG ', 137.768, 198.608, 195.665], ['A', ' H ', 137.994, 200.014, 193.406], ['A', ' HA ', 138.99, 201.686, 195.479], ['A', '1HB ', 137.856, 200.171, 196.977], ['A', '2HB ', 136.858, 200.432, 195.554], ['A', ' HG ', 137.003, 198.267, 196.142]]
[['A', ' N ', 140.758, 199.076, 194.762], ['A', ' CA ', 141.998, 198.39, 195.055], ['A', ' C ', 143.143, 199.362, 195.044], ['A', ' O ', 144.087, 199.254, 195.831], ['A', ' CB ', 142.265, 197.304, 194.038], ['A', ' H ', 140.278, 198.9, 193.882], ['A', ' HA ', 141.92, 197.952, 196.051], ['A', '1HB ', 143.187, 196.806, 194.294], ['A', '2HB ', 141.449, 196.583, 194.042], ['A', '3HB ', 142.359, 197.738, 193.044]]
[['A', ' N ', 143.065, 200.328, 194.145], ['A', ' CA ', 144.125, 201.267, 194.008], ['A', ' C ', 143.869, 202.383, 194.959], ['A', ' O ', 144.796, 202.998, 195.471], ['A', ' CB ', 144.21, 201.705, 192.556], ['A', ' CG ', 144.596, 200.574, 191.564], ['A', ' CD1', 144.495, 201.069, 190.215], ['A', ' CD2', 146.016, 200.127, 191.77], ['A', ' H ', 142.245, 200.442, 193.552], ['A', ' HA ', 145.055, 200.8, 194.3], ['A', '1HB ', 143.222, 202.078, 192.262], ['A', '2HB ', 144.914, 202.514, 192.455], ['A', ' HG ', 143.917, 199.73, 191.689], ['A', '1HD1', 144.761, 200.278, 189.518], ['A', '2HD1', 143.486, 201.391, 190.033], ['A', '3HD1', 145.173, 201.899, 190.109], ['A', '1HD2', 146.228, 199.365, 191.034], ['A', '2HD2', 146.693, 200.956, 191.62], ['A', '3HD2', 146.162, 199.725, 192.764]]
[['A', ' N ', 142.611, 202.661, 195.245], ['A', ' CA ', 142.378, 203.704, 196.201], ['A', ' C ', 142.975, 203.28, 197.534], ['A', ' O ', 143.637, 204.078, 198.201], ['A', ' CB ', 140.903, 203.974, 196.339], ['A', ' H ', 141.843, 202.184, 194.769], ['A', ' HA ', 142.885, 204.606, 195.861], ['A', '1HB ', 140.748, 204.769, 197.057], ['A', '2HB ', 140.5, 204.268, 195.368], ['A', '3HB ', 140.411, 203.073, 196.681]]
[['A', ' N ', 142.819, 202.0, 197.895], ['A', ' CA ', 143.385, 201.544, 199.142], ['A', ' C ', 144.882, 201.514, 199.076], ['A', ' O ', 145.545, 201.956, 200.016], ['A', ' CB ', 142.876, 200.165, 199.535], ['A', ' CG ', 143.41, 199.693, 200.901], ['A', ' CD ', 142.826, 198.392, 201.366], ['A', ' OE1', 142.023, 197.839, 200.665], ['A', ' OE2', 143.175, 197.957, 202.434], ['A', ' H ', 142.246, 201.357, 197.335], ['A', ' HA ', 143.11, 202.244, 199.92], ['A', '1HB ', 141.788, 200.176, 199.572], ['A', '2HB ', 143.171, 199.438, 198.773], ['A', '1HG ', 144.49, 199.571, 200.83], ['A', '2HG ', 143.214, 200.467, 201.642]]
[['A', ' N ', 145.438, 201.007, 197.981], ['A', ' CA ', 146.868, 200.937, 197.906], ['A', ' C ', 147.445, 202.332, 198.014], ['A', ' O ', 148.434, 202.517, 198.709], ['A', ' CB ', 147.349, 200.204, 196.673], ['A', ' CG ', 148.825, 200.001, 196.704], ['A', ' CD1', 149.373, 199.008, 197.474], ['A', ' CD2', 149.623, 200.794, 195.992], ['A', ' CE1', 150.744, 198.848, 197.507], ['A', ' CE2', 150.973, 200.645, 196.013], ['A', ' CZ ', 151.543, 199.695, 196.758], ['A', ' OH ', 152.93, 199.571, 196.761], ['A', ' H ', 144.869, 200.615, 197.223], ['A', ' HA ', 147.223, 200.377, 198.769], ['A', '1HB ', 146.861, 199.23, 196.608], ['A', '2HB ', 147.087, 200.765, 195.786], ['A', ' HD1', 148.729, 198.349, 198.065], ['A', ' HD2', 149.19, 201.54, 195.405], ['A', ' HE1', 151.189, 198.064, 198.117], ['A', ' HE2', 151.607, 201.293, 195.417], ['A', ' HH ', 153.34, 200.199, 196.103]]
[['A', ' N ', 146.849, 203.31, 197.331], ['A', ' CA ', 147.329, 204.68, 197.365], ['A', ' C ', 147.306, 205.228, 198.772], ['A', ' O ', 148.263, 205.866, 199.22], ['A', ' CB ', 146.466, 205.569, 196.503], ['A', ' OG ', 146.909, 206.9, 196.549], ['A', ' H ', 146.043, 203.102, 196.749], ['A', ' HA ', 148.348, 204.698, 196.985], ['A', '1HB ', 146.485, 205.217, 195.491], ['A', '2HB ', 145.434, 205.513, 196.843], ['A', ' HG ', 146.438, 207.357, 195.85]]
[['A', ' N ', 146.238, 204.98, 199.518], ['A', ' CA ', 146.214, 205.488, 200.874], ['A', ' C ', 147.325, 204.881, 201.718], ['A', ' O ', 147.927, 205.573, 202.539], ['A', ' CB ', 144.883, 205.203, 201.529], ['A', ' CG ', 143.744, 206.025, 200.99], ['A', ' CD ', 142.542, 205.934, 201.84], ['A', ' NE ', 142.017, 204.564, 201.921], ['A', ' CZ ', 141.162, 203.991, 201.044], ['A', ' NH1', 140.744, 204.647, 199.987], ['A', ' NH2', 140.746, 202.75, 201.253], ['A', ' H ', 145.426, 204.496, 199.114], ['A', ' HA ', 146.359, 206.565, 200.837], ['A', '1HB ', 144.633, 204.15, 201.379], ['A', '2HB ', 144.958, 205.374, 202.6], ['A', '1HG ', 144.05, 207.07, 200.946], ['A', '2HG ', 143.489, 205.69, 199.998], ['A', '1HD ', 142.798, 206.255, 202.849], ['A', '2HD ', 141.762, 206.585, 201.451], ['A', ' HE ', 142.3, 204.009, 202.719], ['A', '1HH1', 141.061, 205.59, 199.815], ['A', '2HH1', 140.111, 204.205, 199.335], ['A', '1HH2', 141.067, 202.235, 202.064], ['A', '2HH2', 140.112, 202.311, 200.597]]
[['A', ' N ', 147.587, 203.586, 201.531], ['A', ' CA ', 148.64, 202.91, 202.274], ['A', ' C ', 150.017, 203.367, 201.84], ['A', ' O ', 150.928, 203.509, 202.659], ['A', ' CB ', 148.562, 201.409, 202.002], ['A', ' CG ', 147.365, 200.675, 202.561], ['A', ' CD1', 147.33, 199.281, 201.962], ['A', ' CD2', 147.461, 200.592, 204.073], ['A', ' H ', 146.993, 203.056, 200.883], ['A', ' HA ', 148.523, 203.133, 203.325], ['A', '1HB ', 148.563, 201.259, 200.927], ['A', '2HB ', 149.458, 200.947, 202.41], ['A', ' HG ', 146.448, 201.193, 202.278], ['A', '1HD1', 146.459, 198.743, 202.348], ['A', '2HD1', 147.253, 199.356, 200.882], ['A', '3HD1', 148.237, 198.743, 202.226], ['A', '1HD2', 146.596, 200.049, 204.454], ['A', '2HD2', 148.374, 200.064, 204.354], ['A', '3HD2', 147.472, 201.583, 204.509]]
[['A', ' N ', 150.161, 203.592, 200.552], ['A', ' CA ', 151.385, 203.995, 199.916], ['A', ' C ', 151.799, 205.398, 200.286], ['A', ' O ', 152.962, 205.674, 200.58], ['A', ' CB ', 151.169, 203.956, 198.411], ['A', ' CG ', 152.304, 204.335, 197.534], ['A', ' CD1', 153.448, 203.384, 197.737], ['A', ' CD2', 151.815, 204.359, 196.092], ['A', ' H ', 149.359, 203.415, 199.951], ['A', ' HA ', 152.159, 203.297, 200.226], ['A', '1HB ', 150.866, 202.947, 198.139], ['A', '2HB ', 150.35, 204.622, 198.182], ['A', ' HG ', 152.659, 205.329, 197.799], ['A', '1HD1', 154.273, 203.679, 197.093], ['A', '2HD1', 153.793, 203.403, 198.763], ['A', '3HD1', 153.136, 202.372, 197.479], ['A', '1HD2', 152.634, 204.654, 195.462], ['A', '2HD2', 151.469, 203.399, 195.799], ['A', '3HD2', 151.004, 205.068, 195.987]]
[['A', ' N ', 150.843, 206.305, 200.265], ['A', ' CA ', 151.101, 207.689, 200.557], ['A', ' C ', 151.975, 207.806, 201.792], ['A', ' O ', 151.81, 208.732, 202.591], ['A', ' CB ', 149.792, 208.428, 200.748], ['A', ' H ', 149.898, 206.032, 200.0], ['A', ' HA ', 151.641, 208.12, 199.715], ['A', '1HB ', 149.986, 209.478, 200.95], ['A', '2HB ', 149.188, 208.336, 199.842], ['A', '3HB ', 149.249, 207.984, 201.588]]
daq_score_w9.pdb
daq_score_atom_w9.pdb
Please open it in pymol and visualize it by putting the following command to Pymol:
----------------------------------------------------------------------------------------------------
spectrum b, red_white_blue, all, -1,1
----------------------------------------------------------------------------------------------------
gcc -std=c99 -o DAQscore_colab main.c chkcmdline.o mrc.o readpdb.o thread.o dp.o -lm -O3 -msse4.2 -msse -msse2 -msse3 -mmmx -ftree-vectorize -ftree-vectorizer-verbose=3 -ffast-math -march=native -funroll-loops -fopenmp
rank_001_alphafold2_ptm_model_2_seed_000_s1 existed
Origin: (0., 0., 0.)
Previous voxel size: 1.0
----------------------------------------------------------------------------------------------------
resizing finished!
----------------------------------------------------------------------------------------------------
Finished processing model input!
0 batch processing time 1.181224
1 batch processing time 1.167297
2 batch processing time 1.204866
3 batch processing time 1.219294
4 batch processing time 1.741646
5 batch processing time 1.204736
6 batch processing time 1.133823
7 batch processing time 1.219729
8 batch processing time 1.053921
9 batch processing time 1.199331
10 batch processing time 1.159408
11 batch processing time 1.155895
12 batch processing time 1.182581
13 batch processing time 1.194185
14 batch processing time 1.147625
15 batch processing time 1.127247
16 batch processing time 1.157960
17 batch processing time 1.112340
18 batch processing time 1.202277
19 batch processing time 1.188580
20 batch processing time 1.207662
21 batch processing time 1.229144
22 batch processing time 1.240076
23 batch processing time 1.150787
24 batch processing time 1.185385
25 batch processing time 1.181794
26 batch processing time 1.211226
27 batch processing time 1.186216
28 batch processing time 1.179733
29 batch processing time 1.185756
30 batch processing time 1.192718
31 batch processing time 1.158029
prediction.txt, please have a check!
exe_path
daq_raw_score.pdb
total different chains: {'A'}
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[['A', ' N ', 203.865, 220.354, 197.787], ['A', ' CA ', 202.912, 220.625, 198.867], ['A', ' C ', 203.491, 221.422, 200.03], ['A', ' O ', 204.662, 221.267, 200.382], ['A', ' CB ', 202.365, 219.313, 199.386], ['A', ' OG ', 201.654, 218.636, 198.386], ['A', ' H ', 203.506, 219.616, 197.199], ['A', ' HA ', 202.086, 221.199, 198.445], ['A', '1HB ', 203.187, 218.692, 199.739], ['A', '2HB ', 201.711, 219.505, 200.236], ['A', ' HG ', 201.33, 217.827, 198.794]]
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[['A', ' N ', 143.05, 200.349, 194.158], ['A', ' CA ', 144.105, 201.291, 194.026], ['A', ' C ', 143.847, 202.401, 194.984], ['A', ' O ', 144.774, 202.999, 195.515], ['A', ' CB ', 144.188, 201.727, 192.578], ['A', ' CG ', 144.576, 200.588, 191.586], ['A', ' CD1', 144.486, 201.081, 190.243], ['A', ' CD2', 145.989, 200.13, 191.796], ['A', ' H ', 142.229, 200.468, 193.567], ['A', ' HA ', 145.038, 200.824, 194.317], ['A', '1HB ', 143.198, 202.091, 192.282], ['A', '2HB ', 144.883, 202.538, 192.469], ['A', ' HG ', 143.892, 199.747, 191.706], ['A', '1HD1', 144.754, 200.288, 189.548], ['A', '2HD1', 143.482, 201.407, 190.055], ['A', '3HD1', 145.171, 201.906, 190.143], ['A', '1HD2', 146.197, 199.367, 191.06], ['A', '2HD2', 146.672, 200.952, 191.647], ['A', '3HD2', 146.13, 199.726, 192.788]]
[['A', ' N ', 142.588, 202.679, 195.269], ['A', ' CA ', 142.357, 203.712, 196.24], ['A', ' C ', 142.961, 203.274, 197.567], ['A', ' O ', 143.608, 204.072, 198.249], ['A', ' CB ', 140.883, 203.981, 196.391], ['A', ' H ', 141.82, 202.214, 194.784], ['A', ' HA ', 142.859, 204.621, 195.908], ['A', '1HB ', 140.737, 204.772, 197.12], ['A', '2HB ', 140.472, 204.288, 195.428], ['A', '3HB ', 140.389, 203.077, 196.729]]
[['A', ' N ', 142.815, 201.988, 197.915], ['A', ' CA ', 143.392, 201.526, 199.157], ['A', ' C ', 144.89, 201.506, 199.08], ['A', ' O ', 145.557, 201.936, 200.023], ['A', ' CB ', 142.891, 200.144, 199.548], ['A', ' CG ', 143.431, 199.666, 200.913], ['A', ' CD ', 142.848, 198.361, 201.364], ['A', ' OE1', 142.039, 197.819, 200.66], ['A', ' OE2', 143.204, 197.907, 202.423], ['A', ' H ', 142.251, 201.347, 197.347], ['A', ' HA ', 143.121, 202.22, 199.941], ['A', '1HB ', 141.801, 200.153, 199.589], ['A', '2HB ', 143.182, 199.42, 198.783], ['A', '1HG ', 144.51, 199.55, 200.845], ['A', '2HG ', 143.226, 200.432, 201.662]]
[['A', ' N ', 145.443, 201.018, 197.974], ['A', ' CA ', 146.875, 200.961, 197.895], ['A', ' C ', 147.434, 202.364, 198.029], ['A', ' O ', 148.429, 202.551, 198.72], ['A', ' CB ', 147.36, 200.271, 196.639], ['A', ' CG ', 148.834, 200.051, 196.678], ['A', ' CD1', 149.36, 198.972, 197.347], ['A', ' CD2', 149.651, 200.924, 196.088], ['A', ' CE1', 150.73, 198.807, 197.389], ['A', ' CE2', 150.996, 200.772, 196.118], ['A', ' CZ ', 151.55, 199.735, 196.758], ['A', ' OH ', 152.932, 199.604, 196.773], ['A', ' H ', 144.876, 200.63, 197.214], ['A', ' HA ', 147.242, 200.386, 198.741], ['A', '1HB ', 146.864, 199.305, 196.533], ['A', '2HB ', 147.114, 200.866, 195.769], ['A', ' HD1', 148.702, 198.254, 197.839], ['A', ' HD2', 149.231, 201.735, 195.596], ['A', ' HE1', 151.165, 197.955, 197.914], ['A', ' HE2', 151.639, 201.492, 195.624], ['A', ' HH ', 153.35, 200.27, 196.163]]
[['A', ' N ', 146.823, 203.346, 197.366], ['A', ' CA ', 147.275, 204.724, 197.417], ['A', ' C ', 147.254, 205.255, 198.835], ['A', ' O ', 148.198, 205.911, 199.285], ['A', ' CB ', 146.392, 205.601, 196.57], ['A', ' OG ', 146.805, 206.937, 196.63], ['A', ' H ', 146.017, 203.133, 196.784], ['A', ' HA ', 148.289, 204.769, 197.031], ['A', '1HB ', 146.417, 205.257, 195.549], ['A', '2HB ', 145.363, 205.519, 196.911], ['A', ' HG ', 146.239, 207.41, 196.012]]
[['A', ' N ', 146.195, 204.971, 199.582], ['A', ' CA ', 146.171, 205.451, 200.949], ['A', ' C ', 147.3, 204.841, 201.772], ['A', ' O ', 147.889, 205.524, 202.609], ['A', ' CB ', 144.848, 205.134, 201.601], ['A', ' CG ', 143.684, 205.961, 201.087], ['A', ' CD ', 142.482, 205.827, 201.936], ['A', ' NE ', 141.971, 204.447, 201.977], ['A', ' CZ ', 141.122, 203.893, 201.08], ['A', ' NH1', 140.705, 204.577, 200.039], ['A', ' NH2', 140.711, 202.645, 201.255], ['A', ' H ', 145.39, 204.482, 199.173], ['A', ' HA ', 146.3, 206.532, 200.934], ['A', '1HB ', 144.611, 204.084, 201.421], ['A', '2HB ', 144.93, 205.276, 202.675], ['A', '1HG ', 143.971, 207.013, 201.081], ['A', '2HG ', 143.432, 205.661, 200.083], ['A', '1HD ', 142.736, 206.12, 202.956], ['A', '2HD ', 141.698, 206.481, 201.567], ['A', ' HE ', 142.255, 203.872, 202.759], ['A', '1HH1', 141.018, 205.525, 199.895], ['A', '2HH1', 140.075, 204.15, 199.374], ['A', '1HH2', 141.032, 202.109, 202.054], ['A', '2HH2', 140.083, 202.22, 200.586]]
[['A', ' N ', 147.589, 203.557, 201.553], ['A', ' CA ', 148.664, 202.881, 202.266], ['A', ' C ', 150.028, 203.386, 201.835], ['A', ' O ', 150.945, 203.522, 202.644], ['A', ' CB ', 148.611, 201.382, 201.978], ['A', ' CG ', 147.432, 200.613, 202.529], ['A', ' CD1', 147.42, 199.226, 201.915], ['A', ' CD2', 147.539, 200.511, 204.038], ['A', ' H ', 147.003, 203.029, 200.893], ['A', ' HA ', 148.555, 203.081, 203.328], ['A', '1HB ', 148.608, 201.248, 200.9], ['A', '2HB ', 149.518, 200.928, 202.37], ['A', ' HG ', 146.504, 201.118, 202.258], ['A', '1HD1', 146.561, 198.667, 202.298], ['A', '2HD1', 147.336, 199.311, 200.836], ['A', '3HD1', 148.337, 198.7, 202.168], ['A', '1HD2', 146.687, 199.946, 204.416], ['A', '2HD2', 148.463, 199.997, 204.304], ['A', '3HD2', 147.533, 201.496, 204.487]]
[['A', ' N ', 150.147, 203.661, 200.549], ['A', ' CA ', 151.354, 204.13, 199.912], ['A', ' C ', 151.726, 205.527, 200.358], ['A', ' O ', 152.888, 205.828, 200.637], ['A', ' CB ', 151.108, 204.151, 198.408], ['A', ' CG ', 152.202, 204.625, 197.517], ['A', ' CD1', 153.402, 203.74, 197.656], ['A', ' CD2', 151.675, 204.658, 196.086], ['A', ' H ', 149.346, 203.475, 199.953], ['A', ' HA ', 152.154, 203.441, 200.169], ['A', '1HB ', 150.849, 203.141, 198.099], ['A', '2HB ', 150.257, 204.781, 198.227], ['A', ' HG ', 152.499, 205.625, 197.804], ['A', '1HD1', 154.192, 204.102, 196.999], ['A', '2HD1', 153.771, 203.751, 198.676], ['A', '3HD1', 153.144, 202.719, 197.375], ['A', '1HD2', 152.45, 205.021, 195.432], ['A', '2HD2', 151.376, 203.673, 195.773], ['A', '3HD2', 150.815, 205.325, 196.027]]
[['A', ' N ', 150.743, 206.4, 200.42], ['A', ' CA ', 150.973, 207.764, 200.82], ['A', ' C ', 151.734, 207.793, 202.133], ['A', ' O ', 151.636, 208.756, 202.899], ['A', ' CB ', 149.653, 208.497, 200.933], ['A', ' H ', 149.8, 206.114, 200.152], ['A', ' HA ', 151.583, 208.246, 200.067], ['A', '1HB ', 149.826, 209.534, 201.218], ['A', '2HB ', 149.14, 208.465, 199.968], ['A', '3HB ', 149.034, 208.004, 201.686]]
daq_score_w9.pdb
daq_score_atom_w9.pdb
Please open it in pymol and visualize it by putting the following command to Pymol:
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spectrum b, red_white_blue, all, -1,1
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INFO: STEP-4 Computer refined DAQ Done
INFO: leave DAQ dir, enter DAQ_refine
INFO: STEP-5 Compare and get the best score DAQ result started
rank_001_alphafold2_ptm_model_2_seed_000_s1
INFO: STEP-5 Compare and get the best score DAQ result Done
INFO: STEP-6 Visualize structure quality Started
Visualize structure quality finished.
INFO: STEP-6 Visualize structure quality Done
INFO: STEP-7 write job yml Started
INFO: STEP-7 write job yml Done
==================================================DAQ-Refine for Chain C Finished==================================================
Results stored in:
rank_001_alphafold2_ptm_model_2_seed_000_s1
==================================================DAQ-Refine for Chain C Finished==================================================