DAQ is a computational tool employing deep learning to estimate residue-wise local quality for
protein models derived from cryo-EM maps (target resolution: 0-5 A).
It generates a file in .pdb format documenting the scored structure, with scores stored in the
B-factor column
Our result webpage comprises three tabs: Results Visualization, Output Logs, and Job Configuration.
The 'Result Visualization' panel showcases the protein structure scored by DAQ-Score, with the
DAQ(AA) score stored in the b-factor column.
The 3D model is color-coded based on the DAQ(AA) score, ranging from red (-1.0) to blue (1.0).
Blue represents a good score, while red signifies a lower score from DAQ.
On the right-hand side, you'll find the 'Download Outputs' button to acquire the modeled structure
in .pdb format.
You can utilize 'spectrum b, red_white_blue, all, -1,1' in PyMol to visualize the score.
Additionally, you can visualize the map online by clicking the "Show map" button.
Once loaded, the default contour level matches your input; however, you can make adjustments by
clicking the "..." button beside "isosurface."
Within the "Type: Isosurface" option, you can modify the iso-surface value and opacity by scrolling
through the bar for precise adjustments.
This feature allows you to assess the alignment between the modeled structure and the map.
Output Logs:
The 'Output Logs' panel compiles all outputs generated by the scripts.
If you're interested in monitoring the job's progress during execution, this section provides a
comprehensive overview.
Job Configuration:
In the 'Job Configuration' panel, you'll find the input parameters used for this specific job.
These records serve to maintain a log of your submitted input for reference.
Problem Debugging:
For any troubleshooting needs: Should you encounter any issues, please don't hesitate to contact
us via
email to report the problems.
When sending an email, kindly use the subject line format 'DAQ-score problem: [jobid]', where
[jobid]
corresponds to the job displayed in the title.
This specific identification helps us efficiently locate and debug jobs in the backend, ensuring
a prompt response to your concerns.
Contact:
dkihara@purdue.edu, gterashi@purdue.edu, xiaowang20140001@gmail.com.
DAQ-Score
Job ID : e733a936990c11b60e0d3d25b015f845
DAQ is a computational tool using deep learning that can estimate the residue-wise local quality for protein models from cryo-Electron Microscopy (EM) maps.
The 3D model is colored by DAQ(AA) score scaled from red (-1.0) to blue (1.0) with a 19 residues sliding window. Here blue indicates good score, while red indicates bad score from DAQ.
If you encounter any questions for the scored structure, feel free to email dkihara@purdue.edu, gterashi@purdue.edu and wang3702@purdue.edu.
DAQ Started
gcc -O3 -c chkcmdline.c
gcc -O3 -c mrc.c -lm -O3 -msse4.2 -msse -msse2 -msse3 -mmmx -ftree-vectorize -ftree-vectorizer-verbose=3 -ffast-math -march=native -funroll-loops -fopenmp
gcc -O3 -c readpdb.c -lm -O3 -msse4.2 -msse -msse2 -msse3 -mmmx -ftree-vectorize -ftree-vectorizer-verbose=3 -ffast-math -march=native -funroll-loops -fopenmp
gcc -o TrimMapAtom main.c chkcmdline.o mrc.o readpdb.o -lm -O3 -msse4.2 -msse -msse2 -msse3 -mmmx -ftree-vectorize -ftree-vectorizer-verbose=3 -ffast-math -march=native -funroll-loops -fopenmp
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
/bio/kihara-web/www/em/em-web-server/media/jobs/output/e733a936990c11b60e0d3d25b015f845/ existed
Origin: (356.44003, 155.44, 159.46)
Previous voxel size: 1.340000033378601
Previouse size: (35, 52, 47) Current map size: 46 69 62
Finished resizing 10/46
Finished resizing 20/46
Finished resizing 30/46
Finished resizing 40/46
nx : 35
ny : 52
nz : 47
mode : 2
nxstart : 0
nystart : 0
nzstart : 0
mx : 35
my : 52
mz : 47
cella : (46.9, 69.68, 62.980003)
cellb : (90., 90., 90.)
mapc : 1
mapr : 2
maps : 3
dmin : -0.3863585889339447
dmax : 0.8640021085739136
dmean : 0.014420190826058388
ispg : 0
nsymbt : 0
extra1 : b'\x00\x00\x00\x00\x00\x00\x00\x00'
exttyp : b''
nversion : 0
extra2 : b'\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00'
origin : (356.44003, 155.44, 159.46)
map : b'MAP '
machst : [68 65 0 0]
rms : 0.0
nlabl : 1
label : [b'Chimera 1.15_b42258 Mon Jun 21 23:12:34 2021' b'' b'' b'' b'' b'' b''
b'' b'' b'']
nx : 46
ny : 69
nz : 62
mode : 2
nxstart : 0
nystart : 0
nzstart : 0
mx : 46
my : 69
mz : 62
cella : (46., 69., 62.)
cellb : (90., 90., 90.)
mapc : 1
mapr : 2
maps : 3
dmin : -0.2989257276058197
dmax : 0.7048949599266052
dmean : 0.015050053596496582
ispg : 1
nsymbt : 0
extra1 : b'\x00\x00\x00\x00\x00\x00\x00\x00'
exttyp : b''
nversion : 20141
extra2 : b'\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00'
origin : (356.44003, 155.44, 159.46)
map : b'MAP '
machst : [68 68 0 0]
rms : 0.06224863976240158
nlabl : 1
label : [b'Created by mrcfile.py 2023-06-09 17:19:54 '
b'' b'' b'' b'' b'' b'' b'' b'' b'']
----------------------------------------------------------------------------------------------------
resizing finished!
----------------------------------------------------------------------------------------------------
Finished processing model input!
0 batch processing time 0.419217
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Our predictions are saved in /bio/kihara-web/www/em/em-web-server/media/jobs/output/e733a936990c11b60e0d3d25b015f845/prediction.txt, please have a check!
total different chains: {'9'}
[['9', ' N ', 374.004, 218.32, 164.211], ['9', ' CA ', 375.211, 218.122, 165.067], ['9', ' C ', 374.941, 217.091, 166.163], ['9', ' O ', 375.161, 217.356, 167.346], ['9', ' CB ', 375.668, 219.449, 165.709], ['9', ' H ', 373.944, 219.241, 163.944], ['9', ' HA ', 375.945, 217.787, 164.511], ['9', ' HB ', 374.804, 219.77, 166.206]]
[['9', ' N ', 374.479, 215.909, 165.756], ['9', ' CA ', 374.127, 214.846, 166.7], ['9', ' C ', 375.413, 214.28, 167.306], ['9', ' O ', 376.0, 213.328, 166.788], ['9', ' CB ', 373.281, 213.727, 166.037], ['9', ' CG1', 371.976, 214.303, 165.457], ['9', ' CG2', 372.957, 212.622, 167.04], ['9', ' CD1', 372.025, 214.641, 163.98], ['9', ' H ', 374.37, 215.657, 164.786], ['9', ' HA ', 373.59, 215.228, 167.425], ['9', ' HB ', 373.799, 213.339, 165.314], ['9', 'HG12', 371.26, 213.66, 165.578], ['9', 'HG13', 371.758, 215.119, 165.933], ['9', 'HG21', 373.742, 212.097, 167.203], ['9', 'HG22', 372.268, 212.059, 166.679], ['9', 'HG23', 372.655, 213.024, 167.858], ['9', 'HD11', 372.354, 215.536, 163.871], ['9', 'HD12', 371.136, 214.578, 163.621], ['9', 'HD13', 372.602, 214.02, 163.529]]
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[['9', ' N ', 382.096, 210.325, 173.282], ['9', ' CA ', 382.772, 209.03, 173.465], ['9', ' C ', 383.946, 209.064, 174.454], ['9', ' O ', 384.602, 208.043, 174.668], ['9', ' CB ', 383.286, 208.519, 172.114], ['9', ' CG ', 382.245, 208.515, 171.004], ['9', ' CD ', 382.808, 207.954, 169.708], ['9', ' CE ', 381.775, 207.997, 168.591], ['9', ' NZ ', 382.268, 207.348, 167.346], ['9', ' H ', 382.697, 211.037, 172.891], ['9', ' HA ', 382.131, 208.369, 173.799], ['9', ' HB2', 384.019, 209.086, 171.826], ['9', ' HB3', 383.6, 207.608, 172.224], ['9', ' HG2', 381.493, 207.964, 171.273], ['9', ' HG3', 381.951, 209.423, 170.833], ['9', ' HD2', 383.573, 208.484, 169.435], ['9', ' HD3', 383.07, 207.03, 169.845], ['9', ' HE2', 380.976, 207.529, 168.879], ['9', ' HE3', 381.565, 208.922, 168.387], ['9', ' HZ1', 383.062, 207.791, 167.037], ['9', ' HZ2', 381.597, 207.399, 166.662], ['9', ' HZ3', 382.472, 206.425, 167.515]]
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[['9', ' N ', 381.518, 213.533, 180.893], ['9', ' CA ', 381.096, 214.932, 180.973], ['9', ' C ', 380.014, 215.176, 182.032], ['9', ' O ', 379.875, 216.3, 182.516], ['9', ' CB ', 380.591, 215.445, 179.607], ['9', ' CG1', 381.628, 215.176, 178.508], ['9', ' CG2', 380.268, 216.933, 179.672], ['9', ' CD1', 382.928, 215.946, 178.649], ['9', ' H ', 380.796, 212.904, 180.576], ['9', ' HA ', 381.861, 215.488, 181.227], ['9', ' HB ', 379.778, 214.965, 179.384], ['9', 'HG12', 381.846, 214.233, 178.511], ['9', 'HG13', 381.242, 215.415, 177.652], ['9', 'HG21', 379.361, 217.045, 179.968], ['9', 'HG22', 380.372, 217.316, 178.798], ['9', 'HG23', 380.869, 217.363, 180.285], ['9', 'HD11', 382.75, 216.887, 178.583], ['9', 'HD12', 383.52, 215.679, 177.942], ['9', 'HD13', 383.329, 215.747, 179.497]]
[['9', ' N ', 379.255, 214.138, 182.386], ['9', ' CA ', 378.192, 214.238, 183.393], ['9', ' C ', 376.993, 215.018, 182.856], ['9', ' O ', 376.641, 216.084, 183.365], ['9', ' CB ', 378.716, 214.857, 184.699], ['9', ' CG ', 377.813, 214.573, 185.884], ['9', ' ND2', 377.104, 215.595, 186.354], ['9', ' OD1', 377.758, 213.447, 186.375], ['9', ' H ', 379.331, 213.21, 182.0], ['9', ' HA ', 377.882, 213.333, 183.601], ['9', ' HB2', 379.586, 214.475, 184.896], ['9', ' HB3', 378.796, 215.818, 184.605], ['9', 'HD21', 376.664, 215.522, 187.227], ['9', 'HD22', 377.016, 216.421, 185.832]]
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[['9', ' N ', 394.359, 178.814, 208.727], ['9', ' CA ', 395.738, 179.299, 208.676], ['9', ' C ', 395.816, 180.75, 209.155], ['9', ' O ', 396.682, 181.094, 209.97], ['9', ' CB ', 396.309, 179.165, 207.27], ['9', ' H ', 394.015, 178.487, 207.835], ['9', ' HA ', 396.288, 178.754, 209.277], ['9', ' HB1', 396.158, 178.271, 206.953], ['9', ' HB2', 397.252, 179.345, 207.301], ['9', ' HB3', 395.877, 179.796, 206.692]]
[['9', ' N ', 394.93, 181.603, 208.643], ['9', ' CA ', 394.915, 183.021, 209.012], ['9', ' C ', 394.212, 183.231, 210.349], ['9', ' O ', 394.761, 182.92, 211.406], ['9', ' CB ', 394.225, 183.851, 207.927], ['9', ' H ', 394.217, 181.347, 207.974], ['9', ' HA ', 395.835, 183.348, 209.097], ['9', ' HB2', 394.676, 183.703, 207.081], ['9', ' HB3', 393.308, 183.518, 207.751]]
Please check result here: /bio/kihara-web/www/em/em-web-server/media/jobs/output/e733a936990c11b60e0d3d25b015f845/daq_score_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 : DAQ Done
gcc -O3 -c chkcmdline.c
gcc -O3 -c mrc.c -lm -O3 -msse4.2 -msse -msse2 -msse3 -mmmx -ftree-vectorize -ftree-vectorizer-verbose=3 -ffast-math -march=native -funroll-loops -fopenmp
gcc -O3 -c readpdb.c -lm -O3 -msse4.2 -msse -msse2 -msse3 -mmmx -ftree-vectorize -ftree-vectorizer-verbose=3 -ffast-math -march=native -funroll-loops -fopenmp
gcc -o TrimMapAtom main.c chkcmdline.o mrc.o readpdb.o -lm -O3 -msse4.2 -msse -msse2 -msse3 -mmmx -ftree-vectorize -ftree-vectorizer-verbose=3 -ffast-math -march=native -funroll-loops -fopenmp
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
/bio/kihara-web/www/em/em-web-server/media/jobs/output/e733a936990c11b60e0d3d25b015f845/ existed
Origin: (356.44003, 155.44, 159.46)
Previous voxel size: 1.340000033378601
Previouse size: (35, 52, 47) Current map size: 46 69 62
Finished resizing 10/46
Finished resizing 20/46
Finished resizing 30/46
Finished resizing 40/46
nx : 35
ny : 52
nz : 47
mode : 2
nxstart : 0
nystart : 0
nzstart : 0
mx : 35
my : 52
mz : 47
cella : (46.9, 69.68, 62.980003)
cellb : (90., 90., 90.)
mapc : 1
mapr : 2
maps : 3
dmin : -0.3863585889339447
dmax : 0.8640021085739136
dmean : 0.014420190826058388
ispg : 0
nsymbt : 0
extra1 : b'\x00\x00\x00\x00\x00\x00\x00\x00'
exttyp : b''
nversion : 0
extra2 : b'\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00'
origin : (356.44003, 155.44, 159.46)
map : b'MAP '
machst : [68 65 0 0]
rms : 0.0
nlabl : 1
label : [b'Chimera 1.15_b42258 Mon Jun 21 23:12:34 2021' b'' b'' b'' b'' b'' b''
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nx : 46
ny : 69
nz : 62
mode : 2
nxstart : 0
nystart : 0
nzstart : 0
mx : 46
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mz : 62
cella : (46., 69., 62.)
cellb : (90., 90., 90.)
mapc : 1
mapr : 2
maps : 3
dmin : -0.2989257276058197
dmax : 0.7048949599266052
dmean : 0.015050053596496582
ispg : 1
nsymbt : 0
extra1 : b'\x00\x00\x00\x00\x00\x00\x00\x00'
exttyp : b''
nversion : 20141
extra2 : b'\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00'
origin : (356.44003, 155.44, 159.46)
map : b'MAP '
machst : [68 68 0 0]
rms : 0.06224863976240158
nlabl : 1
label : [b'Created by mrcfile.py 2023-06-09 17:19:54 '
b'' b'' b'' b'' b'' b'' b'' b'' b'']
----------------------------------------------------------------------------------------------------
resizing finished!
----------------------------------------------------------------------------------------------------
Finished processing model input!
0 batch processing time 0.419217
1 batch processing time 0.097279
2 batch processing time 0.096354
3 batch processing time 0.097274
4 batch processing time 0.098687
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61 batch processing time 0.100467
62 batch processing time 0.097529
63 batch processing time 0.097224
64 batch processing time 0.097212
65 batch processing time 0.096816
66 batch processing time 0.097816
67 batch processing time 0.096978
68 batch processing time 0.101355
69 batch processing time 0.097452
70 batch processing time 0.096427
71 batch processing time 0.096653
72 batch processing time 0.098415
73 batch processing time 0.099138
74 batch processing time 0.099510
75 batch processing time 0.096462
76 batch processing time 0.097780
77 batch processing time 0.097589
78 batch processing time 0.096791
79 batch processing time 0.097563
80 batch processing time 0.097394
81 batch processing time 0.096979
82 batch processing time 0.097429
83 batch processing time 0.096722
84 batch processing time 0.097236
85 batch processing time 0.096783
86 batch processing time 0.096062
87 batch processing time 0.096842
88 batch processing time 0.096476
89 batch processing time 0.096247
90 batch processing time 0.096674
91 batch processing time 0.095711
92 batch processing time 0.096323
93 batch processing time 0.096942
94 batch processing time 0.097135
95 batch processing time 0.097215
96 batch processing time 0.096711
97 batch processing time 0.095806
98 batch processing time 0.136532
99 batch processing time 0.142183
100 batch processing time 0.140330
101 batch processing time 0.138852
102 batch processing time 0.143879
103 batch processing time 0.112130
104 batch processing time 0.096463
105 batch processing time 0.095564
106 batch processing time 0.096072
107 batch processing time 0.095953
108 batch processing time 0.095993
109 batch processing time 0.096177
110 batch processing time 0.096902
111 batch processing time 0.097374
112 batch processing time 0.096438
113 batch processing time 0.098727
114 batch processing time 0.096600
115 batch processing time 0.095371
116 batch processing time 0.096196
117 batch processing time 0.095437
Our predictions are saved in /bio/kihara-web/www/em/em-web-server/media/jobs/output/e733a936990c11b60e0d3d25b015f845/prediction.txt, please have a check!
total different chains: {'9'}
[['9', ' N ', 374.004, 218.32, 164.211], ['9', ' CA ', 375.211, 218.122, 165.067], ['9', ' C ', 374.941, 217.091, 166.163], ['9', ' O ', 375.161, 217.356, 167.346], ['9', ' CB ', 375.668, 219.449, 165.709], ['9', ' H ', 373.944, 219.241, 163.944], ['9', ' HA ', 375.945, 217.787, 164.511], ['9', ' HB ', 374.804, 219.77, 166.206]]
[['9', ' N ', 374.479, 215.909, 165.756], ['9', ' CA ', 374.127, 214.846, 166.7], ['9', ' C ', 375.413, 214.28, 167.306], ['9', ' O ', 376.0, 213.328, 166.788], ['9', ' CB ', 373.281, 213.727, 166.037], ['9', ' CG1', 371.976, 214.303, 165.457], ['9', ' CG2', 372.957, 212.622, 167.04], ['9', ' CD1', 372.025, 214.641, 163.98], ['9', ' H ', 374.37, 215.657, 164.786], ['9', ' HA ', 373.59, 215.228, 167.425], ['9', ' HB ', 373.799, 213.339, 165.314], ['9', 'HG12', 371.26, 213.66, 165.578], ['9', 'HG13', 371.758, 215.119, 165.933], ['9', 'HG21', 373.742, 212.097, 167.203], ['9', 'HG22', 372.268, 212.059, 166.679], ['9', 'HG23', 372.655, 213.024, 167.858], ['9', 'HD11', 372.354, 215.536, 163.871], ['9', 'HD12', 371.136, 214.578, 163.621], ['9', 'HD13', 372.602, 214.02, 163.529]]
[['9', ' N ', 375.842, 214.895, 168.406], ['9', ' CA ', 377.109, 214.57, 169.056], ['9', ' C ', 376.902, 213.535, 170.161], ['9', ' O ', 376.269, 213.827, 171.175], ['9', ' CB ', 377.733, 215.85, 169.625], ['9', ' CG ', 378.954, 215.628, 170.491], ['9', ' CD1', 380.066, 214.948, 170.002], ['9', ' CD2', 379.003, 216.113, 171.796], ['9', ' CE1', 381.188, 214.746, 170.792], ['9', ' CE2', 380.119, 215.916, 172.593], ['9', ' CZ ', 381.209, 215.234, 172.087], ['9', ' OH ', 382.319, 215.04, 172.878], ['9', ' H ', 375.325, 215.626, 168.873], ['9', ' HA ', 377.735, 214.204, 168.397], ['9', ' HB2', 377.998, 216.419, 168.886], ['9', ' HB3', 377.068, 216.306, 170.164], ['9', ' HD1', 380.054, 214.618, 169.133], ['9', ' HD2', 378.273, 216.572, 172.143], ['9', ' HE1', 381.922, 214.287, 170.452], ['9', ' HE2', 380.136, 216.243, 173.463], ['9', ' HH ', 382.926, 215.379, 172.499]]
[['9', ' N ', 377.443, 212.333, 169.961], ['9', ' CA ', 377.281, 211.233, 170.917], ['9', ' C ', 378.581, 210.943, 171.676], ['9', ' O ', 379.13, 209.842, 171.596], ['9', ' CB ', 376.781, 209.972, 170.202], ['9', ' CG ', 375.513, 210.094, 169.346], ['9', ' CD1', 375.041, 208.71, 168.916], ['9', ' CD2', 374.4, 210.835, 170.075], ['9', ' H ', 377.995, 212.085, 169.153], ['9', ' HA ', 376.608, 211.474, 171.587], ['9', ' HB2', 377.485, 209.656, 169.614], ['9', ' HB3', 376.602, 209.3, 170.877], ['9', ' HG ', 375.725, 210.596, 168.543], ['9', 'HD11', 375.749, 208.273, 168.438], ['9', 'HD12', 374.272, 208.804, 168.349], ['9', 'HD13', 374.811, 208.203, 169.698], ['9', 'HD21', 374.363, 210.525, 170.983], ['9', 'HD22', 373.564, 210.661, 169.635], ['9', 'HD23', 374.587, 211.776, 170.058]]
[['9', ' N ', 379.04, 211.954, 172.413], ['9', ' CA ', 380.233, 211.908, 173.279], ['9', ' C ', 380.815, 210.521, 173.598], ['9', ' O ', 380.126, 209.667, 174.151], ['9', ' CB ', 379.903, 212.628, 174.59], ['9', ' CG ', 380.916, 212.418, 175.669], ['9', ' CD2', 382.112, 213.009, 175.897], ['9', ' ND1', 380.744, 211.497, 176.68], ['9', ' CE1', 381.791, 211.529, 177.484], ['9', ' NE2', 382.638, 212.436, 177.03], ['9', ' H ', 378.589, 212.858, 172.433], ['9', ' HA ', 380.938, 212.426, 172.839], ['9', ' HB2', 379.848, 213.581, 174.417], ['9', ' HB3', 379.049, 212.304, 174.918], ['9', ' HD1', 380.061, 210.983, 176.773], ['9', ' HD2', 382.506, 213.675, 175.381], ['9', ' HE1', 381.913, 211.002, 178.24], ['9', ' HE2', 383.393, 212.639, 177.388]]
[['9', ' N ', 382.096, 210.325, 173.282], ['9', ' CA ', 382.772, 209.03, 173.465], ['9', ' C ', 383.946, 209.064, 174.454], ['9', ' O ', 384.602, 208.043, 174.668], ['9', ' CB ', 383.286, 208.519, 172.114], ['9', ' CG ', 382.245, 208.515, 171.004], ['9', ' CD ', 382.808, 207.954, 169.708], ['9', ' CE ', 381.775, 207.997, 168.591], ['9', ' NZ ', 382.268, 207.348, 167.346], ['9', ' H ', 382.697, 211.037, 172.891], ['9', ' HA ', 382.131, 208.369, 173.799], ['9', ' HB2', 384.019, 209.086, 171.826], ['9', ' HB3', 383.6, 207.608, 172.224], ['9', ' HG2', 381.493, 207.964, 171.273], ['9', ' HG3', 381.951, 209.423, 170.833], ['9', ' HD2', 383.573, 208.484, 169.435], ['9', ' HD3', 383.07, 207.03, 169.845], ['9', ' HE2', 380.976, 207.529, 168.879], ['9', ' HE3', 381.565, 208.922, 168.387], ['9', ' HZ1', 383.062, 207.791, 167.037], ['9', ' HZ2', 381.597, 207.399, 166.662], ['9', ' HZ3', 382.472, 206.425, 167.515]]
[['9', ' N ', 384.207, 210.224, 175.055], ['9', ' CA ', 385.39, 210.426, 175.896], ['9', ' C ', 385.311, 209.816, 177.29], ['9', ' O ', 384.611, 208.823, 177.493], ['9', ' H ', 383.63, 211.046, 174.984], ['9', ' HA2', 386.165, 210.051, 175.45], ['9', ' HA3', 385.528, 211.38, 175.982]]
[['9', ' N ', 386.042, 210.404, 178.261], ['9', ' CA ', 386.055, 209.876, 179.634], ['9', ' C ', 384.728, 210.074, 180.381], ['9', ' O ', 384.082, 209.086, 180.726], ['9', ' CB ', 387.211, 210.629, 180.311], ['9', ' CG ', 387.478, 211.823, 179.466], ['9', ' CD ', 386.945, 211.559, 178.09], ['9', ' HA ', 386.269, 208.919, 179.619], ['9', ' HB2', 386.953, 210.897, 181.207], ['9', ' HB3', 387.993, 210.056, 180.342], ['9', ' HG2', 387.041, 212.596, 179.853], ['9', ' HG3', 388.436, 211.971, 179.426], ['9', ' HD2', 386.451, 212.332, 177.777], ['9', ' HD3', 387.669, 211.333, 177.486]]
[['9', ' N ', 384.337, 211.325, 180.631], ['9', ' CA ', 383.014, 211.644, 181.192], ['9', ' C ', 382.759, 213.149, 181.185], ['9', ' O ', 383.669, 213.938, 181.443], ['9', ' CB ', 382.857, 211.127, 182.63], ['9', ' CG ', 381.437, 211.27, 183.165], ['9', ' CD ', 381.302, 210.87, 184.624], ['9', ' NE ', 379.965, 211.189, 185.124], ['9', ' CZ ', 378.871, 210.454, 184.916], ['9', ' NH1', 377.708, 210.854, 185.417], ['9', ' NH2', 378.924, 209.324, 184.215], ['9', ' H ', 384.903, 212.142, 180.457], ['9', ' HA ', 382.328, 211.216, 180.64], ['9', ' HB2', 383.087, 210.187, 182.669], ['9', ' HB3', 383.446, 211.632, 183.212], ['9', ' HG2', 381.156, 212.194, 183.099], ['9', ' HG3', 380.846, 210.705, 182.643], ['9', ' HD2', 381.463, 209.919, 184.723], ['9', ' HD3', 381.946, 211.371, 185.149], ['9', ' HE ', 379.872, 211.999, 185.651], ['9', 'HH11', 377.66, 211.581, 185.874], ['9', 'HH12', 376.998, 210.384, 185.29], ['9', 'HH21', 379.663, 209.046, 183.878], ['9', 'HH22', 378.207, 208.864, 184.092]]
[['9', ' N ', 381.518, 213.533, 180.893], ['9', ' CA ', 381.096, 214.932, 180.973], ['9', ' C ', 380.014, 215.176, 182.032], ['9', ' O ', 379.875, 216.3, 182.516], ['9', ' CB ', 380.591, 215.445, 179.607], ['9', ' CG1', 381.628, 215.176, 178.508], ['9', ' CG2', 380.268, 216.933, 179.672], ['9', ' CD1', 382.928, 215.946, 178.649], ['9', ' H ', 380.796, 212.904, 180.576], ['9', ' HA ', 381.861, 215.488, 181.227], ['9', ' HB ', 379.778, 214.965, 179.384], ['9', 'HG12', 381.846, 214.233, 178.511], ['9', 'HG13', 381.242, 215.415, 177.652], ['9', 'HG21', 379.361, 217.045, 179.968], ['9', 'HG22', 380.372, 217.316, 178.798], ['9', 'HG23', 380.869, 217.363, 180.285], ['9', 'HD11', 382.75, 216.887, 178.583], ['9', 'HD12', 383.52, 215.679, 177.942], ['9', 'HD13', 383.329, 215.747, 179.497]]
[['9', ' N ', 379.255, 214.138, 182.386], ['9', ' CA ', 378.192, 214.238, 183.393], ['9', ' C ', 376.993, 215.018, 182.856], ['9', ' O ', 376.641, 216.084, 183.365], ['9', ' CB ', 378.716, 214.857, 184.699], ['9', ' CG ', 377.813, 214.573, 185.884], ['9', ' ND2', 377.104, 215.595, 186.354], ['9', ' OD1', 377.758, 213.447, 186.375], ['9', ' H ', 379.331, 213.21, 182.0], ['9', ' HA ', 377.882, 213.333, 183.601], ['9', ' HB2', 379.586, 214.475, 184.896], ['9', ' HB3', 378.796, 215.818, 184.605], ['9', 'HD21', 376.664, 215.522, 187.227], ['9', 'HD22', 377.016, 216.421, 185.832]]
[['9', ' N ', 376.372, 214.469, 181.816], ['9', ' CA ', 375.218, 215.1, 181.19], ['9', ' C ', 374.846, 214.485, 179.855], ['9', ' O ', 373.706, 214.059, 179.662], ['9', ' H ', 376.646, 213.593, 181.393], ['9', ' HA2', 374.453, 215.028, 181.783], ['9', ' HA3', 375.403, 216.041, 181.044]]
[['9', ' N ', 375.809, 214.434, 178.936], ['9', ' CA ', 375.545, 213.974, 177.57], ['9', ' C ', 375.331, 212.475, 177.512], ['9', ' O ', 375.888, 211.728, 178.322], ['9', ' CB ', 376.702, 214.314, 176.62], ['9', ' CG ', 377.118, 215.766, 176.357], ['9', ' CD1', 375.954, 216.722, 176.554], ['9', ' CD2', 378.295, 216.168, 177.232], ['9', ' H ', 376.769, 214.687, 179.111], ['9', ' HA ', 374.731, 214.406, 177.237], ['9', ' HB2', 377.487, 213.849, 176.95], ['9', ' HB3', 376.474, 213.946, 175.752], ['9', ' HG ', 377.404, 215.841, 175.433], ['9', 'HD11', 375.179, 216.362, 176.124], ['9', 'HD12', 376.178, 217.574, 176.173], ['9', 'HD13', 375.786, 216.814, 177.494], ['9', 'HD21', 377.997, 216.26, 178.138], ['9', 'HD22', 378.644, 217.004, 176.916], ['9', 'HD23', 378.975, 215.493, 177.176]]
[['9', ' N ', 374.531, 212.041, 176.54], ['9', ' CA ', 374.412, 210.623, 176.244], ['9', ' C ', 375.601, 210.235, 175.384], ['9', ' O ', 376.038, 211.005, 174.526], ['9', ' CB ', 373.076, 210.285, 175.563], ['9', ' CG ', 373.043, 210.303, 174.04], ['9', ' CD ', 371.889, 209.449, 173.538], ['9', ' NE ', 371.779, 209.458, 172.082], ['9', ' CZ ', 371.034, 208.611, 171.374], ['9', ' NH1', 370.314, 207.665, 171.972], ['9', ' NH2', 371.007, 208.709, 170.05], ['9', ' H ', 373.97, 212.639, 175.95], ['9', ' HA ', 374.452, 210.11, 177.079], ['9', ' HB2', 372.815, 209.396, 175.846], ['9', ' HB3', 372.412, 210.923, 175.865], ['9', ' HG2', 372.913, 211.212, 173.728], ['9', ' HG3', 373.857, 209.93, 173.674], ['9', ' HD2', 372.038, 208.535, 173.825], ['9', ' HD3', 371.058, 209.785, 173.908], ['9', ' HE ', 372.089, 210.258, 171.63], ['9', 'HH11', 370.315, 207.584, 172.827], ['9', 'HH12', 369.838, 207.127, 171.5], ['9', 'HH21', 371.468, 209.316, 169.651], ['9', 'HH22', 370.528, 208.166, 169.586]]
[['9', ' N ', 376.133, 209.046, 175.635], ['9', ' CA ', 377.281, 208.555, 174.894], ['9', ' C ', 376.85, 207.916, 173.583], ['9', ' O ', 375.66, 207.704, 173.341], ['9', ' CB ', 378.052, 207.526, 175.724], ['9', ' CG ', 378.859, 208.109, 176.87], ['9', ' CD ', 379.525, 206.999, 177.668], ['9', ' NE ', 380.672, 207.466, 178.444], ['9', ' CZ ', 380.597, 208.185, 179.564], ['9', ' NH1', 379.423, 208.56, 180.067], ['9', ' NH2', 381.713, 208.544, 180.184], ['9', ' H ', 375.786, 208.407, 176.337], ['9', ' HA ', 377.881, 209.3, 174.694], ['9', ' HB2', 377.424, 206.889, 176.1], ['9', ' HB3', 378.675, 207.06, 175.145], ['9', ' HG2', 379.551, 208.689, 176.518], ['9', ' HG3', 378.269, 208.604, 177.458], ['9', ' HD2', 378.879, 206.609, 178.277], ['9', ' HD3', 379.846, 206.32, 177.054], ['9', ' HE ', 381.553, 207.274, 178.088], ['9', 'HH11', 378.687, 208.339, 179.686], ['9', 'HH12', 379.398, 209.026, 180.789], ['9', 'HH21', 382.478, 208.311, 179.868], ['9', 'HH22', 381.675, 209.012, 180.905]]
[['9', ' N ', 377.832, 207.629, 172.732], ['9', ' CA ', 377.634, 206.711, 171.618], ['9', ' C ', 377.302, 205.341, 172.216], ['9', ' O ', 378.03, 204.867, 173.091], ['9', ' CB ', 378.906, 206.619, 170.77], ['9', ' CG ', 378.819, 205.552, 169.691], ['9', ' OD1', 377.976, 205.693, 168.78], ['9', ' OD2', 379.6, 204.578, 169.749], ['9', ' H ', 378.762, 208.018, 172.792], ['9', ' HA ', 376.899, 207.027, 171.057], ['9', ' HB2', 379.058, 207.472, 170.334], ['9', ' HB3', 379.656, 206.402, 171.346]]
[['9', ' N ', 376.2, 204.706, 171.767], ['9', ' CA ', 375.849, 203.403, 172.347], ['9', ' C ', 376.975, 202.369, 172.25], ['9', ' O ', 377.175, 201.598, 173.186], ['9', ' CB ', 374.621, 202.959, 171.534], ['9', ' CG ', 374.576, 203.85, 170.338], ['9', ' CD ', 375.223, 205.135, 170.75], ['9', ' HA ', 375.591, 203.51, 173.287], ['9', ' HB2', 374.718, 202.032, 171.264], ['9', ' HB3', 373.82, 203.073, 172.07], ['9', ' HG2', 375.068, 203.439, 169.61], ['9', ' HG3', 373.653, 204.001, 170.081], ['9', ' HD2', 375.666, 205.538, 169.988], ['9', ' HD3', 374.568, 205.735, 171.141]]
[['9', ' N ', 377.724, 202.385, 171.148], ['9', ' CA ', 378.807, 201.419, 170.916], ['9', ' C ', 380.085, 201.652, 171.744], ['9', ' O ', 381.125, 201.062, 171.44], ['9', ' CB ', 379.169, 201.396, 169.426], ['9', ' H ', 377.605, 203.043, 170.392], ['9', ' HA ', 378.475, 200.526, 171.144], ['9', ' HB2', 378.354, 201.311, 168.905], ['9', ' HB3', 379.347, 202.244, 169.103]]
[['9', ' N ', 380.015, 202.494, 172.777], ['9', ' CA ', 381.162, 202.751, 173.654], ['9', ' C ', 381.075, 202.001, 174.988], ['9', ' O ', 382.099, 201.555, 175.508], ['9', ' CB ', 381.311, 204.253, 173.913], ['9', ' OG ', 380.198, 204.769, 174.621], ['9', ' H ', 379.203, 203.032, 173.034], ['9', ' HA ', 381.984, 202.457, 173.21], ['9', ' HB2', 382.113, 204.404, 174.436], ['9', ' HB3', 381.381, 204.712, 173.061], ['9', ' HG ', 380.247, 205.576, 174.726]]
[['9', ' N ', 379.867, 201.867, 175.538], ['9', ' CA ', 379.67, 201.189, 176.83], ['9', ' C ', 379.097, 199.771, 176.708], ['9', ' O ', 378.824, 199.13, 177.723], ['9', ' CB ', 378.798, 202.038, 177.776], ['9', ' CG ', 377.401, 202.359, 177.269], ['9', ' CD1', 376.371, 201.424, 177.351], ['9', ' CD2', 377.107, 203.606, 176.726], ['9', ' CE1', 375.097, 201.717, 176.893], ['9', ' CE2', 375.835, 203.908, 176.267], ['9', ' CZ ', 374.834, 202.961, 176.353], ['9', ' OH ', 373.571, 203.259, 175.897], ['9', ' H ', 379.013, 202.206, 175.123], ['9', ' HA ', 380.539, 201.097, 177.273], ['9', ' HB2', 378.701, 201.567, 178.618], ['9', ' HB3', 379.251, 202.882, 177.932], ['9', ' HD1', 376.542, 200.585, 177.713], ['9', ' HD2', 377.778, 204.247, 176.664], ['9', ' HE1', 374.422, 201.081, 176.951], ['9', ' HE2', 375.657, 204.745, 175.901], ['9', ' HH ', 373.018, 203.236, 176.458]]
[['9', ' N ', 378.928, 199.279, 175.48], ['9', ' CA ', 378.457, 197.909, 175.256], ['9', ' C ', 379.615, 196.923, 175.031], ['9', ' O ', 379.398, 195.789, 174.577], ['9', ' CB ', 377.483, 197.863, 174.073], ['9', ' CG ', 376.227, 198.738, 174.172], ['9', ' CD1', 375.391, 198.61, 172.906], ['9', ' CD2', 375.393, 198.397, 175.397], ['9', ' H ', 379.101, 199.787, 174.625], ['9', ' HA ', 377.966, 197.603, 176.045], ['9', ' HB2', 377.962, 198.138, 173.276], ['9', ' HB3', 377.178, 196.948, 173.964], ['9', ' HG ', 376.499, 199.661, 174.26], ['9', 'HD11', 375.932, 198.85, 172.149], ['9', 'HD12', 374.636, 199.199, 172.969], ['9', 'HD13', 375.092, 197.702, 172.82], ['9', 'HD21', 375.27, 197.445, 175.436], ['9', 'HD22', 374.542, 198.835, 175.327], ['9', 'HD23', 375.853, 198.701, 176.183]]
[['9', ' N ', 380.834, 197.362, 175.347], ['9', ' CA ', 382.018, 196.512, 175.306], ['9', ' C ', 382.497, 196.23, 176.731], ['9', ' O ', 382.843, 197.154, 177.469], ['9', ' CB ', 383.131, 197.185, 174.497], ['9', ' H ', 381.053, 198.305, 175.63], ['9', ' HA ', 381.806, 195.664, 174.871], ['9', ' HB2', 383.949, 196.673, 174.595], ['9', ' HB3', 382.81, 197.321, 173.596]]
[['9', ' N ', 382.513, 194.952, 177.105], ['9', ' CA ', 382.933, 194.516, 178.444], ['9', ' C ', 384.468, 194.554, 178.585], ['9', ' O ', 385.16, 194.833, 177.605], ['9', ' CB ', 382.358, 193.117, 178.728], ['9', ' CG ', 383.111, 192.008, 178.014], ['9', ' ND2', 383.099, 190.814, 178.599], ['9', ' OD1', 383.684, 192.215, 176.944], ['9', ' H ', 382.241, 194.192, 176.498], ['9', ' HA ', 382.557, 195.129, 179.11], ['9', ' HB2', 382.365, 192.937, 179.677], ['9', ' HB3', 381.443, 193.095, 178.409], ['9', 'HD21', 383.43, 190.03, 178.113], ['9', 'HD22', 382.759, 190.713, 179.513]]
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[['9', ' N ', 385.451, 170.916, 197.04], ['9', ' CA ', 386.915, 170.815, 197.114], ['9', ' C ', 387.55, 172.198, 197.287], ['9', ' O ', 388.569, 172.345, 197.964], ['9', ' CB ', 387.474, 170.137, 195.858], ['9', ' H ', 385.074, 170.635, 196.146], ['9', ' HA ', 387.161, 170.267, 197.889], ['9', ' HB2', 387.055, 169.268, 195.755], ['9', ' HB3', 387.16, 170.638, 195.054]]
[['9', ' N ', 386.932, 173.202, 196.667], ['9', ' CA ', 387.317, 174.6, 196.83], ['9', ' C ', 386.952, 175.095, 198.222], ['9', ' O ', 387.723, 175.843, 198.83], ['9', ' CB ', 386.627, 175.505, 195.781], ['9', ' CG1', 387.067, 176.956, 195.948], ['9', ' CG2', 386.918, 175.015, 194.366], ['9', ' H ', 386.145, 173.07, 196.05], ['9', ' HA ', 388.286, 174.684, 196.717], ['9', ' HB ', 385.657, 175.468, 195.918], ['9', 'HG11', 386.554, 177.363, 196.651], ['9', 'HG12', 386.917, 177.429, 195.126], ['9', 'HG13', 388.0, 176.978, 196.17], ['9', 'HG21', 387.853, 174.81, 194.293], ['9', 'HG22', 386.684, 175.702, 193.737], ['9', 'HG23', 386.397, 174.229, 194.189]]
[['9', ' N ', 385.775, 174.683, 198.699], ['9', ' CA ', 385.277, 175.058, 200.017], ['9', ' C ', 386.256, 174.627, 201.093], ['9', ' O ', 386.568, 175.411, 202.001], ['9', ' CB ', 383.907, 174.43, 200.275], ['9', ' H ', 385.134, 174.098, 198.183], ['9', ' HA ', 385.181, 176.032, 200.061], ['9', ' HB2', 383.286, 174.735, 199.595], ['9', ' HB3', 383.98, 173.439, 200.221]]
[['9', ' N ', 386.73, 173.388, 200.966], ['9', ' CA ', 387.683, 172.81, 201.92], ['9', ' C ', 388.95, 173.659, 201.966], ['9', ' O ', 389.461, 173.976, 203.05], ['9', ' CB ', 388.041, 171.344, 201.575], ['9', ' CG1', 386.825, 170.432, 201.771], ['9', ' CG2', 389.19, 170.845, 202.446], ['9', ' CD1', 386.906, 169.123, 201.014], ['9', ' H ', 386.477, 172.763, 200.215], ['9', ' HA ', 387.281, 172.819, 202.814], ['9', ' HB ', 388.315, 171.301, 200.646], ['9', 'HG12', 386.741, 170.221, 202.714], ['9', 'HG13', 386.031, 170.892, 201.47], ['9', 'HG21', 390.023, 171.145, 202.074], ['9', 'HG22', 389.179, 169.886, 202.47], ['9', 'HG23', 389.084, 171.19, 203.336], ['9', 'HD11', 387.115, 169.307, 200.095], ['9', 'HD12', 386.058, 168.677, 201.073], ['9', 'HD13', 387.592, 168.575, 201.403]]
[['9', ' N ', 389.427, 174.013, 200.777], ['9', ' CA ', 390.634, 174.83, 200.619], ['9', ' C ', 390.457, 176.166, 201.332], ['9', ' O ', 391.35, 176.62, 202.063], ['9', ' CB ', 390.957, 175.045, 199.147], ['9', ' H ', 389.005, 173.746, 199.899], ['9', ' HA ', 391.391, 174.364, 201.031], ['9', ' HB1', 390.969, 174.195, 198.701], ['9', ' HB2', 391.818, 175.464, 199.076], ['9', ' HB3', 390.288, 175.611, 198.756]]
[['9', ' N ', 389.293, 176.767, 201.102], ['9', ' CA ', 388.933, 178.054, 201.698], ['9', ' C ', 388.982, 177.961, 203.218], ['9', ' O ', 389.541, 178.834, 203.896], ['9', ' CB ', 387.541, 178.492, 201.239], ['9', ' H ', 388.575, 176.391, 200.5], ['9', ' HA ', 389.579, 178.734, 201.411], ['9', ' HB2', 387.527, 178.537, 200.27], ['9', ' HB3', 386.878, 177.807, 201.495]]
[['9', ' N ', 388.387, 176.885, 203.725], ['9', ' CA ', 388.326, 176.609, 205.162], ['9', ' C ', 389.732, 176.529, 205.738], ['9', ' O ', 390.025, 177.119, 206.787], ['9', ' CB ', 387.577, 175.302, 205.429], ['9', ' H ', 387.928, 176.181, 203.164], ['9', ' HA ', 387.848, 177.336, 205.612], ['9', ' HB2', 386.682, 175.369, 205.059], ['9', ' HB3', 388.033, 174.556, 204.955]]
[['9', ' N ', 390.582, 175.793, 205.028], ['9', ' CA ', 391.98, 175.595, 205.413], ['9', ' C ', 392.689, 176.94, 205.518], ['9', ' O ', 393.407, 177.209, 206.494], ['9', ' CB ', 392.698, 174.701, 204.399], ['9', ' H ', 390.331, 175.309, 204.177], ['9', ' HA ', 392.016, 175.158, 206.289], ['9', ' HB2', 392.258, 173.837, 204.372], ['9', ' HB3', 392.663, 175.118, 203.5]]
[['9', ' N ', 392.465, 177.763, 204.497], ['9', ' CA ', 393.053, 179.101, 204.41], ['9', ' C ', 392.646, 179.931, 205.623], ['9', ' O ', 393.481, 180.596, 206.253], ['9', ' CB ', 392.61, 179.837, 203.131], ['9', ' H ', 391.883, 177.531, 203.705], ['9', ' HA ', 394.03, 179.026, 204.401], ['9', ' HB ', 391.618, 179.935, 203.124]]
[['9', ' N ', 391.352, 179.868, 205.925], ['9', ' CA ', 390.763, 180.595, 207.051], ['9', ' C ', 391.441, 180.18, 208.352], ['9', ' O ', 391.81, 181.026, 209.178], ['9', ' CB ', 389.261, 180.357, 207.128], ['9', ' H ', 390.679, 179.324, 205.403], ['9', ' HA ', 390.912, 181.555, 206.925], ['9', ' HB1', 388.871, 180.53, 206.267], ['9', ' HB2', 388.886, 180.952, 207.781], ['9', ' HB3', 389.098, 179.447, 207.385]]
[['9', ' N ', 391.593, 178.867, 208.502], ['9', ' CA ', 392.222, 178.269, 209.682], ['9', ' C ', 393.64, 178.803, 209.846], ['9', ' O ', 394.051, 179.19, 210.949], ['9', ' CB ', 392.245, 176.742, 209.57], ['9', ' H ', 391.284, 178.184, 207.825], ['9', ' HA ', 391.708, 178.511, 210.48], ['9', ' HB2', 391.334, 176.417, 209.494], ['9', ' HB3', 392.744, 176.48, 208.755]]
[['9', ' N ', 394.359, 178.814, 208.727], ['9', ' CA ', 395.738, 179.299, 208.676], ['9', ' C ', 395.816, 180.75, 209.155], ['9', ' O ', 396.682, 181.094, 209.97], ['9', ' CB ', 396.309, 179.165, 207.27], ['9', ' H ', 394.015, 178.487, 207.835], ['9', ' HA ', 396.288, 178.754, 209.277], ['9', ' HB1', 396.158, 178.271, 206.953], ['9', ' HB2', 397.252, 179.345, 207.301], ['9', ' HB3', 395.877, 179.796, 206.692]]
[['9', ' N ', 394.93, 181.603, 208.643], ['9', ' CA ', 394.915, 183.021, 209.012], ['9', ' C ', 394.212, 183.231, 210.349], ['9', ' O ', 394.761, 182.92, 211.406], ['9', ' CB ', 394.225, 183.851, 207.927], ['9', ' H ', 394.217, 181.347, 207.974], ['9', ' HA ', 395.835, 183.348, 209.097], ['9', ' HB2', 394.676, 183.703, 207.081], ['9', ' HB3', 393.308, 183.518, 207.751]]
Please check result here: /bio/kihara-web/www/em/em-web-server/media/jobs/output/e733a936990c11b60e0d3d25b015f845/daq_score_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 : DAQ Done
If the output looks wrong or the job has failed. You can submit it for review here.