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''
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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
1 batch processing time 0.097279
2 batch processing time 0.096354
3 batch processing time 0.097274
4 batch processing time 0.098687
5 batch processing time 0.097518
6 batch processing time 0.096921
7 batch processing time 0.095865
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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]]
[['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]]
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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.