[1]:
"""Here, we scrape PSCDB (protein Structural Change Database http://idp1.force.cs.is.nagoya-u.ac.jp/pscdb/index.html"""
[1]:
'Here, we scrape PSCDB (protein Structural Change Database http://idp1.force.cs.is.nagoya-u.ac.jp/pscdb/index.html'
[2]:
import pandas as pd
import rdkit
from Bio.PDB import *
---------------------------------------------------------------------------
ModuleNotFoundError Traceback (most recent call last)
<ipython-input-2-e641122ac6ca> in <module>
1 import pandas as pd
----> 2 import rdkit
3 from Bio.PDB import *
ModuleNotFoundError: No module named 'rdkit'
[3]:
coupled_domain_motion = pd.read_html("http://idp1.force.cs.is.nagoya-u.ac.jp/pscdb/cd.html", header=0)[0]
coupled_domain_motion['motion_type'] = 'coupled_domain_motion'
independent_domain_motion = pd.read_html("http://idp1.force.cs.is.nagoya-u.ac.jp/pscdb/id.html", header=0)[0]
independent_domain_motion['motion_type'] = 'independent_domain_motion'
coupled_local_motion = pd.read_html("http://idp1.force.cs.is.nagoya-u.ac.jp/pscdb/cl.html", header=0)[0]
coupled_local_motion['motion_type'] = 'coupled_local_motion'
independent_local_motion = pd.read_html("http://idp1.force.cs.is.nagoya-u.ac.jp/pscdb/il.html", header=0)[0]
independent_local_motion['motion_type'] = 'independent_local_motion'
burying_ligand_motion = pd.read_html("http://idp1.force.cs.is.nagoya-u.ac.jp/pscdb/b.html", header=0)[0]
burying_ligand_motion['motion_type'] = 'burying_ligand_motion'
no_significant_motion = pd.read_html("http://idp1.force.cs.is.nagoya-u.ac.jp/pscdb/n.html", header=0)[0]
no_significant_motion['motion_type'] = 'no_significant_motion'
other_motion = pd.read_html("http://idp1.force.cs.is.nagoya-u.ac.jp/pscdb/b.html", header=0)[0]
other_motion['motion_type'] = 'other_motion'
structural_rearrangement_data = pd.concat([coupled_domain_motion, independent_domain_motion,
coupled_local_motion, independent_local_motion,
burying_ligand_motion, no_significant_motion, other_motion]).reset_index()
print(structural_rearrangement_data)
index PSCID Protein Name Free form Bound form \
0 0 CD.1 HYPOTHETICAL OXIDOREDUCTASE YIAK 1nxu_AB 1s20_AB
1 1 CD.2 ADENYLATE KINASE 4ake_A 2eck_A
2 2 CD.3 GLUCOKINASE 1q18_AB 1sz2_AB
3 3 CD.4 LACTOFERRIN 1lfh_A 1lfi_A
4 4 CD.5 ELONGATION FACTOR 2 1n0v_D 1n0u_A
.. ... ... ... ... ...
903 99 B.100 325AA LONG HYPOTHETICAL PROTEIN 2dec_AB 2df8_AB
904 100 B.101 LIPOCALIN 3bu9_A 3bu1_A
905 101 B.102 AECTYLCITRULLINE DEACETYLASE 2f8h_AA 2f7v_AA
906 102 B.103 LIPOYLTRANSFERASE 2qht_A 2qhv_A
907 103 B.104 RIBOSE 5-PHOSPHATE ISOMERASE 1uj4_AA 1uj5_AA
Ligands Classification(?) motion_type
0 2xNAD,2xTLA 200004 coupled_domain_motion
1 ADP,AMP 200003 coupled_domain_motion
2 2xBGC 200003 coupled_domain_motion
3 2xCU,2xNAG 110103 coupled_domain_motion
4 SO1 110002 coupled_domain_motion
.. ... ... ...
903 2xF1P 10 other_motion
904 HSM 10 other_motion
905 2xCO 10 other_motion
906 OC9 10 other_motion
907 2x5RP 10 other_motion
[908 rows x 8 columns]
[32]:
# Split into chains
free_structures = structural_rearrangement_data['Free form'].str.split('_', expand=True)
bound_structures = structural_rearrangement_data['Bound form'].str.split('_', expand=True)
# Add columns
structural_rearrangement_data['Free PDB'] = free_structures[0]
structural_rearrangement_data['Free Chains'] = free_structures[1]
structural_rearrangement_data['Bound PDB'] = bound_structures[0]
structural_rearrangement_data['Bound Chains'] = bound_structures[1]
# Drop obsolete structures
obsolete = ['1m80', '1cmw', '1g40', '2ihi', '1hl0', '2gkq', '2glb', '2g2j', '2dpo', '2h98', '2gu9', '2bg1', '1q4o', '1il5', '3cey', '1yks']
structural_rearrangement_data = structural_rearrangement_data.loc[~structural_rearrangement_data['Free PDB'].isin(obsolete)]
structural_rearrangement_data = structural_rearrangement_data.loc[~structural_rearrangement_data['Bound PDB'].isin(obsolete)]
print(structural_rearrangement_data)
#structural_rearrangement_data.reset_index(inplace=True)
structural_rearrangement_data.to_csv('structural_rearrangement_data.csv')
level_0 index PSCID Protein Name Free form \
0 0 0 CD.1 HYPOTHETICAL OXIDOREDUCTASE YIAK 1nxu_AB
1 1 1 CD.2 ADENYLATE KINASE 4ake_A
2 2 2 CD.3 GLUCOKINASE 1q18_AB
3 3 3 CD.4 LACTOFERRIN 1lfh_A
4 4 4 CD.5 ELONGATION FACTOR 2 1n0v_D
.. ... ... ... ... ...
900 903 99 B.100 325AA LONG HYPOTHETICAL PROTEIN 2dec_AB
901 904 100 B.101 LIPOCALIN 3bu9_A
902 905 101 B.102 AECTYLCITRULLINE DEACETYLASE 2f8h_AA
903 906 102 B.103 LIPOYLTRANSFERASE 2qht_A
904 907 103 B.104 RIBOSE 5-PHOSPHATE ISOMERASE 1uj4_AA
Bound form Ligands Classification(?) motion_type \
0 1s20_AB 2xNAD,2xTLA 200004 coupled_domain_motion
1 2eck_A ADP,AMP 200003 coupled_domain_motion
2 1sz2_AB 2xBGC 200003 coupled_domain_motion
3 1lfi_A 2xCU,2xNAG 110103 coupled_domain_motion
4 1n0u_A SO1 110002 coupled_domain_motion
.. ... ... ... ...
900 2df8_AB 2xF1P 10 other_motion
901 3bu1_A HSM 10 other_motion
902 2f7v_AA 2xCO 10 other_motion
903 2qhv_A OC9 10 other_motion
904 1uj5_AA 2x5RP 10 other_motion
Free PDB Free Chains Bound PDB Bound Chains
0 1nxu AB 1s20 AB
1 4ake A 2eck A
2 1q18 AB 1sz2 AB
3 1lfh A 1lfi A
4 1n0v D 1n0u A
.. ... ... ... ...
900 2dec AB 2df8 AB
901 3bu9 A 3bu1 A
902 2f8h AA 2f7v AA
903 2qht A 2qhv A
904 1uj4 AA 1uj5 AA
[891 rows x 13 columns]
[ ]:
# Download PDBs
[29]:
pdbl = PDBList()
pdb_list = pd.concat([structural_rearrangement_data['Free PDB'], structural_rearrangement_data['Bound PDB']]).unique()
pdbl.download_pdb_files(pdb_list, obsolete=False, pdir='pdbs/', file_format='pdb', overwrite=True)
#Rename PDB files from .ent to .pdb\n
!cd pdbs/; for f in *.ent; do mv -- "$f" "${f%.ent}.pdb"; done
# Remove pdb prefix from PDB file names (e.g. pdb20jj.ent -> 20jj.pdb)\n",
!cd pdbs/; for x in *; do mv $x `echo $x | cut -c 4-`; done
Downloading PDB structure '1nxu'...
Downloading PDB structure '4ake'...
Downloading PDB structure '1q18'...
Downloading PDB structure '1lfh'...
Downloading PDB structure '1n0v'...
Downloading PDB structure '5csc'...
Downloading PDB structure '2p0m'...
Downloading PDB structure '3cze'...
Downloading PDB structure '2bjb'...
Downloading PDB structure '2ex0'...
Downloading PDB structure '1oen'...
Downloading PDB structure '2car'...
Downloading PDB structure '2pry'...
Downloading PDB structure '1d2r'...
Downloading PDB structure '2gg4'...
Downloading PDB structure '1gqz'...
Downloading PDB structure '1qzt'...
Downloading PDB structure '1pn2'...
Downloading PDB structure '2nrb'...
Downloading PDB structure '1t8p'...
Downloading PDB structure '1vh3'...
Downloading PDB structure '2gca'...
Downloading PDB structure '1yz5'...
Downloading PDB structure '1y2q'...
Downloading PDB structure '2e2n'...
Downloading PDB structure '1sjs'...
Downloading PDB structure '1xk7'...
Downloading PDB structure '2f7m'...
Downloading PDB structure '2znd'...
Downloading PDB structure '1x0a'...
Downloading PDB structure '1oid'...
Downloading PDB structure '3d8r'...
Downloading PDB structure '1zty'...
Downloading PDB structure '1z15'...
Downloading PDB structure '1l5t'...
Downloading PDB structure '2ghb'...
Downloading PDB structure '2uvg'...
Downloading PDB structure '2c00'...
Downloading PDB structure '1zkb'...
Downloading PDB structure '1ex6'...
Downloading PDB structure '3c6q'...
Downloading PDB structure '2q5r'...
Downloading PDB structure '1lio'...
Downloading PDB structure '2h98'...
Downloading PDB structure '1xgd'...
Downloading PDB structure '2brw'...
Downloading PDB structure '1jej'...
Downloading PDB structure '2cgk'...
Downloading PDB structure '1a48'...
Downloading PDB structure '2qrj'...
Downloading PDB structure '2ous'...
Downloading PDB structure '1fwl'...
Downloading PDB structure '1yhk'...
Downloading PDB structure '1eym'...
Downloading PDB structure '1meo'...
Downloading PDB structure '2q50'...
Downloading PDB structure '1yj4'...
Downloading PDB structure '2cbi'...
Downloading PDB structure '1sbq'...
Downloading PDB structure '1g7r'...
Downloading PDB structure '1bbw'...
Downloading PDB structure '1h4v'...
Downloading PDB structure '2olu'...
Downloading PDB structure '2ns7'...
Downloading PDB structure '1o17'...
Downloading PDB structure '1m80'...
Desired structure doesn't exists
Downloading PDB structure '1z9u'...
Downloading PDB structure '2hni'...
Downloading PDB structure '1e0d'...
Downloading PDB structure '1ynf'...
Downloading PDB structure '1vgt'...
Downloading PDB structure '2nxc'...
Downloading PDB structure '1l7d'...
Downloading PDB structure '2gk7'...
Downloading PDB structure '1fmv'...
Downloading PDB structure '2gt1'...
Downloading PDB structure '1cmw'...
Desired structure doesn't exists
Downloading PDB structure '2o1p'...
Downloading PDB structure '1w2f'...
Downloading PDB structure '2qmr'...
Downloading PDB structure '2fh4'...
Downloading PDB structure '1smt'...
Downloading PDB structure '1tqd'...
Downloading PDB structure '2pkf'...
Downloading PDB structure '2o5p'...
Downloading PDB structure '3csg'...
Downloading PDB structure '2gf7'...
Downloading PDB structure '2ec5'...
Downloading PDB structure '1j8t'...
Downloading PDB structure '1e4f'...
Downloading PDB structure '2ps3'...
Downloading PDB structure '1gu7'...
Downloading PDB structure '1bet'...
Downloading PDB structure '1r5d'...
Downloading PDB structure '1g40'...
Desired structure doesn't exists
Downloading PDB structure '2hyg'...
Downloading PDB structure '1eut'...
Downloading PDB structure '1qmt'...
Downloading PDB structure '3eug'...
Downloading PDB structure '1wxx'...
Downloading PDB structure '1fzr'...
Downloading PDB structure '1ogb'...
Downloading PDB structure '1dpg'...
Downloading PDB structure '1r0s'...
Downloading PDB structure '2cfo'...
Downloading PDB structure '2i78'...
Downloading PDB structure '1lr9'...
Downloading PDB structure '1dcl'...
Downloading PDB structure '1jyu'...
Downloading PDB structure '3ezm'...
Downloading PDB structure '2qza'...
Downloading PDB structure '3c3b'...
Downloading PDB structure '2zc2'...
Downloading PDB structure '3deo'...
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Downloading PDB structure '2vj2'...
Downloading PDB structure '1rki'...
Downloading PDB structure '3b8s'...
Downloading PDB structure '2ddb'...
Downloading PDB structure '1oxs'...
Downloading PDB structure '2j4r'...
Downloading PDB structure '1uk2'...
Downloading PDB structure '2dpy'...
Downloading PDB structure '1g6y'...
Downloading PDB structure '2o1c'...
Downloading PDB structure '1g9u'...
Downloading PDB structure '1rif'...
Downloading PDB structure '2rjc'...
Downloading PDB structure '1uln'...
Downloading PDB structure '1wpo'...
Downloading PDB structure '2qm8'...
Downloading PDB structure '1wd8'...
Downloading PDB structure '1dg3'...
Downloading PDB structure '3enl'...
Downloading PDB structure '1vk3'...
Downloading PDB structure '2g67'...
Downloading PDB structure '3bwb'...
Downloading PDB structure '2cn2'...
Downloading PDB structure '1ywf'...
Downloading PDB structure '2gp7'...
Downloading PDB structure '1kp9'...
Downloading PDB structure '1sqe'...
Downloading PDB structure '1pa1'...
Downloading PDB structure '1so7'...
Downloading PDB structure '2de2'...
Downloading PDB structure '2go1'...
Downloading PDB structure '2e3c'...
Downloading PDB structure '1irm'...
Downloading PDB structure '2vcl'...
Downloading PDB structure '2btz'...
Downloading PDB structure '2osw'...
Downloading PDB structure '1x56'...
Downloading PDB structure '1ofp'...
Downloading PDB structure '2qt8'...
Downloading PDB structure '2q0d'...
Downloading PDB structure '1qme'...
Downloading PDB structure '2zcg'...
Downloading PDB structure '1gyn'...
Downloading PDB structure '1kn9'...
Downloading PDB structure '3b7y'...
Downloading PDB structure '2amj'...
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Downloading PDB structure '2rkt'...
Downloading PDB structure '1fdp'...
Downloading PDB structure '2vxm'...
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Downloading PDB structure '1xxo'...
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Downloading PDB structure '1bs0'...
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Downloading PDB structure '1aja'...
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Downloading PDB structure '2iyt'...
Downloading PDB structure '2fb9'...
Downloading PDB structure '1xja'...
Downloading PDB structure '1pzt'...
Downloading PDB structure '1b6b'...
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Downloading PDB structure '1kx9'...
Downloading PDB structure '2z1c'...
Downloading PDB structure '2gu9'...
Downloading PDB structure '1zuh'...
Downloading PDB structure '3seb'...
Downloading PDB structure '2zlb'...
Downloading PDB structure '3bqh'...
Downloading PDB structure '2f4b'...
Downloading PDB structure '1jfv'...
Downloading PDB structure '1nzu'...
Downloading PDB structure '1ww7'...
Downloading PDB structure '1kt9'...
Downloading PDB structure '1nxm'...
Downloading PDB structure '2hv6'...
Downloading PDB structure '2o0k'...
Downloading PDB structure '1bhs'...
Downloading PDB structure '1tib'...
Downloading PDB structure '1gqn'...
Downloading PDB structure '1vjs'...
Downloading PDB structure '1hz6'...
Downloading PDB structure '2gt2'...
Downloading PDB structure '2i4l'...
Downloading PDB structure '2og6'...
Downloading PDB structure '2p52'...
Downloading PDB structure '1l7o'...
Downloading PDB structure '1ey0'...
Downloading PDB structure '1n00'...
Downloading PDB structure '1bsq'...
Downloading PDB structure '1r1c'...
Downloading PDB structure '2z8n'...
Downloading PDB structure '1t2w'...
Downloading PDB structure '2vrk'...
Downloading PDB structure '2b7k'...
Downloading PDB structure '1ujm'...
Downloading PDB structure '2epl'...
Downloading PDB structure '2r4i'...
Downloading PDB structure '1smk'...
Downloading PDB structure '2rda'...
Downloading PDB structure '1qat'...
Downloading PDB structure '1wdp'...
Downloading PDB structure '2j24'...
Downloading PDB structure '3ei7'...
Downloading PDB structure '2zco'...
Downloading PDB structure '1jez'...
Downloading PDB structure '1x0v'...
Downloading PDB structure '1i6w'...
Downloading PDB structure '2ze4'...
Downloading PDB structure '2dps'...
Downloading PDB structure '1rn4'...
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Downloading PDB structure '2on3'...
Downloading PDB structure '1mqr'...
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Downloading PDB structure '2c9r'...
Downloading PDB structure '2bgq'...
Downloading PDB structure '1m22'...
Downloading PDB structure '2vf4'...
Downloading PDB structure '1fo8'...
Downloading PDB structure '2q18'...
Downloading PDB structure '1tqi'...
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Downloading PDB structure '1nsj'...
Downloading PDB structure '2etv'...
Downloading PDB structure '2bce'...
Downloading PDB structure '1rba'...
Downloading PDB structure '1s0g'...
Downloading PDB structure '2ihi'...
Desired structure doesn't exists
Downloading PDB structure '2f8s'...
Downloading PDB structure '1goh'...
Downloading PDB structure '1yuy'...
Downloading PDB structure '2p7l'...
Downloading PDB structure '1m47'...
Downloading PDB structure '1vde'...
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Downloading PDB structure '1kzh'...
Downloading PDB structure '3bok'...
Downloading PDB structure '1ymy'...
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Downloading PDB structure '1tws'...
Downloading PDB structure '1f8n'...
Downloading PDB structure '1sry'...
Downloading PDB structure '1jop'...
Downloading PDB structure '1rxt'...
Downloading PDB structure '1u6e'...
Downloading PDB structure '1xyf'...
Downloading PDB structure '3c8v'...
Downloading PDB structure '2dwq'...
Downloading PDB structure '2orx'...
Downloading PDB structure '1lyy'...
Downloading PDB structure '3e59'...
Downloading PDB structure '1zy4'...
Downloading PDB structure '2dh3'...
Downloading PDB structure '1jde'...
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Downloading PDB structure '2v6f'...
Downloading PDB structure '2bg1'...
Downloading PDB structure '1mw9'...
Downloading PDB structure '1tr9'...
Downloading PDB structure '2imo'...
Downloading PDB structure '1qzq'...
Downloading PDB structure '2zig'...
Downloading PDB structure '2dul'...
Downloading PDB structure '1uzq'...
Downloading PDB structure '2fjy'...
Downloading PDB structure '2f6p'...
Downloading PDB structure '3bgu'...
Downloading PDB structure '2dke'...
Downloading PDB structure '2qfd'...
Downloading PDB structure '2ci3'...
Downloading PDB structure '2jdw'...
Downloading PDB structure '1ivn'...
Downloading PDB structure '1pvw'...
Downloading PDB structure '2pqi'...
Downloading PDB structure '1xe8'...
Downloading PDB structure '2e0k'...
Downloading PDB structure '1a3h'...
Downloading PDB structure '2znb'...
Downloading PDB structure '2pgx'...
Downloading PDB structure '1ds0'...
Downloading PDB structure '1q4o'...
Downloading PDB structure '2fss'...
Downloading PDB structure '1t2u'...
Downloading PDB structure '3c2h'...
Downloading PDB structure '2cz9'...
Downloading PDB structure '2nrt'...
Downloading PDB structure '1br8'...
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Downloading PDB structure '1h3i'...
Downloading PDB structure '1hka'...
Downloading PDB structure '2f1w'...
Downloading PDB structure '2fz6'...
Downloading PDB structure '1q31'...
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Downloading PDB structure '2it9'...
Downloading PDB structure '1p92'...
Downloading PDB structure '2gol'...
Downloading PDB structure '3d97'...
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Downloading PDB structure '1od4'...
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Downloading PDB structure '1tvl'...
Downloading PDB structure '3cgz'...
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Downloading PDB structure '2obl'...
Downloading PDB structure '1uoc'...
Downloading PDB structure '2ddm'...
Downloading PDB structure '2lkf'...
Downloading PDB structure '2qvl'...
Downloading PDB structure '2hp3'...
Downloading PDB structure '2i2w'...
Downloading PDB structure '2d2e'...
Downloading PDB structure '1w16'...
Downloading PDB structure '1obp'...
Downloading PDB structure '1na5'...
Downloading PDB structure '3wrp'...
Downloading PDB structure '2f08'...
Downloading PDB structure '2quk'...
Downloading PDB structure '2acf'...
Downloading PDB structure '2i7h'...
Downloading PDB structure '1ozt'...
Downloading PDB structure '1uu0'...
Downloading PDB structure '1beo'...
Downloading PDB structure '2sbt'...
Downloading PDB structure '1hxj'...
Downloading PDB structure '1gy0'...
Downloading PDB structure '1fqn'...
Downloading PDB structure '2qvk'...
Downloading PDB structure '1x8e'...
Downloading PDB structure '2qbv'...
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Downloading PDB structure '2box'...
Downloading PDB structure '2av8'...
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Downloading PDB structure '2zr3'...
Downloading PDB structure '2iqy'...
Downloading PDB structure '2bkb'...
Downloading PDB structure '1vf8'...
Downloading PDB structure '1fhm'...
Downloading PDB structure '1usl'...
Downloading PDB structure '2fyo'...
Downloading PDB structure '2fp8'...
Downloading PDB structure '2g6v'...
Downloading PDB structure '3chi'...
Downloading PDB structure '2byw'...
Downloading PDB structure '2aej'...
Downloading PDB structure '1wac'...
Downloading PDB structure '1ncz'...
Downloading PDB structure '1arl'...
Downloading PDB structure '2f3n'...
Downloading PDB structure '1juk'...
Downloading PDB structure '2bw0'...
Downloading PDB structure '2yyv'...
Downloading PDB structure '2hkl'...
Downloading PDB structure '2oam'...
Downloading PDB structure '1kko'...
Downloading PDB structure '2o6f'...
Downloading PDB structure '1bt2'...
Downloading PDB structure '1lkp'...
Downloading PDB structure '1iad'...
Downloading PDB structure '2p76'...
Downloading PDB structure '2yu2'...
Downloading PDB structure '1l7r'...
Downloading PDB structure '2vzo'...
Downloading PDB structure '1dcd'...
Downloading PDB structure '2e3j'...
Downloading PDB structure '2qev'...
Downloading PDB structure '2vfw'...
Downloading PDB structure '1mkb'...
Downloading PDB structure '1fa8'...
Downloading PDB structure '3c6y'...
Downloading PDB structure '1qam'...
Downloading PDB structure '2veo'...
Downloading PDB structure '2i49'...
Downloading PDB structure '1tee'...
Downloading PDB structure '1hzt'...
Downloading PDB structure '1hl0'...
Desired structure doesn't exists
Downloading PDB structure '1snz'...
Downloading PDB structure '1iiw'...
Downloading PDB structure '2b3l'...
Downloading PDB structure '2v28'...
Downloading PDB structure '1esc'...
Downloading PDB structure '2cwc'...
Downloading PDB structure '2a0k'...
Downloading PDB structure '2iw2'...
Downloading PDB structure '1ilw'...
Downloading PDB structure '3bbe'...
Downloading PDB structure '1l5n'...
Downloading PDB structure '3bf7'...
Downloading PDB structure '1tzb'...
Downloading PDB structure '1oi2'...
Downloading PDB structure '2dec'...
Downloading PDB structure '3bu9'...
Downloading PDB structure '2f8h'...
Downloading PDB structure '2qht'...
Downloading PDB structure '1uj4'...
Downloading PDB structure '1m14'...
Downloading PDB structure '1mix'...
Downloading PDB structure '1jrk'...
Downloading PDB structure '1w59'...
Downloading PDB structure '1g24'...
Downloading PDB structure '1vz0'...
Downloading PDB structure '2f6l'...
Downloading PDB structure '2idh'...
Downloading PDB structure '3dj1'...
Downloading PDB structure '2hhl'...
Downloading PDB structure '1w90'...
Downloading PDB structure '2j3p'...
Downloading PDB structure '2cua'...
Downloading PDB structure '1u4r'...
Downloading PDB structure '1i4s'...
Downloading PDB structure '1sza'...
Downloading PDB structure '1mmi'...
Downloading PDB structure '1jqq'...
Downloading PDB structure '1gaj'...
Downloading PDB structure '1gnu'...
Downloading PDB structure '5gal'...
Downloading PDB structure '1vll'...
Downloading PDB structure '3bzt'...
Downloading PDB structure '2q04'...
Downloading PDB structure '1il5'...
Downloading PDB structure '1wn2'...
Downloading PDB structure '2gkq'...
Desired structure doesn't exists
Downloading PDB structure '2d59'...
Downloading PDB structure '1wns'...
Downloading PDB structure '2fcj'...
Downloading PDB structure '1uuj'...
Downloading PDB structure '2hts'...
Downloading PDB structure '1w1h'...
Downloading PDB structure '1yes'...
Downloading PDB structure '2h74'...
Downloading PDB structure '2c3g'...
Downloading PDB structure '2ok3'...
Downloading PDB structure '1m6t'...
Downloading PDB structure '1orb'...
Downloading PDB structure '1u8t'...
Downloading PDB structure '2bl7'...
Downloading PDB structure '2ccq'...
Downloading PDB structure '2pe8'...
Downloading PDB structure '1p9u'...
Downloading PDB structure '2z42'...
Downloading PDB structure '1nk1'...
Downloading PDB structure '2d2q'...
Downloading PDB structure '1l0h'...
Downloading PDB structure '1xze'...
Downloading PDB structure '2h68'...
Downloading PDB structure '2bis'...
Downloading PDB structure '1f46'...
Downloading PDB structure '2c3v'...
Downloading PDB structure '1i3c'...
Downloading PDB structure '1z52'...
Downloading PDB structure '1fil'...
Downloading PDB structure '1gnd'...
Downloading PDB structure '1yft'...
Downloading PDB structure '1ox8'...
Downloading PDB structure '2ecr'...
Downloading PDB structure '1r6k'...
Downloading PDB structure '1p5q'...
Downloading PDB structure '1jwf'...
Downloading PDB structure '2gvl'...
Downloading PDB structure '1k9x'...
Downloading PDB structure '2dcz'...
Downloading PDB structure '1xqv'...
Downloading PDB structure '1slc'...
Downloading PDB structure '2fs5'...
Downloading PDB structure '1yz4'...
Downloading PDB structure '1lwb'...
Downloading PDB structure '2d1z'...
Downloading PDB structure '2ckd'...
Downloading PDB structure '2hvf'...
Downloading PDB structure '1pp3'...
Downloading PDB structure '2bjw'...
Downloading PDB structure '2gty'...
Downloading PDB structure '2q5x'...
Downloading PDB structure '1knl'...
Downloading PDB structure '1lxt'...
Downloading PDB structure '2rad'...
Downloading PDB structure '1oee'...
Downloading PDB structure '1t7n'...
Downloading PDB structure '3c8n'...
Downloading PDB structure '1vhr'...
Downloading PDB structure '2zg2'...
Downloading PDB structure '2gxu'...
Downloading PDB structure '1gcu'...
Downloading PDB structure '1qim'...
Downloading PDB structure '4kiv'...
Downloading PDB structure '3e2j'...
Downloading PDB structure '1gxm'...
Downloading PDB structure '2cbm'...
Downloading PDB structure '2if8'...
Downloading PDB structure '2z2n'...
Downloading PDB structure '1ayf'...
Downloading PDB structure '1fbt'...
Downloading PDB structure '1cz3'...
Downloading PDB structure '1x2j'...
Downloading PDB structure '3dwh'...
Downloading PDB structure '1qpo'...
Downloading PDB structure '2awx'...
Downloading PDB structure '1wgc'...
Downloading PDB structure '2a6c'...
Downloading PDB structure '1b6w'...
Downloading PDB structure '1sqg'...
Downloading PDB structure '1u24'...
Downloading PDB structure '1glh'...
Downloading PDB structure '2huz'...
Downloading PDB structure '1f14'...
Downloading PDB structure '2iru'...
Downloading PDB structure '2h1v'...
Downloading PDB structure '1ew4'...
Downloading PDB structure '1jax'...
Downloading PDB structure '1wcv'...
Downloading PDB structure '1w79'...
Downloading PDB structure '1nh1'...
Downloading PDB structure '3cb6'...
Downloading PDB structure '1gyj'...
Downloading PDB structure '1zgr'...
Downloading PDB structure '1kpc'...
Downloading PDB structure '2byd'...
Downloading PDB structure '1cmb'...
Downloading PDB structure '1h09'...
Downloading PDB structure '3cyp'...
Downloading PDB structure '2nyh'...
Downloading PDB structure '2jfd'...
Downloading PDB structure '1ri5'...
Downloading PDB structure '2ii2'...
Downloading PDB structure '2i6i'...
Downloading PDB structure '1tw7'...
Downloading PDB structure '2atb'...
Downloading PDB structure '1n57'...
Downloading PDB structure '1qsa'...
Downloading PDB structure '1xnh'...
Downloading PDB structure '3cey'...
Downloading PDB structure '2obr'...
Downloading PDB structure '1ppn'...
Downloading PDB structure '1tje'...
Downloading PDB structure '1ah6'...
Downloading PDB structure '2eak'...
Downloading PDB structure '1wny'...
Downloading PDB structure '1f6y'...
Downloading PDB structure '1na8'...
Downloading PDB structure '1ayx'...
Downloading PDB structure '1h8u'...
Downloading PDB structure '1bk7'...
Downloading PDB structure '1k75'...
Downloading PDB structure '2r7f'...
Downloading PDB structure '1c3f'...
Downloading PDB structure '2raf'...
Downloading PDB structure '1w28'...
Downloading PDB structure '1r7i'...
Downloading PDB structure '2hzb'...
Downloading PDB structure '2vfx'...
Downloading PDB structure '3d9i'...
Downloading PDB structure '1j85'...
Downloading PDB structure '4ptd'...
Downloading PDB structure '1twd'...
Downloading PDB structure '1bdj'...
Downloading PDB structure '2f5g'...
Downloading PDB structure '1qjv'...
Downloading PDB structure '2qgq'...
Downloading PDB structure '2vfy'...
Downloading PDB structure '1ww8'...
Downloading PDB structure '3c8h'...
Downloading PDB structure '1r6j'...
Downloading PDB structure '1agj'...
Downloading PDB structure '1v8q'...
Downloading PDB structure '2d05'...
Downloading PDB structure '2r88'...
Downloading PDB structure '2eh1'...
Downloading PDB structure '1gy7'...
Downloading PDB structure '1l8f'...
Downloading PDB structure '2fao'...
Downloading PDB structure '1e9n'...
Downloading PDB structure '4mat'...
Downloading PDB structure '2j16'...
Downloading PDB structure '2hqq'...
Downloading PDB structure '1qj9'...
Downloading PDB structure '1ohd'...
Downloading PDB structure '2fbt'...
Downloading PDB structure '1vz2'...
Downloading PDB structure '3db4'...
Downloading PDB structure '1czt'...
Downloading PDB structure '2rem'...
Downloading PDB structure '1nl3'...
Downloading PDB structure '3c1z'...
Downloading PDB structure '1uyp'...
Downloading PDB structure '1wtj'...
Downloading PDB structure '1xxl'...
Downloading PDB structure '3bi9'...
Downloading PDB structure '1cqz'...
Downloading PDB structure '2hy7'...
Downloading PDB structure '2d0a'...
Downloading PDB structure '2uy2'...
Downloading PDB structure '1uc8'...
Downloading PDB structure '3sqc'...
Downloading PDB structure '2glb'...
Desired structure doesn't exists
Downloading PDB structure '2pfl'...
Downloading PDB structure '2paw'...
Downloading PDB structure '2q4o'...
Downloading PDB structure '1lf6'...
Downloading PDB structure '1fe4'...
Downloading PDB structure '2ree'...
Downloading PDB structure '2q6z'...
Downloading PDB structure '2egt'...
Downloading PDB structure '1ut9'...
Downloading PDB structure '2gwm'...
Downloading PDB structure '1i7a'...
Downloading PDB structure '1qyo'...
Downloading PDB structure '2f1v'...
Downloading PDB structure '2bkn'...
Downloading PDB structure '1ogm'...
Downloading PDB structure '1f1m'...
Downloading PDB structure '2e4p'...
Downloading PDB structure '1ebb'...
Downloading PDB structure '1o9z'...
Downloading PDB structure '1l0x'...
Downloading PDB structure '2jhj'...
Downloading PDB structure '2cck'...
Downloading PDB structure '3crm'...
Downloading PDB structure '1plu'...
Downloading PDB structure '3eo4'...
Downloading PDB structure '1ll3'...
Downloading PDB structure '1na3'...
Downloading PDB structure '1ltu'...
Downloading PDB structure '3d59'...
Downloading PDB structure '1c3p'...
Downloading PDB structure '1qba'...
Downloading PDB structure '1l7j'...
Downloading PDB structure '2hzr'...
Downloading PDB structure '2e1y'...
Downloading PDB structure '1eg3'...
Downloading PDB structure '2d2r'...
Downloading PDB structure '1bia'...
Downloading PDB structure '2jcp'...
Downloading PDB structure '1b73'...
Downloading PDB structure '1va0'...
Downloading PDB structure '2fv0'...
Downloading PDB structure '1nw8'...
Downloading PDB structure '3b9n'...
Downloading PDB structure '1sgk'...
Downloading PDB structure '1v43'...
Downloading PDB structure '1dqg'...
Downloading PDB structure '2g2j'...
Desired structure doesn't exists
Downloading PDB structure '2ghr'...
Downloading PDB structure '1xix'...
Downloading PDB structure '2v3j'...
Downloading PDB structure '1yks'...
Downloading PDB structure '1h9s'...
Downloading PDB structure '1edz'...
Downloading PDB structure '2hbj'...
Downloading PDB structure '2j0a'...
Downloading PDB structure '2vx4'...
Downloading PDB structure '3cxu'...
Downloading PDB structure '2g0a'...
Downloading PDB structure '1ty0'...
Downloading PDB structure '1cem'...
Downloading PDB structure '2jfu'...
Downloading PDB structure '1zs7'...
Downloading PDB structure '1kuf'...
Downloading PDB structure '1mpg'...
Downloading PDB structure '1q6h'...
Downloading PDB structure '2yvn'...
Downloading PDB structure '2p0f'...
Downloading PDB structure '3cj1'...
Downloading PDB structure '2bvy'...
Downloading PDB structure '2cb9'...
Downloading PDB structure '2hkn'...
Downloading PDB structure '1w17'...
Downloading PDB structure '1lbq'...
Downloading PDB structure '1wxd'...
Downloading PDB structure '1w9s'...
Downloading PDB structure '153l'...
Downloading PDB structure '2jh1'...
Downloading PDB structure '2e1u'...
Downloading PDB structure '1yd3'...
Downloading PDB structure '1tf5'...
Downloading PDB structure '2ciq'...
Downloading PDB structure '2pgd'...
Downloading PDB structure '1xw3'...
Downloading PDB structure '3csr'...
Downloading PDB structure '1smn'...
Downloading PDB structure '2dpo'...
Desired structure doesn't exists
Downloading PDB structure '1obs'...
Downloading PDB structure '1wos'...
Downloading PDB structure '2nsg'...
Downloading PDB structure '1auo'...
Downloading PDB structure '2r57'...
Downloading PDB structure '1jly'...
Downloading PDB structure '1i9y'...
Downloading PDB structure '2fma'...
Downloading PDB structure '2r60'...
Downloading PDB structure '1g5r'...
Downloading PDB structure '1jsy'...
Downloading PDB structure '2r11'...
Downloading PDB structure '2g7e'...
Downloading PDB structure '1j23'...
Downloading PDB structure '2o4u'...
Downloading PDB structure '2vl3'...
Downloading PDB structure '3byl'...
Downloading PDB structure '1yqg'...
Downloading PDB structure '2c4k'...
Downloading PDB structure '2qtf'...
Downloading PDB structure '3eua'...
Downloading PDB structure '1hf8'...
Downloading PDB structure '3c7m'...
Downloading PDB structure '2q22'...
Downloading PDB structure '1g0z'...
Downloading PDB structure '2qb0'...
Downloading PDB structure '1s20'...
Downloading PDB structure '2eck'...
Downloading PDB structure '1sz2'...
Downloading PDB structure '1lfi'...
Downloading PDB structure '1n0u'...
Downloading PDB structure '6cts'...
Downloading PDB structure '3czk'...
Downloading PDB structure '2o0d'...
Downloading PDB structure '2ihz'...
Downloading PDB structure '2olr'...
Downloading PDB structure '2j4e'...
Downloading PDB structure '2prz'...
Downloading PDB structure '1m83'...
Downloading PDB structure '2pqc'...
Downloading PDB structure '2gke'...
Downloading PDB structure '2af3'...
Downloading PDB structure '1pn4'...
Downloading PDB structure '1o9l'...
Downloading PDB structure '2h4z'...
Downloading PDB structure '1jbw'...
Downloading PDB structure '1ywt'...
Downloading PDB structure '2hl0'...
Downloading PDB structure '2e2o'...
Downloading PDB structure '1pb1'...
Downloading PDB structure '1xvt'...
Downloading PDB structure '2f8z'...
Downloading PDB structure '2zn9'...
Downloading PDB structure '1vbi'...
Downloading PDB structure '1ho5'...
Downloading PDB structure '3d8n'...
Downloading PDB structure '1zu0'...
Downloading PDB structure '1z17'...
Downloading PDB structure '1lct'...
Downloading PDB structure '2gha'...
Downloading PDB structure '2uvi'...
Downloading PDB structure '2vqd'...
Downloading PDB structure '1jvy'...
Downloading PDB structure '1gky'...
Downloading PDB structure '2jg1'...
Downloading PDB structure '1lii'...
Downloading PDB structure '2h9q'...
Desired structure doesn't exists
Downloading PDB structure '1ef3'...
Downloading PDB structure '1ojp'...
Downloading PDB structure '1qkj'...
Downloading PDB structure '2uyt'...
Downloading PDB structure '2cnq'...
Downloading PDB structure '2qrl'...
Downloading PDB structure '2ouu'...
Downloading PDB structure '1h72'...
Downloading PDB structure '1yhm'...
Downloading PDB structure '1j4r'...
Downloading PDB structure '1rby'...
Downloading PDB structure '2gcg'...
Downloading PDB structure '1yyr'...
Downloading PDB structure '2j62'...
Downloading PDB structure '1u3g'...
Downloading PDB structure '1g7t'...
Downloading PDB structure '1bbu'...
Downloading PDB structure '1ady'...
Downloading PDB structure '2olv'...
Downloading PDB structure '2ns8'...
Downloading PDB structure '1zxy'...
Downloading PDB structure '1bg0'...
Downloading PDB structure '1s7n'...
Downloading PDB structure '2dth'...
Downloading PDB structure '1eeh'...
Downloading PDB structure '1ynh'...
Downloading PDB structure '1i52'...
Downloading PDB structure '2nxe'...
Downloading PDB structure '1l7e'...
Downloading PDB structure '2gk6'...
Downloading PDB structure '1w9j'...
Downloading PDB structure '2h1f'...
Downloading PDB structure '1taq'...
Downloading PDB structure '2hhp'...
Downloading PDB structure '1w2d'...
Downloading PDB structure '2z5k'...
Downloading PDB structure '1p8x'...
Downloading PDB structure '1r22'...
Downloading PDB structure '1tq6'...
Downloading PDB structure '2pkn'...
Downloading PDB structure '2iah'...
Downloading PDB structure '3csb'...
Downloading PDB structure '2gfa'...
Downloading PDB structure '2ebf'...
Downloading PDB structure '1mmt'...
Downloading PDB structure '1e4g'...
Downloading PDB structure '2ps0'...
Downloading PDB structure '1guf'...
Downloading PDB structure '1btg'...
Downloading PDB structure '1tq9'...
Downloading PDB structure '1rid'...
Desired structure doesn't exists
Downloading PDB structure '2f5f'...
Downloading PDB structure '1w8n'...
Downloading PDB structure '1dyt'...
Downloading PDB structure '1flz'...
Downloading PDB structure '2cww'...
Downloading PDB structure '1m0d'...
Downloading PDB structure '1w1y'...
Downloading PDB structure '2dpg'...
Downloading PDB structure '1r15'...
Downloading PDB structure '1u8e'...
Downloading PDB structure '1lr8'...
Downloading PDB structure '1mcs'...
Downloading PDB structure '1jyr'...
Downloading PDB structure '1l5b'...
Downloading PDB structure '2qyu'...
Downloading PDB structure '2zgv'...
Downloading PDB structure '3dep'...
Downloading PDB structure '2v8j'...
Downloading PDB structure '3b9d'...
Downloading PDB structure '2epf'...
Downloading PDB structure '1oxu'...
Downloading PDB structure '1t6c'...
Downloading PDB structure '2z3c'...
Downloading PDB structure '1jzr'...
Downloading PDB structure '1jl5'...
Downloading PDB structure '2rhu'...
Downloading PDB structure '1uha'...
Downloading PDB structure '1njt'...
Downloading PDB structure '2qm7'...
Downloading PDB structure '1wd9'...
Downloading PDB structure '1f5n'...
Downloading PDB structure '2one'...
Downloading PDB structure '2hs4'...
Downloading PDB structure '2g25'...
Downloading PDB structure '3bwc'...
Downloading PDB structure '2cn3'...
Downloading PDB structure '2oz5'...
Downloading PDB structure '2gpu'...
Downloading PDB structure '1kph'...
Downloading PDB structure '2zdp'...
Downloading PDB structure '1t48'...
Downloading PDB structure '1vcu'...
Downloading PDB structure '2de3'...
Downloading PDB structure '2nad'...
Downloading PDB structure '2zim'...
Downloading PDB structure '2dy5'...
Downloading PDB structure '2vck'...
Downloading PDB structure '2bu2'...
Downloading PDB structure '2osx'...
Downloading PDB structure '1x55'...
Downloading PDB structure '1of6'...
Downloading PDB structure '3dwr'...
Downloading PDB structure '2q0e'...
Downloading PDB structure '1pyy'...
Downloading PDB structure '2za1'...
Downloading PDB structure '1zen'...
Downloading PDB structure '1b12'...
Downloading PDB structure '2b3d'...
Downloading PDB structure '2dkc'...
Downloading PDB structure '2rkv'...
Downloading PDB structure '1bio'...
Downloading PDB structure '2jcj'...
Downloading PDB structure '1rft'...
Downloading PDB structure '2aq6'...
Downloading PDB structure '2eb8'...
Downloading PDB structure '3bqo'...
Downloading PDB structure '2ag4'...
Downloading PDB structure '2r1r'...
Downloading PDB structure '1kmp'...
Downloading PDB structure '1dj9'...
Downloading PDB structure '1ime'...
Downloading PDB structure '2f3e'...
Downloading PDB structure '1ttj'...
Downloading PDB structure '2a86'...
Downloading PDB structure '1ea6'...
Downloading PDB structure '1elz'...
Downloading PDB structure '2ywf'...
Downloading PDB structure '2gz1'...
Downloading PDB structure '2f9w'...
Downloading PDB structure '1q0q'...
Downloading PDB structure '2iyx'...
Downloading PDB structure '2zdq'...
Downloading PDB structure '2aac'...
Downloading PDB structure '1o0r'...
Downloading PDB structure '1cjw'...
Downloading PDB structure '1dqy'...
Downloading PDB structure '1n8v'...
Downloading PDB structure '2ilb'...
Desired structure doesn't exists
Downloading PDB structure '1zui'...
Downloading PDB structure '1se3'...
Downloading PDB structure '2cl5'...
Downloading PDB structure '3bqf'...
Downloading PDB structure '2om9'...
Downloading PDB structure '1rxe'...
Downloading PDB structure '3bec'...
Downloading PDB structure '1ww4'...
Downloading PDB structure '1ktg'...
Downloading PDB structure '2ixl'...
Downloading PDB structure '2hv7'...
Downloading PDB structure '2o0j'...
Downloading PDB structure '1i5r'...
Downloading PDB structure '1ein'...
Downloading PDB structure '1l9w'...
Downloading PDB structure '1bli'...
Downloading PDB structure '1k52'...
Downloading PDB structure '1rya'...
Downloading PDB structure '2i4n'...
Downloading PDB structure '2og7'...
Downloading PDB structure '2iom'...
Downloading PDB structure '1l7p'...
Downloading PDB structure '1stb'...
Downloading PDB structure '3brx'...
Downloading PDB structure '2gj5'...
Downloading PDB structure '2z8p'...
Downloading PDB structure '2vrq'...
Downloading PDB structure '2b7j'...
Downloading PDB structure '1y1p'...
Downloading PDB structure '2epn'...
Downloading PDB structure '1juj'...
Downloading PDB structure '1djz'...
Downloading PDB structure '1q6f'...
Downloading PDB structure '2j27'...
Downloading PDB structure '2z1z'...
Downloading PDB structure '2zcq'...
Downloading PDB structure '1k8c'...
Downloading PDB structure '1wpq'...
Downloading PDB structure '1r4z'...
Downloading PDB structure '2ze9'...
Downloading PDB structure '2dpt'...
Downloading PDB structure '2bir'...
Downloading PDB structure '2b51'...
Downloading PDB structure '2oo0'...
Downloading PDB structure '1mqq'...
Downloading PDB structure '2ob2'...
Downloading PDB structure '2c9p'...
Downloading PDB structure '2vdg'...
Downloading PDB structure '1m21'...
Downloading PDB structure '2vf5'...
Downloading PDB structure '1foa'...
Downloading PDB structure '2q1c'...
Downloading PDB structure '1zao'...
Downloading PDB structure '1jxi'...
Downloading PDB structure '1lbm'...
Downloading PDB structure '1akn'...
Downloading PDB structure '9rub'...
Downloading PDB structure '1f31'...
Downloading PDB structure '3cc9'...
Downloading PDB structure '1yvu'...
Downloading PDB structure '1k3i'...
Downloading PDB structure '1yvz'...
Downloading PDB structure '2p7p'...
Downloading PDB structure '1pw6'...
Downloading PDB structure '1ef0'...
Downloading PDB structure '2f48'...
Downloading PDB structure '2ise'...
Downloading PDB structure '2p50'...
Downloading PDB structure '2e3p'...
Downloading PDB structure '1tx2'...
Downloading PDB structure '2sbl'...
Downloading PDB structure '1set'...
Downloading PDB structure '1s4c'...
Downloading PDB structure '2qo0'...
Downloading PDB structure '1v6u'...
Downloading PDB structure '2dby'...
Downloading PDB structure '2orz'...
Downloading PDB structure '1re2'...
Downloading PDB structure '1zyd'...
Downloading PDB structure '1kc7'...
Downloading PDB structure '1fhv'...
Downloading PDB structure '2v6g'...
Downloading PDB structure '2uwy'...
Desired structure doesn't exists
Downloading PDB structure '1cy0'...
Downloading PDB structure '2oxn'...
Downloading PDB structure '1z2l'...
Downloading PDB structure '1rg2'...
Downloading PDB structure '2zif'...
Downloading PDB structure '2ytz'...
Downloading PDB structure '1uzj'...
Downloading PDB structure '1dqe'...
Downloading PDB structure '2f8d'...
Downloading PDB structure '2d1e'...
Downloading PDB structure '2qfb'...
Downloading PDB structure '2ci6'...
Downloading PDB structure '4jdw'...
Downloading PDB structure '1u8u'...
Downloading PDB structure '1snn'...
Downloading PDB structure '2pqj'...
Downloading PDB structure '2e0n'...
Downloading PDB structure '1qhz'...
Downloading PDB structure '1a8t'...
Downloading PDB structure '2oyr'...
Downloading PDB structure '1gvg'...
Downloading PDB structure '2ojs'...
Desired structure doesn't exists
Downloading PDB structure '2j6i'...
Downloading PDB structure '1t15'...
Downloading PDB structure '3c2g'...
Downloading PDB structure '2dei'...
Downloading PDB structure '2nrz'...
Downloading PDB structure '1azx'...
Downloading PDB structure '1h8s'...
Downloading PDB structure '1mt6'...
Downloading PDB structure '1rao'...
Downloading PDB structure '2fop'...
Downloading PDB structure '1lvb'...
Downloading PDB structure '1g51'...
Downloading PDB structure '2hrl'...
Downloading PDB structure '1pz7'...
Downloading PDB structure '1k4m'...
Downloading PDB structure '2q7t'...
Downloading PDB structure '1vsf'...
Downloading PDB structure '1xtj'...
Downloading PDB structure '1upk'...
Downloading PDB structure '1fv3'...
Downloading PDB structure '1sdw'...
Downloading PDB structure '1g3y'...
Downloading PDB structure '2gon'...
Downloading PDB structure '2z76'...
Downloading PDB structure '1qyy'...
Downloading PDB structure '1x2h'...
Downloading PDB structure '2fsn'...
Downloading PDB structure '3dbs'...
Downloading PDB structure '1ebf'...
Downloading PDB structure '2jkg'...
Downloading PDB structure '1n4a'...
Downloading PDB structure '2gzs'...
Downloading PDB structure '2a0n'...
Downloading PDB structure '2oek'...
Downloading PDB structure '2jeq'...
Downloading PDB structure '1huj'...
Downloading PDB structure '2j9t'...
Downloading PDB structure '1k0n'...
Downloading PDB structure '2dds'...
Downloading PDB structure '2pmd'...
Downloading PDB structure '3c94'...
Downloading PDB structure '3d5w'...
Downloading PDB structure '3c3o'...
Downloading PDB structure '2vq3'...
Downloading PDB structure '1od2'...
Downloading PDB structure '1h78'...
Downloading PDB structure '2qoq'...
Downloading PDB structure '1fcv'...
Downloading PDB structure '1hvc'...
Downloading PDB structure '4pbg'...
Downloading PDB structure '1pnf'...
Downloading PDB structure '1dkq'...
Downloading PDB structure '1r7y'...
Downloading PDB structure '1nom'...
Downloading PDB structure '2zcc'...
Downloading PDB structure '2ajh'...
Downloading PDB structure '2ce9'...
Downloading PDB structure '1i8q'...
Downloading PDB structure '2eep'...
Downloading PDB structure '1yw1'...
Downloading PDB structure '3cgy'...
Downloading PDB structure '2obm'...
Downloading PDB structure '2ddo'...
Downloading PDB structure '3lkf'...
Downloading PDB structure '2qv7'...
Downloading PDB structure '2hp0'...
Downloading PDB structure '2i22'...
Downloading PDB structure '2d2f'...
Downloading PDB structure '1w15'...
Downloading PDB structure '1pbo'...
Downloading PDB structure '1ido'...
Downloading PDB structure '2oz9'...
Downloading PDB structure '1xwv'...
Downloading PDB structure '2quj'...
Downloading PDB structure '2fav'...
Downloading PDB structure '1spd'...
Downloading PDB structure '1uu2'...
Downloading PDB structure '1lri'...
Downloading PDB structure '1ubn'...
Downloading PDB structure '1v08'...
Downloading PDB structure '1gxz'...
Downloading PDB structure '1xev'...
Downloading PDB structure '2qvm'...
Downloading PDB structure '1x82'...
Downloading PDB structure '2vkl'...
Downloading PDB structure '1ve7'...
Downloading PDB structure '2art'...
Downloading PDB structure '2dso'...
Downloading PDB structure '2zf4'...
Downloading PDB structure '2bo2'...
Downloading PDB structure '1pfr'...
Downloading PDB structure '1nuh'...
Downloading PDB structure '3psr'...
Downloading PDB structure '2rcb'...
Downloading PDB structure '2yvk'...
Downloading PDB structure '1uk9'...
Downloading PDB structure '1i1h'...
Downloading PDB structure '2o74'...
Downloading PDB structure '2vb2'...
Downloading PDB structure '1ui7'...
Downloading PDB structure '2vw1'...
Downloading PDB structure '1qz3'...
Downloading PDB structure '3bgg'...
Downloading PDB structure '1fk1'...
Downloading PDB structure '1ocl'...
Downloading PDB structure '2e7j'...
Downloading PDB structure '2p69'...
Downloading PDB structure '1md9'...
Downloading PDB structure '1w6f'...
Downloading PDB structure '2dq0'...
Downloading PDB structure '2iqx'...
Downloading PDB structure '1za5'...
Downloading PDB structure '1e9l'...
Downloading PDB structure '1t9p'...
Downloading PDB structure '2vvo'...
Downloading PDB structure '2fw3'...
Downloading PDB structure '2fp9'...
Downloading PDB structure '2obc'...
Downloading PDB structure '3cht'...
Downloading PDB structure '2bui'...
Downloading PDB structure '2aef'...
Downloading PDB structure '1hhs'...
Downloading PDB structure '5tnc'...
Downloading PDB structure '1cpx'...
Downloading PDB structure '2f44'...
Downloading PDB structure '1lbl'...
Downloading PDB structure '2cfi'...
Downloading PDB structure '2yzo'...
Downloading PDB structure '1zat'...
Downloading PDB structure '2oa1'...
Downloading PDB structure '1kkr'...
Downloading PDB structure '2o6e'...
Downloading PDB structure '1bug'...
Downloading PDB structure '1dvb'...
Downloading PDB structure '1iaa'...
Downloading PDB structure '2oog'...
Downloading PDB structure '2yu1'...
Downloading PDB structure '1ju4'...
Downloading PDB structure '2vzs'...
Downloading PDB structure '1dxg'...
Downloading PDB structure '2zjf'...
Downloading PDB structure '2qeo'...
Downloading PDB structure '2vg0'...
Downloading PDB structure '1mka'...
Downloading PDB structure '1f9z'...
Downloading PDB structure '1yas'...
Downloading PDB structure '1qaq'...
Downloading PDB structure '2i4c'...
Downloading PDB structure '1ted'...
Downloading PDB structure '1r67'...
Downloading PDB structure '1w8e'...
Downloading PDB structure '1so0'...
Downloading PDB structure '1ii5'...
Downloading PDB structure '2b3h'...
Downloading PDB structure '2v27'...
Downloading PDB structure '1ese'...
Downloading PDB structure '2yzv'...
Downloading PDB structure '2f62'...
Downloading PDB structure '2okn'...
Downloading PDB structure '1im5'...
Downloading PDB structure '3bbh'...
Downloading PDB structure '1l5l'...
Downloading PDB structure '3bf8'...
Downloading PDB structure '1tzc'...
Downloading PDB structure '1uod'...
Downloading PDB structure '2df8'...
Downloading PDB structure '3bu1'...
Downloading PDB structure '2f7v'...
Downloading PDB structure '2qhv'...
Downloading PDB structure '1uj5'...
Downloading PDB structure '2itp'...
Downloading PDB structure '1miz'...
Downloading PDB structure '1k2e'...
Downloading PDB structure '1w5e'...
Downloading PDB structure '1gzf'...
Downloading PDB structure '2ao2'...
Downloading PDB structure '2oei'...
Downloading PDB structure '3diw'...
Downloading PDB structure '1gwm'...
Downloading PDB structure '2uus'...
Downloading PDB structure '1u4m'...
Downloading PDB structure '1rc5'...
Downloading PDB structure '1ok7'...
Downloading PDB structure '1n5z'...
Downloading PDB structure '1g6h'...
Downloading PDB structure '3d32'...
Downloading PDB structure '4gal'...
Downloading PDB structure '1omo'...
Downloading PDB structure '3c03'...
Downloading PDB structure '1apg'...
Desired structure doesn't exists
Downloading PDB structure '2d3k'...
Downloading PDB structure '2avr'...
Desired structure doesn't exists
Downloading PDB structure '2d5a'...
Downloading PDB structure '1wn7'...
Downloading PDB structure '2i5r'...
Downloading PDB structure '1fyk'...
Downloading PDB structure '1w1d'...
Downloading PDB structure '3bmy'...
Downloading PDB structure '1tho'...
Downloading PDB structure '2c3h'...
Downloading PDB structure '2oju'...
Downloading PDB structure '1lm3'...
Downloading PDB structure '1dp2'...
Downloading PDB structure '2bl8'...
Downloading PDB structure '2hpl'...
Downloading PDB structure '2peh'...
Downloading PDB structure '2zaa'...
Downloading PDB structure '1gmo'...
Downloading PDB structure '2zpy'...
Downloading PDB structure '2fae'...
Downloading PDB structure '1xzk'...
Downloading PDB structure '2g9a'...
Downloading PDB structure '1y2f'...
Downloading PDB structure '2c3w'...
Downloading PDB structure '1jlk'...
Downloading PDB structure '3c0o'...
Downloading PDB structure '1awi'...
Downloading PDB structure '1lv0'...
Downloading PDB structure '1yfr'...
Downloading PDB structure '1ox9'...
Downloading PDB structure '2ed4'...
Downloading PDB structure '1r6n'...
Downloading PDB structure '1qz2'...
Downloading PDB structure '1jwg'...
Downloading PDB structure '2gvg'...
Downloading PDB structure '1ka2'...
Downloading PDB structure '2qz3'...
Downloading PDB structure '1xrr'...
Downloading PDB structure '1slb'...
Downloading PDB structure '2ft0'...
Downloading PDB structure '1kp4'...
Downloading PDB structure '2d24'...
Downloading PDB structure '2uyq'...
Downloading PDB structure '2hba'...
Downloading PDB structure '2oqn'...
Downloading PDB structure '2c9c'...
Downloading PDB structure '2hyr'...
Downloading PDB structure '2q5y'...
Downloading PDB structure '1mc9'...
Downloading PDB structure '3pmg'...
Downloading PDB structure '3b55'...
Downloading PDB structure '1oek'...
Downloading PDB structure '1ndi'...
Downloading PDB structure '3b4y'...
Downloading PDB structure '1j4x'...
Downloading PDB structure '2zg1'...
Downloading PDB structure '2gxs'...
Downloading PDB structure '1lc3'...
Downloading PDB structure '1zgc'...
Downloading PDB structure '3kiv'...
Downloading PDB structure '3e3z'...
Downloading PDB structure '1gxo'...
Downloading PDB structure '2cbo'...
Downloading PDB structure '2z2p'...
Downloading PDB structure '2bt6'...
Downloading PDB structure '1c80'...
Downloading PDB structure '1d1g'...
Downloading PDB structure '1x2r'...
Downloading PDB structure '3bi7'...
Downloading PDB structure '1qpr'...
Downloading PDB structure '2g2l'...
Downloading PDB structure '2uvo'...
Downloading PDB structure '1a7w'...
Downloading PDB structure '1sqf'...
Downloading PDB structure '1u26'...
Downloading PDB structure '1byh'...
Downloading PDB structure '2o28'...
Downloading PDB structure '1f12'...
Downloading PDB structure '2iry'...
Downloading PDB structure '1c1h'...
Downloading PDB structure '2eff'...
Downloading PDB structure '1jay'...
Downloading PDB structure '2bej'...
Downloading PDB structure '1w8y'...
Downloading PDB structure '2nun'...
Downloading PDB structure '3cb5'...
Downloading PDB structure '1gyx'...
Downloading PDB structure '1zgs'...
Downloading PDB structure '1kpf'...
Downloading PDB structure '2c43'...
Downloading PDB structure '1mjl'...
Downloading PDB structure '2j8g'...
Downloading PDB structure '3cyq'...
Downloading PDB structure '2p8i'...
Downloading PDB structure '2jfk'...
Downloading PDB structure '1ri2'...
Downloading PDB structure '2iic'...
Downloading PDB structure '2i6p'...
Downloading PDB structure '1rv7'...
Downloading PDB structure '2asc'...
Downloading PDB structure '1ons'...
Downloading PDB structure '1sly'...
Downloading PDB structure '1xng'...
Downloading PDB structure '3dbb'...
Desired structure doesn't exists
Downloading PDB structure '2obt'...
Downloading PDB structure '4pad'...
Downloading PDB structure '1tkg'...
Downloading PDB structure '1amw'...
Downloading PDB structure '2eal'...
Downloading PDB structure '1wk8'...
Downloading PDB structure '2ogy'...
Downloading PDB structure '1om9'...
Downloading PDB structure '2f6d'...
Downloading PDB structure '2brs'...
Downloading PDB structure '1ucg'...
Downloading PDB structure '1kae'...
Downloading PDB structure '2r7d'...
Downloading PDB structure '1c8y'...
Downloading PDB structure '1w2o'...
Downloading PDB structure '1t02'...
Downloading PDB structure '2o2z'...
Downloading PDB structure '3d9p'...
Downloading PDB structure '1mxi'...
Downloading PDB structure '1gym'...
Downloading PDB structure '1x8c'...
Downloading PDB structure '2a0b'...
Downloading PDB structure '2f4f'...
Downloading PDB structure '2nt9'...
Downloading PDB structure '2vfk'...
Downloading PDB structure '2dvm'...
Downloading PDB structure '3c8d'...
Downloading PDB structure '1oby'...
Downloading PDB structure '1exf'...
Downloading PDB structure '1qgi'...
Downloading PDB structure '2r8a'...
Downloading PDB structure '1gyb'...
Downloading PDB structure '1oa7'...
Downloading PDB structure '2faq'...
Downloading PDB structure '2isi'...
Downloading PDB structure '3mat'...
Downloading PDB structure '2j17'...
Downloading PDB structure '2hw1'...
Downloading PDB structure '1qj8'...
Downloading PDB structure '1ohe'...
Downloading PDB structure '2fc0'...
Downloading PDB structure '1o6g'...
Downloading PDB structure '3db3'...
Downloading PDB structure '1czs'...
Downloading PDB structure '1nkt'...
Downloading PDB structure '3c1y'...
Downloading PDB structure '1w2t'...
Downloading PDB structure '2cwh'...
Downloading PDB structure '2glu'...
Downloading PDB structure '3bib'...
Downloading PDB structure '1ek2'...
Downloading PDB structure '2q6v'...
Downloading PDB structure '2d0c'...
Downloading PDB structure '2uy3'...
Downloading PDB structure '1uc9'...
Downloading PDB structure '2sqc'...
Downloading PDB structure '2p36'...
Desired structure doesn't exists
Downloading PDB structure '1h16'...
Downloading PDB structure '1efy'...
Downloading PDB structure '2a33'...
Downloading PDB structure '1lf9'...
Downloading PDB structure '1fee'...
Downloading PDB structure '2ref'...
Downloading PDB structure '2q71'...
Downloading PDB structure '2e8e'...
Downloading PDB structure '1rq5'...
Downloading PDB structure '2gwl'...
Downloading PDB structure '1jbz'...
Downloading PDB structure '2f1t'...
Downloading PDB structure '2bko'...
Downloading PDB structure '1ogo'...
Downloading PDB structure '1h2f'...
Downloading PDB structure '1o9w'...
Downloading PDB structure '1l0y'...
Downloading PDB structure '2jhn'...
Downloading PDB structure '2ccj'...
Downloading PDB structure '3crq'...
Downloading PDB structure '2ewe'...
Downloading PDB structure '1ll2'...
Downloading PDB structure '1ltz'...
Downloading PDB structure '3d5e'...
Downloading PDB structure '1c3r'...
Downloading PDB structure '1c7s'...
Downloading PDB structure '1mmu'...
Downloading PDB structure '2hzq'...
Downloading PDB structure '2e20'...
Downloading PDB structure '1eg4'...
Downloading PDB structure '2dtn'...
Downloading PDB structure '1bib'...
Downloading PDB structure '2jcr'...
Downloading PDB structure '1b74'...
Downloading PDB structure '1v9a'...
Downloading PDB structure '2fv1'...
Downloading PDB structure '1nw5'...
Downloading PDB structure '3b9o'...
Downloading PDB structure '1ddt'...
Downloading PDB structure '1vci'...
Downloading PDB structure '1fwu'...
Downloading PDB structure '2rb4'...
Downloading PDB structure '2vdj'...
Downloading PDB structure '1ne9'...
Downloading PDB structure '2v3k'...
Downloading PDB structure '1ymf'...
Desired structure doesn't exists
Downloading PDB structure '1h9r'...
Downloading PDB structure '1ee9'...
Downloading PDB structure '2hbm'...
Downloading PDB structure '2j0b'...
Downloading PDB structure '2vx7'...
Downloading PDB structure '2cjp'...
Downloading PDB structure '2g09'...
Downloading PDB structure '1ty2'...
Downloading PDB structure '1kwf'...
Downloading PDB structure '2jfv'...
Downloading PDB structure '2cx1'...
Downloading PDB structure '1kug'...
Downloading PDB structure '1pvs'...
Downloading PDB structure '1q6i'...
Downloading PDB structure '2yvp'...
Downloading PDB structure '2p0h'...
Downloading PDB structure '3cja'...
Downloading PDB structure '2bvt'...
Downloading PDB structure '2cbg'...
Downloading PDB structure '2hl3'...
Downloading PDB structure '1w1a'...
Downloading PDB structure '1l8x'...
Downloading PDB structure '2ev9'...
Downloading PDB structure '1w9w'...
Downloading PDB structure '1lsp'...
Downloading PDB structure '2jh7'...
Downloading PDB structure '2e1t'...
Downloading PDB structure '1yd4'...
Downloading PDB structure '1tf2'...
Downloading PDB structure '2cir'...
Downloading PDB structure '1pgn'...
Downloading PDB structure '3cyi'...
Downloading PDB structure '3ct5'...
Downloading PDB structure '1g8t'...
Downloading PDB structure '2ep9'...
Desired structure doesn't exists
Downloading PDB structure '1ifu'...
Downloading PDB structure '1wop'...
Downloading PDB structure '2nsf'...
Downloading PDB structure '1aur'...
Downloading PDB structure '2r5m'...
Downloading PDB structure '1jlx'...
Downloading PDB structure '1i9z'...
Downloading PDB structure '2fk1'...
Downloading PDB structure '2r68'...
Downloading PDB structure '1g5t'...
Downloading PDB structure '1zsh'...
Downloading PDB structure '2g7f'...
Downloading PDB structure '1j25'...
Downloading PDB structure '2o48'...
Downloading PDB structure '2vl2'...
Downloading PDB structure '3byn'...
Downloading PDB structure '2ag8'...
Downloading PDB structure '2qth'...
Downloading PDB structure '1hg2'...
Downloading PDB structure '1u4j'...
[27]:
# Download Ligands
[27]:
1541
[19]:
## Make Graphs
import os
[25]:
structural_rearrangement_data['Free PDB'].loc[structural_rearrangement_data['Free PDB'].isin(f)]
[25]:
Series([], Name: Free PDB, dtype: object)
[31]:
f = [f[:-4] for f in os.listdir('pdbs')]
structural_rearrangement_data['Free PDB'].loc[~structural_rearrangement_data['Bound PDB'].isin(f)]
[31]:
43 2h98
190 2gu9
283 2bg1
307 1q4o
514 1il5
625 3cey
688 2glb
739 1yks
774 2dpo
Name: Free PDB, dtype: object
[ ]: