[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'...
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Downloading PDB structure '1uk2'...
Downloading PDB structure '2dpy'...
Downloading PDB structure '1g6y'...
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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'...
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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'...
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Downloading PDB structure '1qme'...
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Downloading PDB structure '1gyn'...
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Downloading PDB structure '1xja'...
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Downloading PDB structure '1b6b'...
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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'...
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Downloading PDB structure '2og6'...
Downloading PDB structure '2p52'...
Downloading PDB structure '1l7o'...
Downloading PDB structure '1ey0'...
Downloading PDB structure '1n00'...
Downloading PDB structure '1bsq'...
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Downloading PDB structure '2b7k'...
Downloading PDB structure '1ujm'...
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Downloading PDB structure '1smk'...
Downloading PDB structure '2rda'...
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Downloading PDB structure '2j24'...
Downloading PDB structure '3ei7'...
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Downloading PDB structure '2dps'...
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Downloading PDB structure '1mqr'...
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Downloading PDB structure '1m22'...
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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'...
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Downloading PDB structure '3bok'...
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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'...
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Downloading PDB structure '1lyy'...
Downloading PDB structure '3e59'...
Downloading PDB structure '1zy4'...
Downloading PDB structure '2dh3'...
Downloading PDB structure '1jde'...
Downloading PDB structure '2ofj'...
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'...
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Downloading PDB structure '2f6p'...
Downloading PDB structure '3bgu'...
Downloading PDB structure '2dke'...
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Downloading PDB structure '2jdw'...
Downloading PDB structure '1ivn'...
Downloading PDB structure '1pvw'...
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Downloading PDB structure '1xe8'...
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Downloading PDB structure '1a3h'...
Downloading PDB structure '2znb'...
Downloading PDB structure '2pgx'...
Downloading PDB structure '1ds0'...
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Downloading PDB structure '2fss'...
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Downloading PDB structure '3c2h'...
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Downloading PDB structure '2nrt'...
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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 '1pbg'...
Downloading PDB structure '1pgs'...
Downloading PDB structure '1dkl'...
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Downloading PDB structure '2veg'...
Downloading PDB structure '1rpl'...
Downloading PDB structure '2znv'...
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Downloading PDB structure '2sbt'...
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Downloading PDB structure '1x8e'...
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Downloading PDB structure '2box'...
Downloading PDB structure '2av8'...
Downloading PDB structure '1jiq'...
Downloading PDB structure '1psr'...
Downloading PDB structure '2rca'...
Downloading PDB structure '2yrf'...
Downloading PDB structure '1iun'...
Downloading PDB structure '1f2v'...
Downloading PDB structure '2o70'...
Downloading PDB structure '2vb3'...
Downloading PDB structure '1avk'...
Downloading PDB structure '2vw0'...
Downloading PDB structure '1evq'...
Downloading PDB structure '2eaw'...
Downloading PDB structure '1mzl'...
Downloading PDB structure '1o9n'...
Downloading PDB structure '1jx1'...
Downloading PDB structure '2e7i'...
Downloading PDB structure '2oyc'...
Downloading PDB structure '1mdf'...
Downloading PDB structure '1w5r'...
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
[ ]: