data_1I5Y

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  1I5Y
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    1I5Y
_pdbx_vrpt_summary.PDB_deposition_date         2001-03-01
_pdbx_vrpt_summary.PDB_revision_number         5
_pdbx_vrpt_summary.PDB_revision_date           2023-08-09
_pdbx_vrpt_summary.report_creation_date        2023-08-03:04:35
_pdbx_vrpt_summary.attempted_validation_steps  molprobity,validation-pack,mogul,percentiles,writexml,writecif,writepdf
_pdbx_vrpt_summary.ligands_for_buster_report   N
#
loop_
_pdbx_vrpt_entity.id
_pdbx_vrpt_entity.type
_pdbx_vrpt_entity.description
1  polymer      "TRANSMEMBRANE GLYCOPROTEIN (GP41)"  
2  non-polymer  "SULFATE ION"  
3  water        water  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  2  
C  3  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all  x-ray  
2  2.1  x-ray  
#
loop_
_pdbx_vrpt_percentile_type.id
_pdbx_vrpt_percentile_type.type
1  all_atom_clashscore           
2  Ramachandran_outlier_percent  
3  rotamer_outliers_percent      
#
loop_
_pdbx_vrpt_percentile_conditions.id
_pdbx_vrpt_percentile_conditions.percentile_list_id
_pdbx_vrpt_percentile_conditions.type_id
_pdbx_vrpt_percentile_conditions.rank
_pdbx_vrpt_percentile_conditions.number_entries_total
_pdbx_vrpt_percentile_conditions.res_high
_pdbx_vrpt_percentile_conditions.res_low
1  1  1   46.14  141614     ?     ?  
2  2  1   47.50    5710  2.10  2.10  
3  1  2  100.00  138981     ?     ?  
4  2  2  100.00    5647  2.10  2.10  
5  1  3   54.80  138945     ?     ?  
6  2  3   60.50    5648  2.10  2.10  
#
loop_
_pdbx_vrpt_percentile_entity_view.ordinal
_pdbx_vrpt_percentile_entity_view.conditions_id
_pdbx_vrpt_percentile_entity_view.type_id
_pdbx_vrpt_percentile_entity_view.label_asym_id
_pdbx_vrpt_percentile_entity_view.PDB_model_num
_pdbx_vrpt_percentile_entity_view.entity_id
_pdbx_vrpt_percentile_entity_view.auth_asym_id
_pdbx_vrpt_percentile_entity_view.rank
1  3  2  A  1  1  A  100.00  
2  4  2  A  1  1  A  100.00  
3  5  3  A  1  1  A   54.80  
4  6  3  A  1  1  A   60.50  
#
_pdbx_vrpt_summary_entity_geometry.ordinal          1
_pdbx_vrpt_summary_entity_geometry.PDB_model_num    1
_pdbx_vrpt_summary_entity_geometry.entity_id        1
_pdbx_vrpt_summary_entity_geometry.label_asym_id    A
_pdbx_vrpt_summary_entity_geometry.auth_asym_id     A
_pdbx_vrpt_summary_entity_geometry.angles_RMSZ      0.40
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ       0.27
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ   493
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ  667
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  0.00
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       2.04
_pdbx_vrpt_summary_geometry.clashscore                     6.32
_pdbx_vrpt_summary_geometry.num_H_reduce                   460
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 493
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.27
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                667
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.40
#
_pdbx_vrpt_summary_diffraction.exp_method           x-ray
_pdbx_vrpt_summary_diffraction.ordinal              1
_pdbx_vrpt_summary_diffraction.PDB_resolution_high  2.10
_pdbx_vrpt_summary_diffraction.PDB_resolution_low   35.99
_pdbx_vrpt_summary_diffraction.PDB_R                0.21
_pdbx_vrpt_summary_diffraction.PDB_Rfree            0.23
#
loop_
_pdbx_vrpt_model_instance.id
_pdbx_vrpt_model_instance.PDB_model_num
_pdbx_vrpt_model_instance.entity_id
_pdbx_vrpt_model_instance.label_asym_id
_pdbx_vrpt_model_instance.label_seq_id
_pdbx_vrpt_model_instance.label_comp_id
_pdbx_vrpt_model_instance.auth_asym_id
_pdbx_vrpt_model_instance.auth_seq_id
_pdbx_vrpt_model_instance.label_alt_id
_pdbx_vrpt_model_instance.PDB_ins_code
_pdbx_vrpt_model_instance.count_clashes
  1  1  1  A   3  ILE  A    3  .  ?        ?  
  2  1  1  A   4  VAL  A    4  .  ?        ?  
  3  1  1  A   5  GLN  A    5  .  ?        ?  
  4  1  1  A   6  GLN  A    6  .  ?        ?  
  5  1  1  A   7  GLN  A    7  .  ?        ?  
  6  1  1  A   8  ASN  A    8  .  ?        ?  
  7  1  1  A   9  ASN  A    9  .  ?        1  
  8  1  1  A  10  LEU  A   10  .  ?        ?  
  9  1  1  A  11  LEU  A   11  .  ?        2  
 10  1  1  A  12  ARG  A   12  .  ?        1  
 11  1  1  A  13  ALA  A   13  .  ?        1  
 12  1  1  A  14  ILE  A   14  .  ?        ?  
 13  1  1  A  15  GLU  A   15  .  ?        1  
 14  1  1  A  16  ALA  A   16  .  ?        ?  
 15  1  1  A  17  GLN  A   17  .  ?        1  
 16  1  1  A  18  GLN  A   18  .  ?        ?  
 17  1  1  A  19  HIS  A   19  .  ?        ?  
 18  1  1  A  20  LEU  A   20  .  ?        ?  
 19  1  1  A  21  LEU  A   21  .  ?        ?  
 20  1  1  A  22  GLN  A   22  .  ?        ?  
 21  1  1  A  23  LEU  A   23  .  ?        ?  
 22  1  1  A  24  THR  A   24  .  ?        ?  
 23  1  1  A  25  VAL  A   25  .  ?        ?  
 24  1  1  A  26  TRP  A   26  .  ?        ?  
 25  1  1  A  27  ALA  A   27  .  ?        ?  
 26  1  1  A  28  ILE  A   28  .  ?        1  
 27  1  1  A  29  LYS  A   29  .  ?        ?  
 28  1  1  A  30  GLN  A   30  .  ?        ?  
 29  1  1  A  31  LEU  A   31  .  ?        ?  
 30  1  1  A  32  GLN  A   32  .  ?        1  
 31  1  1  A  33  ALA  A   33  .  ?        ?  
 32  1  1  A  34  ARG  A   34  .  ?        ?  
 33  1  1  A  35  SER  A   35  .  ?        ?  
 34  1  1  A  36  GLY  A   36  .  ?        ?  
 35  1  1  A  37  GLY  A   37  .  ?        ?  
 36  1  1  A  38  ARG  A   38  .  ?        ?  
 37  1  1  A  39  GLY  A   39  .  ?        ?  
 38  1  1  A  40  GLY  A   40  .  ?        ?  
 39  1  1  A  41  TRP  A   41  .  ?        ?  
 40  1  1  A  42  MET  A   42  .  ?        ?  
 41  1  1  A  43  GLU  A   43  .  ?        ?  
 42  1  1  A  44  TRP  A   44  .  ?        ?  
 43  1  1  A  45  ASP  A   45  .  ?        ?  
 44  1  1  A  46  ARG  A   46  .  ?        ?  
 45  1  1  A  47  GLU  A   47  .  ?        ?  
 46  1  1  A  48  ILE  A   48  .  ?        ?  
 47  1  1  A  49  ASN  A   49  .  ?        ?  
 48  1  1  A  50  ASN  A   50  .  ?        ?  
 49  1  1  A  51  TYR  A   51  .  ?        ?  
 50  1  1  A  52  THR  A   52  .  ?        ?  
 51  1  1  A  53  SER  A   53  .  ?        ?  
 52  1  1  A  54  LEU  A   54  .  ?        ?  
 53  1  1  A  55  ILE  A   55  .  ?        ?  
 54  1  1  A  56  HIS  A   56  .  ?        ?  
 55  1  1  A  57  SER  A   57  .  ?        ?  
 56  1  1  A  58  LEU  A   58  .  ?        ?  
 57  1  1  A  59  ILE  A   59  .  ?        1  
 58  1  1  A  60  GLU  A   60  .  ?        ?  
 59  1  1  A  61  GLU  A   61  .  ?        ?  
 60  1  1  A  62  SER  A   62  .  ?        ?  
 61  1  1  A  63  GLN  A   63  .  ?        2  
 62  1  2  B   .  SO4  A  201  .  ?        ?  
 63  1  3  C   .  HOH  A  101  .  ?        ?  
 64  1  3  C   .  HOH  A  102  .  ?        ?  
 65  1  3  C   .  HOH  A  103  .  ?        ?  
 66  1  3  C   .  HOH  A  104  .  ?        ?  
 67  1  3  C   .  HOH  A  105  .  ?        ?  
 68  1  3  C   .  HOH  A  106  .  ?        ?  
 69  1  3  C   .  HOH  A  107  .  ?        ?  
 70  1  3  C   .  HOH  A  108  .  ?        ?  
 71  1  3  C   .  HOH  A  109  .  ?        ?  
 72  1  3  C   .  HOH  A  110  .  ?        ?  
 73  1  3  C   .  HOH  A  111  .  ?        ?  
 74  1  3  C   .  HOH  A  112  .  ?        ?  
 75  1  3  C   .  HOH  A  113  .  ?        ?  
 76  1  3  C   .  HOH  A  114  .  ?        ?  
 77  1  3  C   .  HOH  A  115  .  ?        ?  
 78  1  3  C   .  HOH  A  116  .  ?        ?  
 79  1  3  C   .  HOH  A  117  .  ?        ?  
 80  1  3  C   .  HOH  A  118  .  ?        ?  
 81  1  3  C   .  HOH  A  119  .  ?        ?  
 82  1  3  C   .  HOH  A  120  .  ?        ?  
 83  1  3  C   .  HOH  A  121  .  ?        ?  
 84  1  3  C   .  HOH  A  122  .  ?        ?  
 85  1  3  C   .  HOH  A  123  .  ?        ?  
 86  1  3  C   .  HOH  A  124  .  ?        ?  
 87  1  3  C   .  HOH  A  125  .  ?        ?  
 88  1  3  C   .  HOH  A  126  .  ?        ?  
 89  1  3  C   .  HOH  A  127  .  ?        ?  
 90  1  3  C   .  HOH  A  128  .  ?        ?  
 91  1  3  C   .  HOH  A  129  .  ?        ?  
 92  1  3  C   .  HOH  A  130  .  ?        ?  
 93  1  3  C   .  HOH  A  131  .  ?        ?  
 94  1  3  C   .  HOH  A  132  .  ?        ?  
 95  1  3  C   .  HOH  A  133  .  ?        ?  
 96  1  3  C   .  HOH  A  134  .  ?        ?  
 97  1  3  C   .  HOH  A  135  .  ?        ?  
 98  1  3  C   .  HOH  A  136  .  ?        ?  
 99  1  3  C   .  HOH  A  137  .  ?        ?  
100  1  3  C   .  HOH  A  138  .  ?        ?  
#
loop_
_pdbx_vrpt_model_instance_geometry.ordinal
_pdbx_vrpt_model_instance_geometry.instance_id
_pdbx_vrpt_model_instance_geometry.rotamer_class
_pdbx_vrpt_model_instance_geometry.phi
_pdbx_vrpt_model_instance_geometry.psi
_pdbx_vrpt_model_instance_geometry.ramachandran_class
_pdbx_vrpt_model_instance_geometry.flippable_sidechain
_pdbx_vrpt_model_instance_geometry.num_H_reduce
_pdbx_vrpt_model_instance_geometry.num_bonds_RMSZ
_pdbx_vrpt_model_instance_geometry.bonds_RMSZ
_pdbx_vrpt_model_instance_geometry.num_angles_RMSZ
_pdbx_vrpt_model_instance_geometry.angles_RMSZ
_pdbx_vrpt_model_instance_geometry.program_for_bond_angle_geometry
 1   1  ?             ?       ?  ?           ?     1   5  0.74   7  0.61  molprobity  
 2   2  ?         -56.9   -52.9  Favored     ?     1   4  0.19   5  0.30  molprobity  
 3   3  tp60      -58.8   -38.0  Favored     ?     8   9  0.21  12  0.33  molprobity  
 4   4  ?         -62.5   -42.2  Favored     ?     2   5  0.17   7  0.25  molprobity  
 5   5  mt-30     -66.9   -32.3  Favored     ?     8   9  0.20  12  0.37  molprobity  
 6   6  m120      -63.9   -44.2  Favored     1     6   8  0.23  11  0.40  molprobity  
 7   7  m-20      -63.2   -48.7  Favored     ?     6   8  0.18  11  0.29  molprobity  
 8   8  mt        -55.0   -40.1  Favored     ?    11   8  0.19  11  0.44  molprobity  
 9   9  tp        -63.5   -47.6  Favored     ?    11   8  0.24  11  0.32  molprobity  
10  10  mtt85     -60.9   -36.8  Favored     ?    13  11  0.24  14  0.37  molprobity  
11  11  ?         -62.2   -43.8  Favored     ?     5   5  0.36   7  0.59  molprobity  
12  12  mt        -66.6   -38.5  Favored     ?    11   8  0.16  11  0.51  molprobity  
13  13  mt-10     -67.3   -39.3  Favored     ?     6   9  0.17  12  0.23  molprobity  
14  14  ?         -68.6   -38.4  Favored     ?     5   5  0.28   7  0.28  molprobity  
15  15  mt-30     -67.9   -31.7  Favored     ?     8   9  0.29  12  0.34  molprobity  
16  16  tp-100    -66.0   -35.3  Favored     1     8   9  0.33  12  0.40  molprobity  
17  17  m-70      -64.9   -42.2  Favored     ?     7  11  0.17  15  0.38  molprobity  
18  18  mt        -62.3   -45.7  Favored     ?    11   8  0.24  11  0.51  molprobity  
19  19  mt        -55.8   -46.4  Favored     ?    11   8  0.34  11  0.65  molprobity  
20  20  mm-40     -67.5   -28.0  Favored     1     8   9  0.35  12  0.26  molprobity  
21  21  mt        -70.8   -39.2  Favored     ?    11   8  0.19  11  0.51  molprobity  
22  22  p         -69.9   -34.2  Favored     ?     7   7  0.36  10  0.66  molprobity  
23  23  t         -64.9   -45.4  Favored     ?     9   7  0.38  10  0.64  molprobity  
24  24  t90       -60.8   -42.5  Favored     ?    10  16  0.34  23  0.20  molprobity  
25  25  ?         -65.4   -45.3  Favored     ?     5   5  0.19   7  0.29  molprobity  
26  26  mt        -57.0   -43.1  Favored     ?    11   8  0.16  11  0.41  molprobity  
27  27  mttt      -62.4   -40.9  Favored     ?    13   9  0.22  11  0.17  molprobity  
28  28  mm100     -61.4   -44.5  Favored     ?     8   9  0.27  12  0.43  molprobity  
29  29  mt        -61.6   -43.3  Favored     ?    11   8  0.25  11  0.33  molprobity  
30  30  mt-30     -62.7   -50.6  Favored     ?     8   9  0.23  12  0.43  molprobity  
31  31  ?         -52.5   -19.8  Favored     ?     5   5  0.19   7  0.35  molprobity  
32  32  ?         -64.9   -46.7  Favored     ?     2   5  0.16   7  0.26  molprobity  
33  33  p         -67.3   -25.4  Favored     ?     5   6  0.20   8  0.42  molprobity  
34  34  ?         152.4  -149.4  Favored     ?     3   4  0.20   5  0.33  molprobity  
35  35  ?         -65.5   151.1  Favored     ?     3   4  0.20   5  0.29  molprobity  
36  36  mtp-105  -101.4    24.3  Favored     ?    13  11  0.17  14  0.42  molprobity  
37  37  ?         -57.0   -33.2  Favored     ?     3   4  0.20   5  0.47  molprobity  
38  38  ?         -72.9   -10.1  Favored     ?     3   4  0.24   5  0.18  molprobity  
39  39  m95      -102.5    12.9  Favored     ?    10  16  0.35  23  0.29  molprobity  
40  40  OUTLIER   -53.6   -48.3  Favored     ?     9   8  0.17  10  0.46  molprobity  
41  41  tp10      -68.5   -40.8  Favored     ?     6   9  0.36  12  0.32  molprobity  
42  42  t90       -58.9   -45.9  Favored     ?    10  16  0.41  23  0.35  molprobity  
43  43  m-20      -61.1   -38.7  Favored     ?     4   8  0.25  11  0.45  molprobity  
44  44  ttp85     -63.5   -43.0  Favored     ?    13  11  0.17  14  0.28  molprobity  
45  45  mt-10     -66.3   -43.4  Favored     ?     6   9  0.24  12  0.31  molprobity  
46  46  mm        -59.7   -49.5  Favored     ?    11   8  0.20  11  0.55  molprobity  
47  47  m120      -59.4   -42.4  Favored     1     6   8  0.20  11  0.32  molprobity  
48  48  m-20      -67.7   -41.6  Favored     ?     6   8  0.31  11  0.44  molprobity  
49  49  m-85      -70.7   -32.2  Favored     ?     9  13  0.35  18  0.34  molprobity  
50  50  m         -67.4   -35.3  Favored     ?     7   7  0.26  10  0.64  molprobity  
51  51  m         -68.0   -43.8  Favored     ?     5   6  0.21   8  0.30  molprobity  
52  52  mt        -56.9   -46.1  Favored     ?    11   8  0.25  11  0.54  molprobity  
53  53  mt        -64.4   -41.3  Favored     ?    11   8  0.20  11  0.48  molprobity  
54  54  m170      -61.9   -41.4  Favored     ?     7  11  0.12  15  0.31  molprobity  
55  55  m         -61.9   -48.3  Favored     ?     5   6  0.31   8  0.38  molprobity  
56  56  mt        -62.3   -40.3  Favored     ?    11   8  0.18  11  0.39  molprobity  
57  57  mt        -65.4   -43.6  Favored     ?    11   8  0.17  11  0.55  molprobity  
58  58  tp10      -63.5   -41.0  Favored     ?     6   9  0.27  12  0.40  molprobity  
59  59  tt0       -66.6   -40.1  Favored     ?     6   9  0.29  12  0.39  molprobity  
60  60  m         -65.7   -26.5  Favored     ?     5   6  0.30   8  0.23  molprobity  
61  61  mt-30         ?       ?  ?           ?     8   8  0.40   9  0.53  molprobity  
62  62  ?             ?       ?  ?           ?     ?   4  0.27   6  0.08  mogul       
#
loop_
_pdbx_vrpt_instance_clashes.ordinal
_pdbx_vrpt_instance_clashes.instance_id
_pdbx_vrpt_instance_clashes.label_atom_id
_pdbx_vrpt_instance_clashes.cid
_pdbx_vrpt_instance_clashes.clashmag
_pdbx_vrpt_instance_clashes.dist
 1   7  HA    1  0.43  2.34  
 2   9  O     2  0.44  2.18  
 3   9  HD21  3  0.40  2.03  
 4  10  NH1   1  0.43  2.34  
 5  11  O     4  0.49  2.12  
 6  13  HG3   2  0.44  2.18  
 7  15  HG3   4  0.49  2.12  
 8  26  O     5  0.50  2.11  
 9  30  HG3   5  0.50  2.11  
10  57  O     6  0.41  2.20  
11  61  HG3   6  0.41  2.20  
12  61  HG2   3  0.40  2.03  
#
loop_
_pdbx_vrpt_software.ordinal
_pdbx_vrpt_software.name
_pdbx_vrpt_software.version
_pdbx_vrpt_software.success_y_or_n
1  molprobity   4.02b-467                                                             Y  
2  mogul        "1.8.5 (274361), CSD as541be (2020)"                                  Y  
3  percentiles  "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
