data_1PIR

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  1PIR
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   nmr
#
_pdbx_vrpt_summary.entry_id                    1PIR
_pdbx_vrpt_summary.PDB_deposition_date         1994-12-22
_pdbx_vrpt_summary.PDB_revision_number         4
_pdbx_vrpt_summary.PDB_revision_date           2022-02-23
_pdbx_vrpt_summary.report_creation_date        2022-02-17:16:05
_pdbx_vrpt_summary.attempted_validation_steps  mogul,molprobity,validation-pack,coreclust,chemicalshifts,percentiles,writepdf,writexml,writecif
_pdbx_vrpt_summary.ligands_for_buster_report   N
#
loop_
_pdbx_vrpt_entity.id
_pdbx_vrpt_entity.type
_pdbx_vrpt_entity.description
1  polymer      "PHOSPHOLIPASE A2"  
2  non-polymer  "CALCIUM ION"  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  2  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all  pdb    
2  nmr  x-ray  
#
_pdbx_vrpt_percentile_type.id    1
_pdbx_vrpt_percentile_type.type  all_atom_clashscore
#
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   99.94  158937  ?     ?     
2  2  1  100.00   12864  ?     ?     
#
loop_
_pdbx_vrpt_summary_entity_geometry.ordinal
_pdbx_vrpt_summary_entity_geometry.PDB_model_num
_pdbx_vrpt_summary_entity_geometry.entity_id
_pdbx_vrpt_summary_entity_geometry.label_asym_id
_pdbx_vrpt_summary_entity_geometry.auth_asym_id
_pdbx_vrpt_summary_entity_geometry.angles_RMSZ
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ
1  1  1  A  A  2.13  1.49   993  1340  
2  1  2  B  A     ?     ?     ?     ?  
#
_pdbx_vrpt_summary_geometry.ordinal                                    1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers_full_length  13.11
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers_full_length       19.09
_pdbx_vrpt_summary_geometry.clashscore_full_length                     7.53
_pdbx_vrpt_summary_geometry.num_H_reduce                               886
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                             993
_pdbx_vrpt_summary_geometry.bonds_RMSZ                                 1.49
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                            1340
_pdbx_vrpt_summary_geometry.angles_RMSZ                                2.13
#
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_bond_outliers
_pdbx_vrpt_model_instance.count_angle_outliers
_pdbx_vrpt_model_instance.count_clashes
_pdbx_vrpt_model_instance.count_plane_outliers
  1  1  1  A    1  ALA  A    1  .  ?        ?     ?     ?     ?  
  2  1  1  A    2  LEU  A    2  .  ?        ?     ?     ?     ?  
  3  1  1  A    3  TRP  A    3  .  ?        ?     3     ?     ?  
  4  1  1  A    4  GLN  A    4  .  ?        ?     ?     ?     1  
  5  1  1  A    5  PHE  A    5  .  ?        ?     ?     1     ?  
  6  1  1  A    6  ARG  A    6  .  ?        ?     1     2     ?  
  7  1  1  A    7  SER  A    7  .  ?        ?     ?     ?     ?  
  8  1  1  A    8  MET  A    8  .  ?        ?     ?     ?     ?  
  9  1  1  A    9  ILE  A    9  .  ?        ?     1     1     ?  
 10  1  1  A   10  LYS  A   10  .  ?        ?     ?     ?     ?  
 11  1  1  A   11  CYS  A   11  .  ?        ?     ?     ?     ?  
 12  1  1  A   12  ALA  A   12  .  ?        ?     ?     ?     ?  
 13  1  1  A   13  ILE  A   13  .  ?        ?     1     ?     ?  
 14  1  1  A   14  PRO  A   14  .  ?        ?     ?     ?     ?  
 15  1  1  A   15  GLY  A   15  .  ?        ?     ?     ?     ?  
 16  1  1  A   16  SER  A   16  .  ?        ?     ?     ?     ?  
 17  1  1  A   17  HIS  A   17  .  ?        ?     1     ?     ?  
 18  1  1  A   18  PRO  A   18  .  ?        ?     1     1     ?  
 19  1  1  A   19  LEU  A   19  .  ?        ?     ?     4     ?  
 20  1  1  A   20  MET  A   20  .  ?        ?     ?     ?     ?  
 21  1  1  A   21  ASP  A   21  .  ?        1     2     ?     ?  
 22  1  1  A   22  PHE  A   22  .  ?        ?     1     1     ?  
 23  1  1  A   23  ASN  A   23  .  ?        ?     ?     ?     ?  
 24  1  1  A   24  ASN  A   24  .  ?        ?     ?     ?     ?  
 25  1  1  A   25  TYR  A   25  .  ?        ?     1     ?     1  
 26  1  1  A   26  GLY  A   26  .  ?        ?     ?     1     ?  
 27  1  1  A   27  CYS  A   27  .  ?        ?     ?     1     ?  
 28  1  1  A   28  TYR  A   28  .  ?        ?     2     ?     1  
 29  1  1  A   29  CYS  A   29  .  ?        ?     ?     ?     ?  
 30  1  1  A   30  GLY  A   30  .  ?        ?     ?     ?     ?  
 31  1  1  A   31  LEU  A   31  .  ?        ?     ?     ?     ?  
 32  1  1  A   32  GLY  A   32  .  ?        ?     ?     ?     ?  
 33  1  1  A   33  GLY  A   33  .  ?        ?     ?     ?     1  
 34  1  1  A   34  SER  A   34  .  ?        ?     ?     ?     1  
 35  1  1  A   35  GLY  A   35  .  ?        ?     ?     ?     1  
 36  1  1  A   36  THR  A   36  .  ?        ?     ?     1     ?  
 37  1  1  A   37  PRO  A   37  .  ?        ?     ?     ?     ?  
 38  1  1  A   38  VAL  A   38  .  ?        ?     2     1     1  
 39  1  1  A   39  ASP  A   39  .  ?        1     2     ?     ?  
 40  1  1  A   40  GLU  A   40  .  ?        1     ?     ?     ?  
 41  1  1  A   41  LEU  A   41  .  ?        ?     ?     ?     1  
 42  1  1  A   42  ASP  A   42  .  ?        1     2     ?     ?  
 43  1  1  A   43  ARG  A   43  .  ?        ?     1     ?     ?  
 44  1  1  A   44  CYS  A   44  .  ?        ?     ?     1     ?  
 45  1  1  A   45  CYS  A   45  .  ?        ?     ?     ?     ?  
 46  1  1  A   46  GLU  A   46  .  ?        1     ?     ?     ?  
 47  1  1  A   47  THR  A   47  .  ?        ?     ?     ?     ?  
 48  1  1  A   48  HIS  A   48  .  ?        ?     1     ?     ?  
 49  1  1  A   49  ASP  A   49  .  ?        1     2     ?     ?  
 50  1  1  A   50  ASN  A   50  .  ?        ?     ?     ?     ?  
 51  1  1  A   51  CYS  A   51  .  ?        ?     ?     ?     ?  
 52  1  1  A   52  TYR  A   52  .  ?        ?     2     ?     ?  
 53  1  1  A   53  ARG  A   53  .  ?        ?     1     ?     ?  
 54  1  1  A   54  ASP  A   54  .  ?        1     2     ?     ?  
 55  1  1  A   55  ALA  A   55  .  ?        ?     ?     ?     ?  
 56  1  1  A   56  LYS  A   56  .  ?        ?     ?     ?     ?  
 57  1  1  A   57  ASN  A   57  .  ?        ?     ?     ?     1  
 58  1  1  A   58  LEU  A   58  .  ?        ?     ?     1     ?  
 59  1  1  A   59  ASP  A   59  .  ?        1     2     ?     ?  
 60  1  1  A   60  SER  A   60  .  ?        ?     ?     ?     ?  
 61  1  1  A   61  CYS  A   61  .  ?        ?     ?     ?     ?  
 62  1  1  A   62  LYS  A   62  .  ?        ?     ?     ?     ?  
 63  1  1  A   63  PHE  A   63  .  ?        ?     ?     ?     1  
 64  1  1  A   64  LEU  A   64  .  ?        ?     ?     ?     ?  
 65  1  1  A   65  VAL  A   65  .  ?        ?     ?     ?     ?  
 66  1  1  A   66  ASP  A   66  .  ?        1     2     ?     ?  
 67  1  1  A   67  ASN  A   67  .  ?        ?     ?     ?     ?  
 68  1  1  A   68  PRO  A   68  .  ?        ?     ?     ?     ?  
 69  1  1  A   69  TYR  A   69  .  ?        ?     ?     ?     ?  
 70  1  1  A   70  THR  A   70  .  ?        ?     ?     ?     ?  
 71  1  1  A   71  GLU  A   71  .  ?        1     ?     ?     1  
 72  1  1  A   72  SER  A   72  .  ?        ?     1     ?     ?  
 73  1  1  A   73  TYR  A   73  .  ?        ?     ?     ?     ?  
 74  1  1  A   74  SER  A   74  .  ?        ?     ?     ?     ?  
 75  1  1  A   75  TYR  A   75  .  ?        ?     1     ?     1  
 76  1  1  A   76  SER  A   76  .  ?        ?     ?     ?     ?  
 77  1  1  A   77  CYS  A   77  .  ?        ?     3     ?     1  
 78  1  1  A   78  SER  A   78  .  ?        ?     ?     ?     ?  
 79  1  1  A   79  ASN  A   79  .  ?        ?     ?     ?     1  
 80  1  1  A   80  THR  A   80  .  ?        ?     ?     ?     ?  
 81  1  1  A   81  GLU  A   81  .  ?        1     ?     ?     ?  
 82  1  1  A   82  ILE  A   82  .  ?        ?     ?     ?     ?  
 83  1  1  A   83  THR  A   83  .  ?        ?     1     ?     ?  
 84  1  1  A   84  CYS  A   84  .  ?        ?     ?     ?     ?  
 85  1  1  A   85  ASN  A   85  .  ?        ?     ?     ?     1  
 86  1  1  A   86  SER  A   86  .  ?        ?     1     ?     1  
 87  1  1  A   87  LYS  A   87  .  ?        ?     ?     ?     ?  
 88  1  1  A   88  ASN  A   88  .  ?        ?     1     ?     ?  
 89  1  1  A   89  ASN  A   89  .  ?        ?     ?     ?     ?  
 90  1  1  A   90  ALA  A   90  .  ?        ?     ?     ?     ?  
 91  1  1  A   91  CYS  A   91  .  ?        ?     ?     ?     ?  
 92  1  1  A   92  GLU  A   92  .  ?        1     ?     1     ?  
 93  1  1  A   93  ALA  A   93  .  ?        ?     ?     ?     ?  
 94  1  1  A   94  PHE  A   94  .  ?        ?     1     1     1  
 95  1  1  A   95  ILE  A   95  .  ?        ?     ?     ?     ?  
 96  1  1  A   96  CYS  A   96  .  ?        ?     ?     1     ?  
 97  1  1  A   97  ASN  A   97  .  ?        ?     ?     ?     ?  
 98  1  1  A   98  CYS  A   98  .  ?        ?     ?     ?     ?  
 99  1  1  A   99  ASP  A   99  .  ?        1     1     ?     ?  
100  1  1  A  100  ARG  A  100  .  ?        ?     1     1     ?  
101  1  1  A  101  ASN  A  101  .  ?        ?     ?     ?     1  
102  1  1  A  102  ALA  A  102  .  ?        ?     ?     ?     ?  
103  1  1  A  103  ALA  A  103  .  ?        ?     ?     ?     ?  
104  1  1  A  104  ILE  A  104  .  ?        ?     ?     1     ?  
105  1  1  A  105  CYS  A  105  .  ?        ?     ?     1     ?  
106  1  1  A  106  PHE  A  106  .  ?        ?     1     ?     ?  
107  1  1  A  107  SER  A  107  .  ?        ?     ?     ?     ?  
108  1  1  A  108  LYS  A  108  .  ?        ?     ?     ?     ?  
109  1  1  A  109  ALA  A  109  .  ?        ?     1     ?     1  
110  1  1  A  110  PRO  A  110  .  ?        ?     ?     ?     ?  
111  1  1  A  111  TYR  A  111  .  ?        ?     ?     ?     ?  
112  1  1  A  112  ASN  A  112  .  ?        ?     ?     ?     ?  
113  1  1  A  113  LYS  A  113  .  ?        ?     ?     ?     1  
114  1  1  A  114  GLU  A  114  .  ?        1     ?     ?     ?  
115  1  1  A  115  HIS  A  115  .  ?        ?     2     ?     1  
116  1  1  A  116  LYS  A  116  .  ?        ?     1     ?     1  
117  1  1  A  117  ASN  A  117  .  ?        ?     ?     ?     1  
118  1  1  A  118  LEU  A  118  .  ?        ?     1     1     ?  
119  1  1  A  119  ASP  A  119  .  ?        1     3     2     1  
120  1  1  A  120  THR  A  120  .  ?        ?     ?     ?     1  
121  1  1  A  121  LYS  A  121  .  ?        ?     ?     1     ?  
122  1  1  A  122  LYS  A  122  .  ?        ?     ?     2     ?  
123  1  1  A  123  TYR  A  123  .  ?        ?     1     ?     1  
124  1  1  A  124  CYS  A  124  .  ?        1     ?     ?     ?  
125  1  2  B    .  CA   A  125  .  ?        ?     ?     ?     ?  
#
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.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  ?             ?       ?  ?         7   5  0.84   7  1.31  molprobity  
  2    2  OUTLIER   -65.7    89.5  Allowed  11   8  0.66  11  0.87  molprobity  
  3    3  p-90     -146.2   -36.0  Allowed  10  16  1.39  23  3.32  molprobity  
  4    4  tp60      -69.8    -4.0  Favored   8   9  1.09  12  1.05  molprobity  
  5    5  t80       -55.1   -40.5  Favored   9  12  1.14  16  2.13  molprobity  
  6    6  mpp_?     -64.4   -51.2  Favored  13  11  1.33  14  2.51  molprobity  
  7    7  t         -38.5   -48.4  Allowed   5   6  1.08   8  1.10  molprobity  
  8    8  ttt       -53.1   -63.0  Allowed   9   8  0.53  10  1.26  molprobity  
  9    9  OUTLIER   -72.5   -12.7  Favored  11   8  1.06  11  2.39  molprobity  
 10   10  mmmm      -66.3   -59.4  Favored  13   9  1.20  11  2.37  molprobity  
 11   11  m         -28.2   -61.2  Allowed   4   6  1.07   8  1.84  molprobity  
 12   12  ?         -81.2    -7.9  Favored   5   5  0.81   7  1.86  molprobity  
 13   13  mt       -121.7    81.0  Favored  11   8  1.09  12  1.65  molprobity  
 14   14  Cg_exo    -54.0   103.0  OUTLIER   7   8  1.12  11  1.27  molprobity  
 15   15  ?         108.6   -80.0  Allowed   3   4  1.28   5  0.57  molprobity  
 16   16  m         -68.2   141.7  Favored   5   6  1.44   8  1.49  molprobity  
 17   17  m80       -76.4   119.7  Favored   7  11  1.46  16  2.38  molprobity  
 18   18  OUTLIER   -27.5  -176.5  OUTLIER   7   8  0.94  11  2.45  molprobity  
 19   19  OUTLIER    -8.4   -43.3  OUTLIER  11   8  0.97  11  2.08  molprobity  
 20   20  mtm       -62.2   -52.7  Favored   9   8  1.03  10  1.17  molprobity  
 21   21  m-20      -71.1   -51.3  Favored   4   8  2.20  11  3.24  molprobity  
 22   22  m-30      -67.6   -54.2  Favored   9  12  1.44  16  2.34  molprobity  
 23   23  t30       -58.8   -34.6  Favored   6   8  1.14  11  1.08  molprobity  
 24   24  m-80      -59.8   -40.1  Favored   6   8  1.14  11  0.86  molprobity  
 25   25  OUTLIER   -69.6   164.9  Favored   9  13  0.81  18  2.23  molprobity  
 26   26  ?          67.8   164.6  Favored   3   4  1.25   5  0.63  molprobity  
 27   27  p         -80.0   -31.4  Favored   4   6  1.29   8  1.30  molprobity  
 28   28  p90      -135.8    68.5  Allowed   9  13  1.08  18  3.25  molprobity  
 29   29  t        -117.4    19.7  Favored   4   6  1.23   8  1.46  molprobity  
 30   30  ?         -84.9  -131.2  Favored   3   4  1.41   5  0.55  molprobity  
 31   31  mt       -117.8   121.6  Favored  11   8  1.18  11  0.80  molprobity  
 32   32  ?          95.8  -101.4  Favored   3   4  1.18   5  0.62  molprobity  
 33   33  ?          90.2   -26.2  Favored   3   4  1.38   5  1.65  molprobity  
 34   34  p         -61.6   101.0  Allowed   5   6  1.16   8  1.20  molprobity  
 35   35  ?         -88.2  -106.6  Allowed   3   4  1.22   5  1.20  molprobity  
 36   36  OUTLIER  -124.1  -152.8  OUTLIER   7   7  1.04  11  1.74  molprobity  
 37   37  Cg_exo    -73.2  -130.4  OUTLIER   7   8  0.98  11  1.54  molprobity  
 38   38  m        -160.6   -79.9  OUTLIER   9   7  1.07  10  3.73  molprobity  
 39   39  t0       -101.1   160.5  Favored   4   8  2.13  11  3.26  molprobity  
 40   40  pm0       -60.7     9.2  OUTLIER   6   9  3.88  12  2.25  molprobity  
 41   41  tp        -89.6    -9.2  Favored  11   8  0.86  11  2.41  molprobity  
 42   42  OUTLIER   -70.9   -24.6  Favored   4   8  2.04  11  3.19  molprobity  
 43   43  OUTLIER   -67.7   -21.7  Favored  13  11  1.02  14  2.90  molprobity  
 44   44  m         -81.1   -25.0  Favored   4   6  0.97   8  1.41  molprobity  
 45   45  t         -63.6   -40.7  Favored   4   6  0.91   8  1.47  molprobity  
 46   46  tp10      -42.6   -57.4  Favored   6   9  3.88  12  1.46  molprobity  
 47   47  m         -69.2   -47.1  Favored   7   7  1.05  10  1.04  molprobity  
 48   48  OUTLIER   -63.0   -36.1  Favored   7  11  1.47  15  2.71  molprobity  
 49   49  p30       -72.0   -33.8  Favored   4   8  2.10  11  3.18  molprobity  
 50   50  t30       -81.3   -16.6  Favored   6   8  1.18  11  1.53  molprobity  
 51   51  t         -78.3   -42.5  Favored   4   6  1.03   8  1.16  molprobity  
 52   52  m-30      -57.5   -29.6  Favored   9  13  1.41  18  5.37  molprobity  
 53   53  mmt180    -56.6   -50.2  Favored  13  11  1.09  14  2.45  molprobity  
 54   54  m-20      -66.9   -21.5  Favored   4   8  2.13  11  2.75  molprobity  
 55   55  ?         -67.5   -40.5  Favored   5   5  0.82   7  1.39  molprobity  
 56   56  pttt      -57.0   -32.1  Favored  13   9  1.16  11  1.21  molprobity  
 57   57  t30       -69.3   -12.2  Favored   6   8  1.12  11  1.79  molprobity  
 58   58  tp        -82.9   113.4  Favored  11   8  0.67  11  0.96  molprobity  
 59   59  m-20      -60.0   -28.9  Favored   4   8  2.18  11  2.86  molprobity  
 60   60  m         -67.6   -63.9  Allowed   5   6  1.12   8  1.03  molprobity  
 61   61  m        -117.7   101.2  Favored   4   6  0.85   8  1.24  molprobity  
 62   62  tptm      -96.6   146.7  Favored  13   9  0.73  11  1.35  molprobity  
 63   63  m-85      -89.6    51.6  Favored   9  12  1.26  16  1.90  molprobity  
 64   64  pp        -68.7   -20.5  Favored  11   8  1.12  11  1.35  molprobity  
 65   65  m         -74.6    91.3  Allowed   9   7  1.32  10  2.11  molprobity  
 66   66  t70       -61.9   -46.9  Favored   4   8  2.10  11  2.85  molprobity  
 67   67  m-20     -151.7    88.7  Favored   6   8  1.17  12  1.12  molprobity  
 68   68  Cg_endo   -92.1    59.7  Allowed   7   8  1.01  11  1.12  molprobity  
 69   69  m-85      -87.3   -12.7  Favored   9  13  0.88  18  1.09  molprobity  
 70   70  OUTLIER  -156.1   -18.5  Allowed   7   7  0.90  10  1.47  molprobity  
 71   71  mt-10     -83.4    79.3  Favored   6   9  3.83  12  1.55  molprobity  
 72   72  p         158.2   -66.5  OUTLIER   5   6  1.43   8  1.94  molprobity  
 73   73  p90      -125.5   160.3  Favored   9  13  1.10  18  1.19  molprobity  
 74   74  t        -134.8  -158.7  Allowed   5   6  0.96   8  1.64  molprobity  
 75   75  p90      -146.2   171.2  Favored   9  13  1.12  18  2.32  molprobity  
 76   76  m        -112.4   159.7  Favored   5   6  0.77   8  2.02  molprobity  
 77   77  OUTLIER  -119.2  -159.0  Allowed   4   6  1.18   8  3.52  molprobity  
 78   78  t        -171.4    17.1  OUTLIER   5   6  1.26   8  1.50  molprobity  
 79   79  t-20      -68.6   -91.7  OUTLIER   6   8  0.88  11  1.34  molprobity  
 80   80  p         -71.0   -55.3  Favored   7   7  1.13  10  1.46  molprobity  
 81   81  tp10       17.5    50.3  OUTLIER   6   9  3.83  12  2.23  molprobity  
 82   82  mt        -80.7   138.7  Favored  11   8  0.72  11  1.95  molprobity  
 83   83  t        -138.5   -97.8  Allowed   7   7  0.73  10  2.68  molprobity  
 84   84  OUTLIER  -170.5   170.0  Favored   4   6  1.00   8  1.19  molprobity  
 85   85  t-20      -58.9   124.1  Favored   6   8  0.75  11  1.29  molprobity  
 86   86  t         -86.3   -18.5  Favored   5   6  1.01   8  2.62  molprobity  
 87   87  pttt      -37.7   -21.8  OUTLIER  13   9  1.26  11  1.90  molprobity  
 88   88  t30        -1.0   117.2  OUTLIER   6   8  1.07  11  2.50  molprobity  
 89   89  t-20      -90.4  -137.9  Allowed   6   8  1.25  11  1.76  molprobity  
 90   90  ?         -94.3   -66.2  Allowed   5   5  1.09   7  0.70  molprobity  
 91   91  p         -91.1   -34.6  Favored   4   6  0.87   8  0.94  molprobity  
 92   92  mt-10     -49.6   -46.4  Favored   6   9  3.83  12  1.42  molprobity  
 93   93  ?         -57.6   -54.1  Favored   5   5  0.76   7  1.46  molprobity  
 94   94  t80       -55.7   -55.6  Favored   9  12  1.01  16  1.80  molprobity  
 95   95  mm        -69.5   -36.8  Favored  11   8  1.07  11  1.63  molprobity  
 96   96  p         -65.2   -28.3  Favored   4   6  1.10   8  1.25  molprobity  
 97   97  m-80      -72.8   -23.8  Favored   6   8  1.18  11  1.26  molprobity  
 98   98  m         -75.3   -56.0  Favored   4   6  0.76   8  1.06  molprobity  
 99   99  OUTLIER   -58.9   -12.9  Favored   4   8  2.09  11  2.88  molprobity  
100  100  ptt180    -71.0   -58.8  Favored  13  11  0.89  14  2.73  molprobity  
101  101  t-20      -60.1   -45.5  Favored   6   8  0.89  11  1.10  molprobity  
102  102  ?         -20.8   -69.4  OUTLIER   5   5  1.22   7  2.11  molprobity  
103  103  ?         -67.0   -58.7  Favored   5   5  0.35   7  2.13  molprobity  
104  104  mt        -42.2   -51.0  Allowed  11   8  0.76  11  1.65  molprobity  
105  105  t         -81.8   -21.5  Favored   4   6  0.59   8  1.37  molprobity  
106  106  OUTLIER   -62.0   -19.8  Favored   9  12  1.05  16  2.21  molprobity  
107  107  t         -88.0   -30.4  Favored   5   6  1.20   8  1.50  molprobity  
108  108  mttt      -69.6   -46.8  Favored  13   9  1.31  11  1.50  molprobity  
109  109  ?         -78.4   141.0  Favored   5   5  1.55   8  2.10  molprobity  
110  110  Cg_exo    -33.9   115.7  OUTLIER   7   8  1.21  11  1.74  molprobity  
111  111  OUTLIER   -85.5   153.8  Favored   9  13  1.23  18  1.51  molprobity  
112  112  OUTLIER   -88.8   101.5  Favored   6   8  1.36  11  2.00  molprobity  
113  113  OUTLIER   -84.5     5.9  Favored  13   9  1.21  11  2.49  molprobity  
114  114  pt-20    -153.1   -64.8  Allowed   6   9  3.91  12  1.89  molprobity  
115  115  OUTLIER   -70.8    12.1  Allowed   7  11  1.09  15  2.76  molprobity  
116  116  tttt      -69.5   -18.6  Favored  13   9  0.79  11  2.42  molprobity  
117  117  t30      -144.5    98.0  Favored   6   8  0.98  11  1.24  molprobity  
118  118  OUTLIER   -81.2   167.7  Favored  11   8  1.06  11  3.77  molprobity  
119  119  m-20      -75.3   -39.3  Favored   4   8  2.24  11  4.32  molprobity  
120  120  t         -49.7    76.8  OUTLIER   7   7  0.86  10  1.85  molprobity  
121  121  OUTLIER   -90.6    26.5  Allowed  13   9  0.82  11  2.10  molprobity  
122  122  OUTLIER  -135.7   -72.4  Allowed  13   9  0.49  11  1.41  molprobity  
123  123  m-85      -93.2     6.1  Favored   9  13  1.18  18  1.93  molprobity  
124  124  t             ?       ?  ?         4   6  3.15   5  1.11  molprobity  
#
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    5  CZ     1  0.47  2.45  
 2    6  CG     2  0.45  2.42  
 3    6  HG3    3  0.43  1.90  
 4    9  HD11   1  0.47  2.45  
 5   18  HA     4  0.54  2.37  
 6   19  HD21   2  0.45  2.42  
 7   19  HD21   3  0.43  1.90  
 8   19  HD13   5  0.43  1.73  
 9   19  H      5  0.43  1.73  
10   22  CD2    4  0.54  2.37  
11   26  HA2    6  0.44  1.89  
12   27  SG     7  0.54  2.65  
13   36  O      7  0.54  2.65  
14   38  HG21   6  0.44  1.89  
15   44  SG     8  0.51  2.68  
16   58  HD13   9  0.47  2.43  
17   92  O     10  0.44  2.75  
18   94  CE2    9  0.47  2.43  
19   96  SG    10  0.44  2.75  
20  100  O     11  0.46  2.09  
21  104  HD12  11  0.46  2.09  
22  105  O      8  0.51  2.68  
23  118  HD12  12  0.71  1.59  
24  119  HB2   12  0.71  1.59  
25  119  HB3   13  0.52  2.34  
26  121  CE    14  0.41  2.45  
27  122  CE    13  0.52  2.34  
28  122  HD2   14  0.41  2.45  
#
loop_
_pdbx_vrpt_instance_intra_plane_outliers.ordinal
_pdbx_vrpt_instance_intra_plane_outliers.instance_id
_pdbx_vrpt_instance_intra_plane_outliers.type
_pdbx_vrpt_instance_intra_plane_outliers.omega
_pdbx_vrpt_instance_intra_plane_outliers.plane_rmsd
 1    4  peptide     149.05     ?  
 2   25  sidechain        ?  0.15  
 3   28  sidechain        ?  0.14  
 4   33  peptide    -146.40     ?  
 5   34  peptide     143.57     ?  
 6   35  peptide     138.96     ?  
 7   38  peptide     141.85     ?  
 8   41  peptide     136.97     ?  
 9   57  peptide    -136.31     ?  
10   63  peptide     114.86     ?  
11   71  peptide    -146.48     ?  
12   75  sidechain        ?  0.18  
13   77  peptide      31.78     ?  
14   79  peptide     102.43     ?  
15   85  peptide    -140.18     ?  
16   86  peptide     140.98     ?  
17   94  sidechain        ?  0.08  
18  101  peptide     145.60     ?  
19  109  peptide     140.10     ?  
20  113  peptide    -127.65     ?  
21  115  sidechain        ?  0.09  
22  116  peptide     144.31     ?  
23  117  peptide    -146.90     ?  
24  119  peptide    -133.80     ?  
25  120  peptide     123.21     ?  
26  123  sidechain        ?  0.11  
#
loop_
_pdbx_vrpt_instance_intra_bond_outliers.ordinal
_pdbx_vrpt_instance_intra_bond_outliers.instance_id
_pdbx_vrpt_instance_intra_bond_outliers.atom_1
_pdbx_vrpt_instance_intra_bond_outliers.atom_2
_pdbx_vrpt_instance_intra_bond_outliers.obs
_pdbx_vrpt_instance_intra_bond_outliers.mean
_pdbx_vrpt_instance_intra_bond_outliers.stdev
_pdbx_vrpt_instance_intra_bond_outliers.Z
 1   21  CG  OD2  1.372  1.249  0.023   5.34  
 2   39  CG  OD2  1.371  1.249  0.023   5.29  
 3   40  CD  OE1  1.372  1.252  0.011  10.89  
 4   42  CG  OD1  1.365  1.249  0.023   5.03  
 5   46  CD  OE1  1.370  1.252  0.011  10.77  
 6   49  CG  OD2  1.370  1.249  0.023   5.25  
 7   54  CG  OD2  1.371  1.249  0.023   5.31  
 8   59  CG  OD2  1.372  1.249  0.023   5.34  
 9   66  CG  OD2  1.371  1.249  0.023   5.32  
10   71  CD  OE1  1.372  1.252  0.011  10.87  
11   81  CD  OE1  1.371  1.252  0.011  10.83  
12   92  CD  OE2  1.371  1.252  0.011  10.85  
13   99  CG  OD2  1.369  1.249  0.023   5.21  
14  114  CD  OE2  1.372  1.252  0.011  10.92  
15  119  CG  OD2  1.372  1.249  0.023   5.34  
16  124  C   OXT  1.372  1.229  0.019   7.53  
#
loop_
_pdbx_vrpt_instance_intra_angle_outliers.ordinal
_pdbx_vrpt_instance_intra_angle_outliers.instance_id
_pdbx_vrpt_instance_intra_angle_outliers.atom_1
_pdbx_vrpt_instance_intra_angle_outliers.atom_2
_pdbx_vrpt_instance_intra_angle_outliers.atom_3
_pdbx_vrpt_instance_intra_angle_outliers.obs
_pdbx_vrpt_instance_intra_angle_outliers.mean
_pdbx_vrpt_instance_intra_angle_outliers.stdev
_pdbx_vrpt_instance_intra_angle_outliers.Z
_pdbx_vrpt_instance_intra_angle_outliers.link
 1    3  CB   CG   CD1  116.355  127.000  1.300   -8.19  ?     
 2    3  CB   CG   CD2  136.686  126.600  1.300    7.76  ?     
 3    3  CD1  NE1  CE2  103.525  109.000  0.900   -6.08  ?     
 4    6  NE   CZ   NH1  123.938  120.300  0.500    7.28  ?     
 5    9  CA   CB   CG1  122.615  111.000  1.900    6.11  ?     
 6   13  CB   CA   C    121.862  111.600  2.000    5.13  ?     
 7   17  CG   ND1  CE1   98.771  105.700  1.300   -5.33  ?     
 8   18  N    CA   C    125.925  112.100  2.600    5.32  ?     
 9   21  CB   CG   OD1  124.506  118.300  0.900    6.89  ?     
10   21  CB   CG   OD2  111.528  118.300  0.900   -7.52  ?     
11   22  CB   CG   CD1  124.661  120.800  0.700    5.52  ?     
12   25  CA   CB   CG   127.317  113.400  1.900    7.33  ?     
13   28  CB   CG   CD1  124.483  121.000  0.600    5.80  ?     
14   28  CB   CG   CD2  115.197  121.000  0.600   -9.67  ?     
15   38  CA   CB   CG1  118.986  110.900  1.500    5.39  ?     
16   38  CG1  CB   CG2  100.636  110.900  1.600   -6.42  ?     
17   39  CB   CG   OD1  124.380  118.300  0.900    6.75  ?     
18   39  CB   CG   OD2  111.471  118.300  0.900   -7.59  ?     
19   42  CB   CG   OD1  111.568  118.300  0.900   -7.48  ?     
20   42  CB   CG   OD2  124.027  118.300  0.900    6.36  ?     
21   43  NE   CZ   NH1  124.045  120.300  0.500    7.49  ?     
22   48  CG   ND1  CE1   98.636  105.700  1.300   -5.43  ?     
23   49  CB   CG   OD1  124.206  118.300  0.900    6.56  ?     
24   49  CB   CG   OD2  112.059  118.300  0.900   -6.93  ?     
25   52  CB   CG   CD1  129.621  121.000  0.600   14.37  ?     
26   52  CB   CG   CD2  110.987  121.000  0.600  -16.69  ?     
27   53  NE   CZ   NH1  123.972  120.300  0.500    7.34  ?     
28   54  CB   CG   OD1  123.410  118.300  0.900    5.68  ?     
29   54  CB   CG   OD2  112.291  118.300  0.900   -6.68  ?     
30   59  CB   CG   OD1  123.387  118.300  0.900    5.65  ?     
31   59  CB   CG   OD2  112.281  118.300  0.900   -6.69  ?     
32   66  CB   CG   OD1  123.392  118.300  0.900    5.66  ?     
33   66  CB   CG   OD2  112.252  118.300  0.900   -6.72  ?     
34   72  N    CA   CB   118.121  110.500  1.500    5.08  ?     
35   75  CB   CG   CD1  117.130  121.000  0.600   -6.45  ?     
36   77  CA   C    N    128.699  117.200  2.200    5.23  Y     
37   77  O    C    N    112.903  122.700  1.600   -6.12  Y     
38   77  CB   CA   C    120.447  110.400  2.000    5.02  ?     
39   83  CA   CB   CG2  121.442  112.400  1.400    6.46  ?     
40   86  N    CA   CB   101.083  110.500  1.500   -6.28  ?     
41   88  N    CA   CB    99.087  110.600  1.800   -6.40  ?     
42   94  CB   CG   CD2  117.133  120.800  0.700   -5.24  ?     
43   99  CB   CG   OD2  112.549  118.300  0.900   -6.39  ?     
44  100  NE   CZ   NH1  124.030  120.300  0.500    7.46  ?     
45  106  CB   CA   C    120.406  110.400  2.000    5.00  ?     
46  109  N    CA   CB   117.181  110.100  1.400    5.06  ?     
47  115  CG   ND1  CE1   98.208  105.700  1.300   -5.76  ?     
48  115  ND1  CE1  NE2  122.231  109.900  2.200    5.61  ?     
49  116  CB   CA   C    122.921  110.400  2.000    6.26  ?     
50  118  CA   C    N    103.350  117.200  2.200   -6.30  Y     
51  119  CB   CG   OD1  123.741  118.300  0.900    6.04  ?     
52  119  CB   CG   OD2  112.077  118.300  0.900   -6.91  ?     
53  119  N    CA   CB    92.600  110.600  1.800  -10.00  ?     
54  123  CB   CA   C    124.403  110.400  2.000    7.00  ?     
#
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        unknown                                                               Y  
3  percentiles  "20191225.v01 (using entries in the PDB archive December 25th 2019)"  N  
##
