data_2MJ5

loop_
_pdbx_vrpt_database.id
_pdbx_vrpt_database.code
PDB   2MJ5   
BMRB  19606  
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   nmr
#
_pdbx_vrpt_summary.entry_id                    2MJ5
_pdbx_vrpt_summary.PDB_deposition_date         2013-12-25
_pdbx_vrpt_summary.PDB_revision_number         4
_pdbx_vrpt_summary.PDB_revision_date           2023-06-14
_pdbx_vrpt_summary.report_creation_date        2023-06-06:06:01
_pdbx_vrpt_summary.attempted_validation_steps  molprobity,validation-pack,coreclust,chemicalshiftanalysis,restraintsanalysis,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  Polyubiquitin-C  
2  polymer  "Next to BRCA1 gene 1 protein"  
#
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  
#
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  95.02  158937  ?     ?     
2  2  1  83.27   12864  ?     ?     
3  1  2  23.52  154571  ?     ?     
4  2  2  70.74   11451  ?     ?     
5  1  3   8.96  154315  ?     ?     
6  2  3  52.43   11428  ?     ?     
#
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   13.45  
4  6  3  A  1  1  A   13.45  
5  3  2  B  1  2  B    7.15  
6  4  2  B  1  2  B    7.15  
7  5  3  B  1  2  B    1.66  
8  6  3  B  1  2  B    1.66  
#
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  0.39  0.28  608  816  
2  1  2  B  B  0.33  0.27  419  563  
#
_pdbx_vrpt_summary_geometry.ordinal                                    1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers              0.81
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers_full_length  0.81
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers                   11.40
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers_full_length       11.40
_pdbx_vrpt_summary_geometry.clashscore                                 0.97
_pdbx_vrpt_summary_geometry.clashscore_full_length                     0.97
_pdbx_vrpt_summary_geometry.num_H_reduce                               1046
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                             1027
_pdbx_vrpt_summary_geometry.bonds_RMSZ                                 0.28
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                            1379
_pdbx_vrpt_summary_geometry.angles_RMSZ                                0.37
#
_pdbx_vrpt_summary_nmr.exp_method                               nmr
_pdbx_vrpt_summary_nmr.ordinal                                  1
_pdbx_vrpt_summary_nmr.chemical_shift_completeness              32.15
_pdbx_vrpt_summary_nmr.chemical_shift_completeness_full_length  32.15
#
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   1  MET  A    1  .  ?        ?  
  2  1  1  A   2  GLN  A    2  .  ?        1  
  3  1  1  A   3  ILE  A    3  .  ?        ?  
  4  1  1  A   4  PHE  A    4  .  ?        ?  
  5  1  1  A   5  VAL  A    5  .  ?        ?  
  6  1  1  A   6  LYS  A    6  .  ?        ?  
  7  1  1  A   7  THR  A    7  .  ?        ?  
  8  1  1  A   8  LEU  A    8  .  ?        ?  
  9  1  1  A   9  THR  A    9  .  ?        ?  
 10  1  1  A  10  GLY  A   10  .  ?        ?  
 11  1  1  A  11  LYS  A   11  .  ?        ?  
 12  1  1  A  12  THR  A   12  .  ?        ?  
 13  1  1  A  13  ILE  A   13  .  ?        ?  
 14  1  1  A  14  THR  A   14  .  ?        ?  
 15  1  1  A  15  LEU  A   15  .  ?        1  
 16  1  1  A  16  GLU  A   16  .  ?        ?  
 17  1  1  A  17  VAL  A   17  .  ?        ?  
 18  1  1  A  18  GLU  A   18  .  ?        ?  
 19  1  1  A  19  PRO  A   19  .  ?        ?  
 20  1  1  A  20  SER  A   20  .  ?        ?  
 21  1  1  A  21  ASP  A   21  .  ?        ?  
 22  1  1  A  22  THR  A   22  .  ?        ?  
 23  1  1  A  23  ILE  A   23  .  ?        ?  
 24  1  1  A  24  GLU  A   24  .  ?        ?  
 25  1  1  A  25  ASN  A   25  .  ?        ?  
 26  1  1  A  26  VAL  A   26  .  ?        ?  
 27  1  1  A  27  LYS  A   27  .  ?        ?  
 28  1  1  A  28  ALA  A   28  .  ?        ?  
 29  1  1  A  29  LYS  A   29  .  ?        ?  
 30  1  1  A  30  ILE  A   30  .  ?        ?  
 31  1  1  A  31  GLN  A   31  .  ?        ?  
 32  1  1  A  32  ASP  A   32  .  ?        ?  
 33  1  1  A  33  LYS  A   33  .  ?        ?  
 34  1  1  A  34  GLU  A   34  .  ?        ?  
 35  1  1  A  35  GLY  A   35  .  ?        ?  
 36  1  1  A  36  ILE  A   36  .  ?        ?  
 37  1  1  A  37  PRO  A   37  .  ?        ?  
 38  1  1  A  38  PRO  A   38  .  ?        ?  
 39  1  1  A  39  ASP  A   39  .  ?        ?  
 40  1  1  A  40  GLN  A   40  .  ?        ?  
 41  1  1  A  41  GLN  A   41  .  ?        ?  
 42  1  1  A  42  ARG  A   42  .  ?        ?  
 43  1  1  A  43  LEU  A   43  .  ?        ?  
 44  1  1  A  44  ILE  A   44  .  ?        ?  
 45  1  1  A  45  PHE  A   45  .  ?        ?  
 46  1  1  A  46  ALA  A   46  .  ?        ?  
 47  1  1  A  47  GLY  A   47  .  ?        ?  
 48  1  1  A  48  LYS  A   48  .  ?        ?  
 49  1  1  A  49  GLN  A   49  .  ?        ?  
 50  1  1  A  50  LEU  A   50  .  ?        ?  
 51  1  1  A  51  GLU  A   51  .  ?        ?  
 52  1  1  A  52  ASP  A   52  .  ?        ?  
 53  1  1  A  53  GLY  A   53  .  ?        ?  
 54  1  1  A  54  ARG  A   54  .  ?        ?  
 55  1  1  A  55  THR  A   55  .  ?        ?  
 56  1  1  A  56  LEU  A   56  .  ?        ?  
 57  1  1  A  57  SER  A   57  .  ?        ?  
 58  1  1  A  58  ASP  A   58  .  ?        ?  
 59  1  1  A  59  TYR  A   59  .  ?        ?  
 60  1  1  A  60  ASN  A   60  .  ?        ?  
 61  1  1  A  61  ILE  A   61  .  ?        ?  
 62  1  1  A  62  GLN  A   62  .  ?        ?  
 63  1  1  A  63  LYS  A   63  .  ?        ?  
 64  1  1  A  64  GLU  A   64  .  ?        ?  
 65  1  1  A  65  SER  A   65  .  ?        ?  
 66  1  1  A  66  THR  A   66  .  ?        ?  
 67  1  1  A  67  LEU  A   67  .  ?        ?  
 68  1  1  A  68  HIS  A   68  .  ?        ?  
 69  1  1  A  69  LEU  A   69  .  ?        ?  
 70  1  1  A  70  VAL  A   70  .  ?        ?  
 71  1  1  A  71  LEU  A   71  .  ?        ?  
 72  1  1  A  72  ARG  A   72  .  ?        ?  
 73  1  1  A  73  LEU  A   73  .  ?        ?  
 74  1  1  A  74  ARG  A   74  .  ?        ?  
 75  1  1  A  75  GLY  A   75  .  ?        ?  
 76  1  1  A  76  GLY  A   76  .  ?        ?  
 77  1  2  B   1  GLY  B    1  .  ?        ?  
 78  1  2  B   2  PRO  B    2  .  ?        ?  
 79  1  2  B   3  LEU  B    3  .  ?        ?  
 80  1  2  B   4  GLY  B    4  .  ?        ?  
 81  1  2  B   5  SER  B    5  .  ?        ?  
 82  1  2  B   6  SER  B  913  .  ?        ?  
 83  1  2  B   7  GLU  B  914  .  ?        ?  
 84  1  2  B   8  ASP  B  915  .  ?        ?  
 85  1  2  B   9  GLN  B  916  .  ?        ?  
 86  1  2  B  10  THR  B  917  .  ?        ?  
 87  1  2  B  11  ALA  B  918  .  ?        ?  
 88  1  2  B  12  ALA  B  919  .  ?        ?  
 89  1  2  B  13  LEU  B  920  .  ?        ?  
 90  1  2  B  14  MET  B  921  .  ?        ?  
 91  1  2  B  15  ALA  B  922  .  ?        ?  
 92  1  2  B  16  HIS  B  923  .  ?        ?  
 93  1  2  B  17  LEU  B  924  .  ?        ?  
 94  1  2  B  18  PHE  B  925  .  ?        ?  
 95  1  2  B  19  GLU  B  926  .  ?        ?  
 96  1  2  B  20  MET  B  927  .  ?        ?  
 97  1  2  B  21  GLY  B  928  .  ?        ?  
 98  1  2  B  22  PHE  B  929  .  ?        ?  
 99  1  2  B  23  CYS  B  930  .  ?        ?  
100  1  2  B  24  ASP  B  931  .  ?        ?  
101  1  2  B  25  ARG  B  932  .  ?        ?  
102  1  2  B  26  GLN  B  933  .  ?        ?  
103  1  2  B  27  LEU  B  934  .  ?        ?  
104  1  2  B  28  ASN  B  935  .  ?        ?  
105  1  2  B  29  LEU  B  936  .  ?        ?  
106  1  2  B  30  ARG  B  937  .  ?        ?  
107  1  2  B  31  LEU  B  938  .  ?        ?  
108  1  2  B  32  LEU  B  939  .  ?        ?  
109  1  2  B  33  LYS  B  940  .  ?        ?  
110  1  2  B  34  LYS  B  941  .  ?        ?  
111  1  2  B  35  HIS  B  942  .  ?        ?  
112  1  2  B  36  ASN  B  943  .  ?        ?  
113  1  2  B  37  TYR  B  944  .  ?        ?  
114  1  2  B  38  ASN  B  945  .  ?        ?  
115  1  2  B  39  ILE  B  946  .  ?        ?  
116  1  2  B  40  LEU  B  947  .  ?        ?  
117  1  2  B  41  GLN  B  948  .  ?        ?  
118  1  2  B  42  VAL  B  949  .  ?        ?  
119  1  2  B  43  VAL  B  950  .  ?        ?  
120  1  2  B  44  THR  B  951  .  ?        ?  
121  1  2  B  45  GLU  B  952  .  ?        ?  
122  1  2  B  46  LEU  B  953  .  ?        ?  
123  1  2  B  47  LEU  B  954  .  ?        1  
124  1  2  B  48  GLN  B  955  .  ?        ?  
125  1  2  B  49  LEU  B  956  .  ?        ?  
126  1  2  B  50  ASN  B  957  .  ?        ?  
127  1  2  B  51  ASN  B  958  .  ?        1  
128  1  2  B  52  ASN  B  959  .  ?        ?  
#
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  ptt?          ?       ?  ?        11   8  0.44  10  0.36  molprobity  
  2    2  mt-30     -80.6   137.3  Favored   8   9  0.28  12  0.46  molprobity  
  3    3  pt       -129.5   165.8  Favored  11   8  0.24  11  0.56  molprobity  
  4    4  m-85     -119.2   141.2  Favored   9  12  0.37  16  0.27  molprobity  
  5    5  t        -116.5   119.8  Favored   9   7  0.24  10  0.41  molprobity  
  6    6  tttt      -98.3   125.6  Favored  13   9  0.29  11  0.24  molprobity  
  7    7  OUTLIER  -102.0   160.3  Favored   7   7  0.24  10  0.46  molprobity  
  8    8  mt        -63.1   -21.0  Favored  11   8  0.24  11  0.28  molprobity  
  9    9  OUTLIER   -80.3    -0.9  Favored   7   7  0.23  10  0.53  molprobity  
 10   10  ?          82.2    32.6  Favored   3   4  0.38   5  0.33  molprobity  
 11   11  ttpt     -113.8   137.2  Favored  13   9  0.29  11  0.25  molprobity  
 12   12  m        -113.6   107.2  Favored   7   7  0.32  10  0.53  molprobity  
 13   13  mt        -94.2   140.8  Favored  11   8  0.22  11  0.46  molprobity  
 14   14  m        -105.9   134.9  Favored   7   7  0.34  10  0.50  molprobity  
 15   15  mt       -132.3   154.5  Favored  11   8  0.31  11  0.40  molprobity  
 16   16  tp10     -107.9   105.2  Favored   6   9  0.39  12  0.45  molprobity  
 17   17  m        -120.3   156.6  Favored   9   7  0.39  10  0.49  molprobity  
 18   18  mt-10    -109.1   156.1  Favored   6   9  0.30  13  0.49  molprobity  
 19   19  Cg_endo   -54.3   -27.2  Favored   7   8  0.25  11  0.35  molprobity  
 20   20  t         -99.3    21.9  Favored   5   6  0.27   8  0.21  molprobity  
 21   21  m-20      -85.6   122.0  Favored   4   8  0.26  11  0.41  molprobity  
 22   22  OUTLIER   -75.4   147.8  Favored   7   7  0.27  10  0.52  molprobity  
 23   23  mm        -54.5   -36.4  Favored  11   8  0.22  11  0.37  molprobity  
 24   24  tt0       -61.9   -37.8  Favored   6   9  0.21  12  0.28  molprobity  
 25   25  t-20      -74.4   -30.7  Favored   6   8  0.25  11  0.31  molprobity  
 26   26  t         -62.2   -41.3  Favored   9   7  0.19  10  0.50  molprobity  
 27   27  mttt      -61.9   -32.9  Favored  13   9  0.22  11  0.36  molprobity  
 28   28  ?         -68.8   -35.2  Favored   5   5  0.14   7  0.36  molprobity  
 29   29  mttt      -70.8   -14.1  Favored  13   9  0.27  11  0.30  molprobity  
 30   30  mt        -98.4   -40.5  Favored  11   8  0.21  11  0.61  molprobity  
 31   31  tt0       -54.0   -42.9  Favored   8   9  0.23  12  0.32  molprobity  
 32   32  p30       -63.2   -36.1  Favored   4   8  0.26  11  0.41  molprobity  
 33   33  ptpp?     -93.8   -40.5  Favored  13   9  0.30  11  0.28  molprobity  
 34   34  mm-40     -86.2   -37.3  Favored   6   9  0.18  12  0.43  molprobity  
 35   35  ?          89.2     2.2  Favored   3   4  0.29   5  0.37  molprobity  
 36   36  mt        -82.0   129.4  Favored  11   8  0.23  12  0.59  molprobity  
 37   37  Cg_exo    -57.5   136.3  Favored   7   8  0.30  12  0.55  molprobity  
 38   38  Cg_exo    -59.1   -33.0  Favored   7   8  0.25  11  0.36  molprobity  
 39   39  OUTLIER   -66.2   -29.2  Favored   4   8  0.16  11  0.28  molprobity  
 40   40  mt-30     -88.5   -23.4  Favored   8   9  0.25  12  0.35  molprobity  
 41   41  mt-30     -71.1   121.7  Favored   8   9  0.32  12  0.44  molprobity  
 42   42  mmt180   -125.9   122.3  Favored  13  11  0.32  14  0.35  molprobity  
 43   43  mt       -104.0   128.3  Favored  11   8  0.29  11  0.27  molprobity  
 44   44  mp       -108.8   129.4  Favored  11   8  0.32  11  0.53  molprobity  
 45   45  t80      -126.5   108.6  Favored   9  12  0.37  16  0.28  molprobity  
 46   46  ?          61.6    30.9  Favored   5   5  0.19   7  0.40  molprobity  
 47   47  ?          80.3    20.5  Favored   3   4  0.26   5  0.21  molprobity  
 48   48  mtmt     -124.4   155.1  Favored  13   9  0.25  11  0.24  molprobity  
 49   49  mt-30     -88.0   148.2  Favored   8   9  0.25  12  0.29  molprobity  
 50   50  mt       -107.5   117.1  Favored  11   8  0.28  11  0.26  molprobity  
 51   51  mm-40     -70.4   135.5  Favored   6   9  0.25  12  0.34  molprobity  
 52   52  m-20      -62.5   -27.5  Favored   4   8  0.13  11  0.37  molprobity  
 53   53  ?         -92.3    22.2  Favored   3   4  0.34   5  0.09  molprobity  
 54   54  mmp_?    -122.0   164.0  Favored  13  11  0.26  14  0.32  molprobity  
 55   55  p        -105.4   168.2  Favored   7   7  0.31  10  0.58  molprobity  
 56   56  mt        -60.2   -35.1  Favored  11   8  0.20  11  0.27  molprobity  
 57   57  OUTLIER   -66.0   -25.8  Favored   5   6  0.12   8  0.34  molprobity  
 58   58  m-20      -65.1   -30.8  Favored   4   8  0.24  11  0.42  molprobity  
 59   59  m-85     -111.4    27.8  Favored   9  13  0.29  18  0.42  molprobity  
 60   60  p-10       42.5    37.8  Allowed   6   8  0.45  11  0.36  molprobity  
 61   61  mt        -75.8   119.1  Favored  11   8  0.22  11  0.41  molprobity  
 62   62  mt-30    -107.8  -162.5  Allowed   8   9  0.25  12  0.28  molprobity  
 63   63  ptpt      -74.0   146.8  Favored  13   9  0.21  11  0.37  molprobity  
 64   64  mt-10      61.8    21.0  Favored   6   9  0.29  12  0.32  molprobity  
 65   65  m         -74.0   147.8  Favored   5   6  0.25   8  0.24  molprobity  
 66   66  m        -107.7   118.3  Favored   7   7  0.29  10  0.49  molprobity  
 67   67  mp       -106.1   135.2  Favored  11   8  0.30  11  0.25  molprobity  
 68   68  m80       -93.5   137.0  Favored   7  11  0.24  15  0.14  molprobity  
 69   69  tp       -113.8   119.2  Favored  11   8  0.26  11  0.28  molprobity  
 70   70  t        -128.6   144.1  Favored   9   7  0.22  10  0.39  molprobity  
 71   71  mt       -119.6   135.1  Favored  11   8  0.24  11  0.26  molprobity  
 72   72  ttt180   -103.5    94.1  Favored  13  11  0.31  14  0.52  molprobity  
 73   73  mt        -78.3   143.8  Favored  11   8  0.25  11  0.32  molprobity  
 74   74  ttm180   -116.2   138.8  Favored  13  11  0.22  14  0.31  molprobity  
 75   75  ?        -108.1   -58.0  Allowed   3   4  0.30   5  0.39  molprobity  
 76   76  ?             ?       ?  ?         3   4  0.75   2  0.80  molprobity  
 77   77  ?             ?       ?  ?         5   4  0.96   6  0.64  molprobity  
 78   78  Cg_endo   -66.4   160.2  Favored   7   8  0.23  11  0.30  molprobity  
 79   79  mp        -89.9   -38.5  Favored  11   8  0.19  11  0.30  molprobity  
 80   80  ?         178.6   144.4  Favored   3   4  0.34   5  0.23  molprobity  
 81   81  m         -78.1   147.1  Favored   5   6  0.26   8  0.24  molprobity  
 82   82  OUTLIER   -70.1   110.0  Favored   5   6  0.27   8  0.37  molprobity  
 83   83  tt0       -70.4   -12.2  Favored   6   9  0.23  12  0.33  molprobity  
 84   84  t70       -67.7   -20.3  Favored   4   8  0.13  11  0.43  molprobity  
 85   85  tp60      -59.0   -32.0  Favored   8   9  0.21  12  0.36  molprobity  
 86   86  m         -58.4   -35.0  Favored   7   7  0.22  10  0.42  molprobity  
 87   87  ?         -66.1   -40.7  Favored   5   5  0.18   7  0.33  molprobity  
 88   88  ?         -64.6   -39.0  Favored   5   5  0.14   7  0.36  molprobity  
 89   89  mt        -67.2   -42.1  Favored  11   8  0.16  11  0.34  molprobity  
 90   90  mmt       -58.6   -44.1  Favored   9   8  0.24  10  0.38  molprobity  
 91   91  ?         -59.7   -41.2  Favored   5   5  0.19   7  0.23  molprobity  
 92   92  t60       -64.0   -32.1  Favored   7  11  0.22  15  0.15  molprobity  
 93   93  mt        -75.0   -36.9  Favored  11   8  0.21  11  0.31  molprobity  
 94   94  m-30      -68.8   -28.2  Favored   9  12  0.33  16  0.26  molprobity  
 95   95  mt-10     -69.8   -21.5  Favored   6   9  0.25  12  0.34  molprobity  
 96   96  mtt       -79.4   -80.8  Allowed   9   8  0.21  10  0.30  molprobity  
 97   97  ?         173.4    62.2  OUTLIER   3   4  0.39   5  0.37  molprobity  
 98   98  m-85     -133.6   -59.0  Allowed   9  12  0.33  16  0.36  molprobity  
 99   99  m          57.7    35.3  Favored   5   6  0.27   8  0.32  molprobity  
100  100  t0       -124.0    92.7  Favored   4   8  0.26  11  0.39  molprobity  
101  101  ptt85     -64.3   -27.7  Favored  13  11  0.24  14  0.33  molprobity  
102  102  mm-40     -72.0   -48.6  Favored   8   9  0.26  12  0.29  molprobity  
103  103  tp        -63.8   -36.8  Favored  11   8  0.21  11  0.28  molprobity  
104  104  m-20      -67.1   -41.7  Favored   6   8  0.27  11  0.29  molprobity  
105  105  OUTLIER   -65.6   -42.9  Favored  11   8  0.28  11  0.22  molprobity  
106  106  OUTLIER   -72.0   -18.6  Favored  13  11  0.27  14  0.43  molprobity  
107  107  OUTLIER   -87.8   -39.6  Favored  11   8  0.23  11  0.27  molprobity  
108  108  mt        -60.8   -40.4  Favored  11   8  0.22  11  0.22  molprobity  
109  109  mmtt      -73.3   -18.0  Favored  13   9  0.23  11  0.23  molprobity  
110  110  OUTLIER   -75.9   -32.3  Favored  13   9  0.24  11  0.24  molprobity  
111  111  m-70     -121.2    23.2  Favored   7  11  0.28  15  0.29  molprobity  
112  112  m120       53.4    56.8  Favored   6   8  0.30  11  0.39  molprobity  
113  113  m-85       61.0    78.3  Allowed   9  13  0.30  18  0.31  molprobity  
114  114  t-20     -134.3    91.2  Favored   6   8  0.25  11  0.38  molprobity  
115  115  tp        -57.2   -36.3  Favored  11   8  0.24  11  0.31  molprobity  
116  116  mp        -62.7   -39.3  Favored  11   8  0.27  11  0.23  molprobity  
117  117  OUTLIER   -79.0   -37.8  Favored   8   9  0.26  12  0.24  molprobity  
118  118  t         -58.4   -53.2  Favored   9   7  0.21  10  0.41  molprobity  
119  119  t         -60.0   -46.3  Favored   9   7  0.24  10  0.47  molprobity  
120  120  m         -70.7   -30.6  Favored   7   7  0.25  10  0.53  molprobity  
121  121  OUTLIER   -72.2   -42.2  Favored   6   9  0.17  12  0.42  molprobity  
122  122  mp        -64.6   -36.5  Favored  11   8  0.20  11  0.22  molprobity  
123  123  mt        -65.3   -30.5  Favored  11   8  0.23  11  0.28  molprobity  
124  124  mt-30     -72.0   -14.9  Favored   8   9  0.24  12  0.23  molprobity  
125  125  tp        -84.5   -39.3  Favored  11   8  0.27  11  0.25  molprobity  
126  126  t30      -131.7    81.5  Allowed   6   8  0.25  11  0.23  molprobity  
127  127  p-10     -126.2    12.7  Favored   6   8  0.33  11  0.32  molprobity  
128  128  OUTLIER       ?       ?  ?         6   8  0.54   8  0.46  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    2  HA   1  0.42  2.15  
2   15  O    1  0.42  2.15  
3  123  O    2  0.41  2.15  
4  127  HB3  2  0.41  2.15  
#
_pdbx_vrpt_chemical_shift_list.ordinal                           1
_pdbx_vrpt_chemical_shift_list.file_id                           5
_pdbx_vrpt_chemical_shift_list.file_name                         working_cs.cif
_pdbx_vrpt_chemical_shift_list.block_name                        assigned_chem_shift_list_1
_pdbx_vrpt_chemical_shift_list.list_id                           1
_pdbx_vrpt_chemical_shift_list.type                              full
_pdbx_vrpt_chemical_shift_list.number_of_errors_while_mapping    0
_pdbx_vrpt_chemical_shift_list.number_of_warnings_while_mapping  0
_pdbx_vrpt_chemical_shift_list.number_of_mapped_shifts           580
_pdbx_vrpt_chemical_shift_list.number_of_parsed_shifts           580
_pdbx_vrpt_chemical_shift_list.total_number_of_shifts            580
_pdbx_vrpt_chemical_shift_list.number_of_unparsed_shifts         0
#
loop_
_pdbx_vrpt_random_coil_index.ordinal
_pdbx_vrpt_random_coil_index.auth_asym_id
_pdbx_vrpt_random_coil_index.rescode
_pdbx_vrpt_random_coil_index.auth_seq_id
_pdbx_vrpt_random_coil_index.value
 1  B  PRO    2  0.516  
 2  B  LEU    3  0.470  
 3  B  GLY    4  0.398  
 4  B  SER    5  0.301  
 5  B  SER  913  0.090  
 6  B  GLU  914  0.023  
 7  B  ASP  915  0.000  
 8  B  GLN  916  0.007  
 9  B  THR  917  0.012  
10  B  ALA  918  0.022  
11  B  ALA  919  0.028  
12  B  LEU  920  0.033  
13  B  MET  921  0.033  
14  B  ALA  922  0.028  
15  B  HIS  923  0.026  
16  B  LEU  924  0.024  
17  B  PHE  925  0.027  
18  B  GLU  926  0.031  
19  B  MET  927  0.036  
20  B  GLY  928  0.039  
21  B  PHE  929  0.041  
22  B  CYS  930  0.038  
23  B  ASP  931  0.033  
24  B  ARG  932  0.026  
25  B  GLN  933  0.022  
26  B  LEU  934  0.021  
27  B  ASN  935  0.021  
28  B  LEU  936  0.022  
29  B  ARG  937  0.020  
30  B  LEU  938  0.019  
31  B  LEU  939  0.016  
32  B  LYS  940  0.017  
33  B  LYS  941  0.022  
34  B  HIS  942  0.026  
35  B  ASN  943  0.026  
36  B  TYR  944  0.024  
37  B  ASN  945  0.024  
38  B  ILE  946  0.024  
39  B  LEU  947  0.020  
40  B  GLN  948  0.015  
41  B  VAL  949  0.011  
42  B  VAL  950  0.009  
43  B  THR  951  0.010  
44  B  GLU  952  0.014  
45  B  LEU  953  0.021  
46  B  LEU  954  0.034  
47  B  GLN  955  0.053  
48  B  LEU  956  0.092  
49  B  ASN  957  0.144  
50  B  ASN  958  0.195  
51  B  ASN  959  0.219  
#
_pdbx_vrpt_chemical_shift_outlier.ordinal        1
_pdbx_vrpt_chemical_shift_outlier.auth_asym_id   B
_pdbx_vrpt_chemical_shift_outlier.rescode        ASP
_pdbx_vrpt_chemical_shift_outlier.auth_seq_id    915
_pdbx_vrpt_chemical_shift_outlier.label_atom_id  H
_pdbx_vrpt_chemical_shift_outlier.value          915.293
_pdbx_vrpt_chemical_shift_outlier.zscore         1631.290
_pdbx_vrpt_chemical_shift_outlier.prediction     5.52~11.08
_pdbx_vrpt_chemical_shift_outlier.method         BMRB-Statistics
#
loop_
_pdbx_vrpt_referencing_offset.ordinal
_pdbx_vrpt_referencing_offset.label_atom_id
_pdbx_vrpt_referencing_offset.uncertainty
_pdbx_vrpt_referencing_offset.precision
_pdbx_vrpt_referencing_offset.value
_pdbx_vrpt_referencing_offset.number_of_measurements
1  C   0.50  0.00   0.00   0  
2  CA  0.50  0.18  -0.28  51  
3  CB  0.50  0.10   0.15  49  
4  N   0.50  0.38  -0.44  50  
#
loop_
_pdbx_vrpt_assign_completeness_well_defined.ordinal
_pdbx_vrpt_assign_completeness_well_defined.number_of_assigned_shifts
_pdbx_vrpt_assign_completeness_well_defined.number_of_unassigned_shifts
_pdbx_vrpt_assign_completeness_well_defined.number_of_shifts
_pdbx_vrpt_assign_completeness_well_defined.type
_pdbx_vrpt_assign_completeness_well_defined.element
 1    0    26    26  stereomethyl  stereomethyl  
 2  579  1222  1801  overall       Total         
 3  204   437   641  backbone      Total         
 4  347   734  1081  sidechain     Total         
 5   28    51    79  aromatic      Total         
 6  353   648  1001  overall       H             
 7  103   158   261  backbone      H             
 8  236   464   700  sidechain     H             
 9   14    26    40  aromatic      H             
10  176   452   628  overall       C             
11   51   205   256  backbone      C             
12  111   225   336  sidechain     C             
13   14    22    36  aromatic      C             
14   50   122   172  overall       N             
15   50    74   124  backbone      N             
16    0    45    45  sidechain     N             
17    0     3     3  aromatic      N             
#
loop_
_pdbx_vrpt_assign_completeness_full_length.ordinal
_pdbx_vrpt_assign_completeness_full_length.number_of_assigned_shifts
_pdbx_vrpt_assign_completeness_full_length.number_of_unassigned_shifts
_pdbx_vrpt_assign_completeness_full_length.number_of_shifts
_pdbx_vrpt_assign_completeness_full_length.type
_pdbx_vrpt_assign_completeness_full_length.element
 1    0    26    26  stereomethyl  stereomethyl  
 2  579  1222  1801  overall       Total         
 3  204   437   641  backbone      Total         
 4  347   734  1081  sidechain     Total         
 5   28    51    79  aromatic      Total         
 6  353   648  1001  overall       H             
 7  103   158   261  backbone      H             
 8  236   464   700  sidechain     H             
 9   14    26    40  aromatic      H             
10  176   452   628  overall       C             
11   51   205   256  backbone      C             
12  111   225   336  sidechain     C             
13   14    22    36  aromatic      C             
14   50   122   172  overall       N             
15   50    74   124  backbone      N             
16    0    45    45  sidechain     N             
17    0     3     3  aromatic      N             
#
loop_
_pdbx_vrpt_restraint_summary.ordinal
_pdbx_vrpt_restraint_summary.description
_pdbx_vrpt_restraint_summary.value
 1  "Total distance restraints"                     18  
 2  "Intra-residue (|i-j|=0)"                        0  
 3  "Sequential (|i-j|=1)"                           0  
 4  "Medium range (|i-j|>1 and |i-j|<5)"             0  
 5  "Long range (|i-j|>=5)"                          0  
 6  Inter-chain                                     18  
 7  "Total hydrogen bond restraints"                 0  
 8  "Total disulfide bond restraints"                0  
 9  "Total dihedral-angle restraints"                0  
10  "Number of unmapped restraints"                  0  
11  "Number of restraints per residue"             0.1  
12  "Number of long range restraints per residue"  0.0  
#
loop_
_pdbx_vrpt_distance_violation_summary.ordinal
_pdbx_vrpt_distance_violation_summary.restraint_type
_pdbx_vrpt_distance_violation_summary.restraint_sub_type
_pdbx_vrpt_distance_violation_summary.restraints_count
_pdbx_vrpt_distance_violation_summary.percent_total
_pdbx_vrpt_distance_violation_summary.consistently_violated_count
_pdbx_vrpt_distance_violation_summary.consistently_violated_percent_total
_pdbx_vrpt_distance_violation_summary.consistently_violated_percent_type
_pdbx_vrpt_distance_violation_summary.violated_count
_pdbx_vrpt_distance_violation_summary.violated_percent_total
_pdbx_vrpt_distance_violation_summary.violated_percent_type
 1  Intra-residue  all                  0    0.0  0  0.0   0.0  0  0.0   0.0  
 2  Intra-residue  BackboneBackbone     0    0.0  0  0.0   0.0  0  0.0   0.0  
 3  Intra-residue  BackboneSidechain    0    0.0  0  0.0   0.0  0  0.0   0.0  
 4  Intra-residue  SidechainSidechain   0    0.0  0  0.0   0.0  0  0.0   0.0  
 5  Sequential     all                  0    0.0  0  0.0   0.0  0  0.0   0.0  
 6  Sequential     BackboneBackbone     0    0.0  0  0.0   0.0  0  0.0   0.0  
 7  Sequential     BackboneSidechain    0    0.0  0  0.0   0.0  0  0.0   0.0  
 8  Sequential     SidechainSidechain   0    0.0  0  0.0   0.0  0  0.0   0.0  
 9  MediumRange    all                  0    0.0  0  0.0   0.0  0  0.0   0.0  
10  MediumRange    BackboneBackbone     0    0.0  0  0.0   0.0  0  0.0   0.0  
11  MediumRange    BackboneSidechain    0    0.0  0  0.0   0.0  0  0.0   0.0  
12  MediumRange    SidechainSidechain   0    0.0  0  0.0   0.0  0  0.0   0.0  
13  LongRange      all                  0    0.0  0  0.0   0.0  0  0.0   0.0  
14  LongRange      BackboneBackbone     0    0.0  0  0.0   0.0  0  0.0   0.0  
15  LongRange      BackboneSidechain    0    0.0  0  0.0   0.0  0  0.0   0.0  
16  LongRange      SidechainSidechain   0    0.0  0  0.0   0.0  0  0.0   0.0  
17  InterChain     all                 18  100.0  1  5.6   5.6  1  5.6   5.6  
18  InterChain     BackboneBackbone     2   11.1  0  0.0   0.0  0  0.0   0.0  
19  InterChain     BackboneSidechain    4   22.2  1  5.6  25.0  1  5.6  25.0  
20  InterChain     SidechainSidechain  12   66.7  0  0.0   0.0  0  0.0   0.0  
21  HydrogenBond   all                  0    0.0  0  0.0   0.0  0  0.0   0.0  
22  DisulfideBond  all                  0    0.0  0  0.0   0.0  0  0.0   0.0  
23  Total          all                 18  100.0  1  5.6   5.6  1  5.6   5.6  
24  Total          BackboneBackbone     2   11.1  0  0.0   0.0  0  0.0   0.0  
25  Total          BackboneSidechain    4   22.2  1  5.6  25.0  1  5.6  25.0  
26  Total          SidechainSidechain  12   66.7  0  0.0   0.0  0  0.0   0.0  
#
_pdbx_vrpt_distance_violation_model_summary.ordinal             1
_pdbx_vrpt_distance_violation_model_summary.PDB_model_num       1
_pdbx_vrpt_distance_violation_model_summary.max_violation       0.15
_pdbx_vrpt_distance_violation_model_summary.mean_violation      0.15
_pdbx_vrpt_distance_violation_model_summary.median_violation    0.15
_pdbx_vrpt_distance_violation_model_summary.standard_deviation  0.00
#
loop_
_pdbx_vrpt_distance_violation_model_restraints.ordinal
_pdbx_vrpt_distance_violation_model_restraints.PDB_model_num
_pdbx_vrpt_distance_violation_model_restraints.dist_rest_type
_pdbx_vrpt_distance_violation_model_restraints.violations_count
1  1  intraresidue  0  
2  1  sequential    0  
3  1  medium        0  
4  1  long          0  
5  1  interchain    1  
6  1  total         1  
#
_pdbx_vrpt_distance_violations_ensemble_summary.id                            1
_pdbx_vrpt_distance_violations_ensemble_summary.fraction_of_ensemble_count    1
_pdbx_vrpt_distance_violations_ensemble_summary.fraction_of_ensemble_percent  100.0
#
loop_
_pdbx_vrpt_distance_violation_ensemble.ordinal
_pdbx_vrpt_distance_violation_ensemble.ensemble_distance_count
_pdbx_vrpt_distance_violation_ensemble.dist_rest_type
_pdbx_vrpt_distance_violation_ensemble.violations_count
1  1  intraresidue  0  
2  1  sequential    0  
3  1  medium        0  
4  1  long          0  
5  1  interchain    1  
6  1  total         1  
#
loop_
_pdbx_vrpt_residual_distance_violations.ordinal
_pdbx_vrpt_residual_distance_violations.bins
_pdbx_vrpt_residual_distance_violations.max_violation
_pdbx_vrpt_residual_distance_violations.violations_per_model
1  0.1-0.2  0.1   1.0   
2  0.2-0.5  None  None  
3  >0.5     None  None  
#
loop_
_pdbx_vrpt_violated_distance_restraints.ordinal
_pdbx_vrpt_violated_distance_restraints.rest_id
_pdbx_vrpt_violated_distance_restraints.rlist_id
_pdbx_vrpt_violated_distance_restraints.instance_id_1
_pdbx_vrpt_violated_distance_restraints.instance_id_2
_pdbx_vrpt_violated_distance_restraints.atom_1
_pdbx_vrpt_violated_distance_restraints.atom_2
_pdbx_vrpt_violated_distance_restraints.violation
1  5  1  119  70  HG21  HA  0.15  
2  5  1  119  70  HG22  HA  0.15  
3  5  1  119  70  HG23  HA  0.15  
#
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  chemicalshiftanalysis  2.33                                                                  Y  
3  panav                  "Wang et al. (2010)"                                                  Y  
4  rci                    "v_1n_11_5_13_A (Berjanski et al., 2005)"                             Y  
5  restraintsanalysis     v1.2                                                                  Y  
6  percentiles            "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
