data_5VAB

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  5VAB
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    5VAB
_pdbx_vrpt_summary.PDB_deposition_date         2017-03-24
_pdbx_vrpt_summary.PDB_revision_number         3
_pdbx_vrpt_summary.PDB_revision_date           2023-10-04
_pdbx_vrpt_summary.report_creation_date        2023-09-24:18:32
_pdbx_vrpt_summary.attempted_validation_steps  molprobity,validation-pack,xtriage,eds,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      "ATXR5 PHD domain"  
2  polymer      "Histone H3 peptide"  
3  non-polymer  "ZINC ION"  
4  water        water  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  2  
C  3  
D  3  
E  4  
F  4  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all    x-ray  
2  1.702  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      
4  RSRZ_outliers_percent         
5  R_value_R_free                
#
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   96.17  141614     ?     ?  
 2  2  1   96.10    4695  1.70  1.70  
 3  1  2  100.00  138981     ?     ?  
 4  2  2  100.00    4610  1.70  1.70  
 5  1  3  100.00  138945     ?     ?  
 6  2  3  100.00    4610  1.70  1.70  
 7  1  4    3.64  127900     ?     ?  
 8  2  4    4.26    4222  1.70  1.70  
 9  1  5   93.80  130704     ?     ?  
10  2  5   94.85    4298  1.70  1.70  
#
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  100.00  
 4  6  3  A  1  1  A  100.00  
 5  7  4  A  1  1  A    8.30  
 6  8  4  A  1  1  A    9.40  
 7  3  2  B  1  2  F  100.00  
 8  4  2  B  1  2  F  100.00  
 9  5  3  B  1  2  F  100.00  
10  6  3  B  1  2  F  100.00  
11  7  4  B  1  2  F    0.23  
12  8  4  B  1  2  F    0.09  
#
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  0.48  0.31  406  547  
2  1  2  B  F  0.61  0.32   91  119  
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  0.00
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       0.00
_pdbx_vrpt_summary_geometry.clashscore                     1.04
_pdbx_vrpt_summary_geometry.num_H_reduce                   474
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 497
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.31
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                666
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.51
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.Babinet_b                 143.529
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            47.083
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         16.997
_pdbx_vrpt_summary_diffraction.I_over_sigma              40.41(1.71A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        8223
_pdbx_vrpt_summary_diffraction.Babinet_k                 0.261
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.407
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.496
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.331
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.964
_pdbx_vrpt_summary_diffraction.DCC_R                     0.15
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.18
_pdbx_vrpt_summary_diffraction.EDS_R                     0.16
_pdbx_vrpt_summary_diffraction.EDS_res_high              1.70
_pdbx_vrpt_summary_diffraction.EDS_res_low               23.54
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[18.419,18.419,14.187,0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.249
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 13.06% of the height of the origin peak. No significant pseudotranslation is detected."
_pdbx_vrpt_summary_diffraction.B_factor_type             FULL
_pdbx_vrpt_summary_diffraction.acentric_outliers         0
_pdbx_vrpt_summary_diffraction.centric_outliers          0
_pdbx_vrpt_summary_diffraction.data_completeness         99.65
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      433
_pdbx_vrpt_summary_diffraction.percent_free_reflections  5.27
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     12.31
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       1.70
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        23.54
_pdbx_vrpt_summary_diffraction.PDB_R                     0.15
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.18
#
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  GLY  A   18  .  ?        1  
  2  1  1  A   2  ALA  A   19  .  ?        ?  
  3  1  1  A   3  MET  A   20  .  ?        ?  
  4  1  1  A   4  GLY  A   21  .  ?        ?  
  5  1  1  A   5  SER  A   22  .  ?        ?  
  6  1  1  A   6  VAL  A   23  .  ?        ?  
  7  1  1  A   7  SER  A   24  .  ?        ?  
  8  1  1  A   8  CYS  A   25  .  ?        ?  
  9  1  1  A   9  GLU  A   26  .  ?        ?  
 10  1  1  A  10  GLU  A   27  .  ?        ?  
 11  1  1  A  11  CYS  A   28  .  ?        ?  
 12  1  1  A  12  GLY  A   29  .  ?        ?  
 13  1  1  A  13  GLY  A   30  .  ?        ?  
 14  1  1  A  14  GLY  A   31  .  ?        ?  
 15  1  1  A  15  HIS  A   32  .  ?        ?  
 16  1  1  A  16  SER  A   33  .  ?        ?  
 17  1  1  A  17  PRO  A   34  .  ?        ?  
 18  1  1  A  18  SER  A   35  .  ?        ?  
 19  1  1  A  19  LYS  A   36  .  ?        ?  
 20  1  1  A  20  LEU  A   37  .  ?        ?  
 21  1  1  A  21  LEU  A   38  .  ?        ?  
 22  1  1  A  22  LEU  A   39  .  ?        ?  
 23  1  1  A  23  CYS  A   40  .  ?        ?  
 24  1  1  A  24  ASP  A   41  .  ?        ?  
 25  1  1  A  25  LYS  A   42  .  ?        ?  
 26  1  1  A  26  CYS  A   43  .  ?        ?  
 27  1  1  A  27  ASP  A   44  .  ?        ?  
 28  1  1  A  28  ARG  A   45  .  ?        ?  
 29  1  1  A  29  GLY  A   46  .  ?        ?  
 30  1  1  A  30  TYR  A   47  .  ?        ?  
 31  1  1  A  31  HIS  A   48  .  ?        ?  
 32  1  1  A  32  LEU  A   49  .  ?        ?  
 33  1  1  A  33  PHE  A   50  .  ?        ?  
 34  1  1  A  34  CYS  A   51  .  ?        ?  
 35  1  1  A  35  LEU  A   52  .  ?        ?  
 36  1  1  A  36  ARG  A   53  .  ?        ?  
 37  1  1  A  37  PRO  A   54  .  ?        ?  
 38  1  1  A  38  ILE  A   55  .  ?        ?  
 39  1  1  A  39  LEU  A   56  .  ?        ?  
 40  1  1  A  40  PRO  A   57  .  ?        ?  
 41  1  1  A  41  SER  A   58  .  ?        ?  
 42  1  1  A  42  VAL  A   59  .  ?        ?  
 43  1  1  A  43  PRO  A   60  .  ?        ?  
 44  1  1  A  44  LYS  A   61  .  ?        ?  
 45  1  1  A  45  GLY  A   62  .  ?        ?  
 46  1  1  A  46  SER  A   63  .  ?        ?  
 47  1  1  A  47  TRP  A   64  .  ?        ?  
 48  1  1  A  48  PHE  A   65  .  ?        ?  
 49  1  1  A  49  CYS  A   66  .  ?        ?  
 50  1  1  A  50  PRO  A   67  .  ?        ?  
 51  1  1  A  51  SER  A   68  .  ?        ?  
 52  1  1  A  52  CYS  A   69  .  ?        ?  
 53  1  1  A  53  SER  A   70  .  ?        ?  
 54  1  1  A  54  ASN  A   71  .  ?        ?  
 55  1  2  B   1  ALA  F    1  .  ?        ?  
 56  1  2  B   2  ARG  F    2  .  ?        ?  
 57  1  2  B   3  THR  F    3  .  ?        ?  
 58  1  2  B   4  LYS  F    4  .  ?        ?  
 59  1  2  B   5  GLN  F    5  .  ?        ?  
 60  1  2  B   6  THR  F    6  .  ?        ?  
 61  1  2  B   7  ALA  F    7  .  ?        ?  
 62  1  2  B   8  ARG  F    8  .  ?        ?  
 63  1  2  B   9  LYS  F    9  .  ?        1  
 64  1  2  B  10  SER  F   10  .  ?        ?  
 65  1  2  B  11  TYR  F   11  .  ?        ?  
 66  1  3  C   .  ZN   A  101  .  ?        ?  
 67  1  3  D   .  ZN   A  102  .  ?        ?  
 68  1  4  E   .  HOH  A  201  .  ?        ?  
 69  1  4  E   .  HOH  A  202  .  ?        ?  
 70  1  4  E   .  HOH  A  203  .  ?        ?  
 71  1  4  E   .  HOH  A  204  .  ?        ?  
 72  1  4  E   .  HOH  A  205  .  ?        ?  
 73  1  4  E   .  HOH  A  206  .  ?        ?  
 74  1  4  E   .  HOH  A  207  .  ?        ?  
 75  1  4  E   .  HOH  A  208  .  ?        ?  
 76  1  4  E   .  HOH  A  209  .  ?        ?  
 77  1  4  E   .  HOH  A  210  .  ?        ?  
 78  1  4  E   .  HOH  A  211  .  ?        ?  
 79  1  4  E   .  HOH  A  212  .  ?        ?  
 80  1  4  E   .  HOH  A  213  .  ?        ?  
 81  1  4  E   .  HOH  A  214  .  ?        ?  
 82  1  4  E   .  HOH  A  215  .  ?        ?  
 83  1  4  E   .  HOH  A  216  .  ?        ?  
 84  1  4  E   .  HOH  A  217  .  ?        ?  
 85  1  4  E   .  HOH  A  218  .  ?        ?  
 86  1  4  E   .  HOH  A  219  .  ?        ?  
 87  1  4  E   .  HOH  A  220  .  ?        ?  
 88  1  4  E   .  HOH  A  221  .  ?        ?  
 89  1  4  E   .  HOH  A  222  .  ?        ?  
 90  1  4  E   .  HOH  A  223  .  ?        ?  
 91  1  4  E   .  HOH  A  224  .  ?        ?  
 92  1  4  E   .  HOH  A  225  .  ?        ?  
 93  1  4  E   .  HOH  A  226  .  ?        ?  
 94  1  4  E   .  HOH  A  227  .  ?        ?  
 95  1  4  E   .  HOH  A  228  .  ?        ?  
 96  1  4  E   .  HOH  A  229  .  ?        ?  
 97  1  4  E   .  HOH  A  230  .  ?        ?  
 98  1  4  E   .  HOH  A  231  .  ?        ?  
 99  1  4  E   .  HOH  A  232  .  ?        ?  
100  1  4  E   .  HOH  A  233  .  ?        ?  
101  1  4  E   .  HOH  A  234  .  ?        ?  
102  1  4  E   .  HOH  A  235  .  ?        ?  
103  1  4  E   .  HOH  A  236  .  ?        ?  
104  1  4  F   .  HOH  F  101  .  ?        ?  
105  1  4  F   .  HOH  F  102  .  ?        ?  
106  1  4  F   .  HOH  F  103  .  ?        ?  
107  1  4  F   .  HOH  F  104  .  ?        ?  
108  1  4  F   .  HOH  F  105  .  ?        ?  
109  1  4  F   .  HOH  F  106  .  ?        ?  
110  1  4  F   .  HOH  F  107  .  ?        ?  
111  1  4  F   .  HOH  F  108  .  ?        ?  
112  1  4  F   .  HOH  F  109  .  ?        ?  
113  1  4  F   .  HOH  F  110  .  ?        ?  
114  1  4  F   .  HOH  F  111  .  ?        ?  
115  1  4  F   .  HOH  F  112  .  ?        ?  
116  1  4  F   .  HOH  F  113  .  ?        ?  
#
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.cis_peptide
_pdbx_vrpt_model_instance_geometry.num_H_reduce
_pdbx_vrpt_model_instance_geometry.OWAB
_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
_pdbx_vrpt_model_instance_geometry.average_occupancy
  1    1  ?             ?       ?  ?        ?        2  41.150     4  0.27     5  0.35  molprobity  1.000  
  2    2  ?         -72.1   153.7  Favored  ?        5  36.620     5  0.24     7  0.32  molprobity  1.000  
  3    3  mtm       -75.9   158.7  Favored  ?        9  30.700     8  0.23    10  0.41  molprobity  1.000  
  4    4  ?         -74.2   173.1  Favored  ?        3  35.620     4  0.22     5  0.48  molprobity  1.000  
  5    5  p         -87.0    18.0  Favored  ?        5  35.370     6  0.26     8  0.55  molprobity  1.000  
  6    6  p         -61.9   142.4  Favored  ?        9  26.540     7  0.49    10  0.52  molprobity  1.000  
  7    7  m        -123.6   156.2  Favored  ?        5  21.660     6  0.45     8  0.51  molprobity  1.000  
  8    8  t         -68.4   132.2  Favored  ?        4  14.370     6  0.18     8  0.46  molprobity  1.000  
  9    9  mm-40     -69.0   -25.8  Favored  ?        6  19.320     9  0.35    12  0.42  molprobity  1.000  
 10   10  mm-40     -79.6   -47.3  Favored  ?        6  17.960     9  0.33    12  0.45  molprobity  1.000  
 11   11  p        -109.0   -10.0  Favored  ?        4  17.290     6  0.26     8  0.43  molprobity  1.000  
 12   12  ?          81.0    -0.6  Favored  ?        3  18.820     4  0.18     5  0.37  molprobity  1.000  
 13   13  ?         -92.8   145.6  Favored  ?        3  18.890     4  0.22     5  0.35  molprobity  1.000  
 14   14  ?        -106.2     9.4  Favored  ?        3  19.660     4  0.20     5  0.48  molprobity  1.000  
 15   15  p80       -76.7   177.3  Favored  ?        7  21.320    11  0.14    15  0.33  molprobity  1.000  
 16   16  m          47.6    54.4  Favored  ?        5  17.890     6  0.25     9  0.47  molprobity  1.000  
 17   17  Cg_endo   -64.5   -25.2  Favored  ?        7  15.540     8  0.22    11  0.39  molprobity  1.000  
 18   18  p         -69.7   -15.4  Favored  ?        5  15.460     6  0.30     8  0.34  molprobity  1.000  
 19   19  mttp     -112.6     8.1  Favored  ?       13  14.210     9  0.26    11  0.49  molprobity  1.000  
 20   20  tt        -97.0    94.3  Favored  ?       11  13.810     8  0.27    11  0.75  molprobity  1.000  
 21   21  mt        -75.1   140.5  Favored  ?       11  14.800     8  0.33    11  1.12  molprobity  1.000  
 22   22  mt       -107.6   127.5  Favored  ?       11  13.560     8  0.25    11  0.32  molprobity  1.000  
 23   23  t         -71.6   136.7  Favored  ?        4  12.240     6  0.39     8  0.32  molprobity  1.000  
 24   24  m-20      -79.7     4.4  Favored  ?        4  15.930     8  0.21    11  0.68  molprobity  1.000  
 25   25  tttp     -112.3   -73.2  Allowed  ?       13  19.700     9  0.33    11  0.44  molprobity  1.000  
 26   26  p         -72.0   -17.8  Favored  ?        4  13.910     6  0.26     8  0.58  molprobity  1.000  
 27   27  t0         64.7    14.7  Favored  ?        4  13.810     8  0.38    11  0.57  molprobity  1.000  
 28   28  mpt_?     -74.7   153.8  Favored  ?       13  17.350    11  0.21    14  0.35  molprobity  1.000  
 29   29  ?        -103.8   143.0  Favored  ?        3  12.060     4  0.19     5  0.43  molprobity  1.000  
 30   30  m-85     -141.8   124.6  Favored  ?        9  13.160    13  0.50    18  0.45  molprobity  1.000  
 31   31  m80       -63.0   143.2  Favored  ?        7  12.560    11  0.17    15  0.43  molprobity  1.000  
 32   32  mt        -50.1   -40.1  Favored  ?       11  11.910     8  0.35    11  0.78  molprobity  1.000  
 33   33  p90       -86.7    -0.9  Favored  ?        9  12.680    12  0.49    16  0.33  molprobity  1.000  
 34   34  m        -103.5   -18.2  Favored  ?        4  11.950     6  0.37     8  0.34  molprobity  1.000  
 35   35  mt        -67.1   146.2  Favored  ?       11  10.330     8  0.33    11  0.56  molprobity  1.000  
 36   36  mmt-85   -132.0   116.6  Favored  Y       13  10.700    11  0.32    15  0.62  molprobity  1.000  
 37   37  Cg_endo   -64.2   147.6  Favored  ?        7  10.710     8  0.23    11  0.59  molprobity  1.000  
 38   38  mt        -63.9   139.7  Favored  ?       11  11.540     8  0.41    11  0.56  molprobity  1.000  
 39   39  mt       -102.9   138.7  Favored  ?       11  12.860     8  0.23    12  0.61  molprobity  1.000  
 40   40  Cg_endo   -88.6   -18.4  Favored  ?        7  13.520     8  0.19    11  0.30  molprobity  1.000  
 41   41  p        -157.1   167.8  Favored  ?        5  16.620     6  0.25     8  0.30  molprobity  1.000  
 42   42  t         -69.3   121.4  Favored  ?        9  14.980     7  0.29    11  0.51  molprobity  1.000  
 43   43  Cg_exo    -64.0   148.2  Favored  ?        7  17.610     8  0.15    11  0.47  molprobity  1.000  
 44   44  mmtt      -79.6   141.5  Favored  ?       13  28.710     9  0.23    11  0.38  molprobity  1.000  
 45   45  ?          83.2  -168.7  Favored  ?        3  20.560     4  0.34     5  0.18  molprobity  1.000  
 46   46  p         -70.8   147.9  Favored  ?        5  21.030     6  0.34     8  0.28  molprobity  1.000  
 47   47  t90      -133.7   139.5  Favored  ?       10  13.480    16  0.31    23  0.26  molprobity  1.000  
 48   48  m-85     -127.0   135.1  Favored  ?        9  14.360    12  0.43    16  0.25  molprobity  1.000  
 49   49  p         -71.6   167.8  Favored  ?        4  12.830     6  0.35     9  0.40  molprobity  1.000  
 50   50  Cg_exo    -55.3   -27.5  Favored  ?        7  13.840     8  0.24    11  0.59  molprobity  1.000  
 51   51  p         -82.7   -10.1  Favored  ?        5  18.900     6  0.36     8  0.25  molprobity  1.000  
 52   52  m        -122.3    -5.2  Favored  ?        4  16.750     6  0.24     8  0.49  molprobity  1.000  
 53   53  p         -79.3    -3.2  Favored  ?        5  20.670     6  0.19     8  0.24  molprobity  1.000  
 54   54  p-10          ?       ?  ?        ?        6  24.800     7  0.33     8  0.43  molprobity  1.000  
 55   55  ?             ?       ?  ?        ?        7  18.590     5  0.18     7  0.29  molprobity  1.000  
 56   56  mtm105    -93.7   145.0  Favored  ?       13  13.600    11  0.26    14  0.96  molprobity  1.000  
 57   57  p        -129.3   170.8  Favored  ?        7  14.350     7  0.23    10  0.70  molprobity  1.000  
 58   58  tttt      -58.1   -37.0  Favored  ?       13  15.770     9  0.28    11  0.34  molprobity  1.000  
 59   59  tp60      -61.2   -43.3  Favored  ?        8  25.580     9  0.26    12  0.49  molprobity  1.000  
 60   60  p         -84.2   -19.4  Favored  ?        7  20.130     7  0.34    10  0.58  molprobity  1.000  
 61   61  ?         -77.6    70.3  Favored  ?        5  20.760     5  0.35     7  0.48  molprobity  1.000  
 62   62  ptt180   -156.3   163.2  Favored  ?       13  29.040    11  0.41    14  0.75  molprobity  1.000  
 63   63  mttm      -85.6   134.9  Favored  ?       13  23.780     9  0.33    11  0.36  molprobity  1.000  
 64   64  m        -119.7   105.1  Favored  ?        5  36.740     6  0.27     8  0.68  molprobity  1.000  
 65   65  m-85          ?       ?  ?        ?        9  35.240    12  0.43    15  0.48  molprobity  1.000  
 66   66  ?             ?       ?  ?        ?        ?  14.970     ?     ?     ?     ?  ?           1.000  
 67   67  ?             ?       ?  ?        ?        ?  14.940     ?     ?     ?     ?  ?           1.000  
 68   68  ?             ?       ?  ?        ?        ?  29.580     ?     ?     ?     ?  ?           1.000  
 69   69  ?             ?       ?  ?        ?        ?  19.330     ?     ?     ?     ?  ?           1.000  
 70   70  ?             ?       ?  ?        ?        ?  29.420     ?     ?     ?     ?  ?           1.000  
 71   71  ?             ?       ?  ?        ?        ?  38.740     ?     ?     ?     ?  ?           1.000  
 72   72  ?             ?       ?  ?        ?        ?  21.760     ?     ?     ?     ?  ?           1.000  
 73   73  ?             ?       ?  ?        ?        ?  34.860     ?     ?     ?     ?  ?           1.000  
 74   74  ?             ?       ?  ?        ?        ?  35.070     ?     ?     ?     ?  ?           1.000  
 75   75  ?             ?       ?  ?        ?        ?  25.670     ?     ?     ?     ?  ?           1.000  
 76   76  ?             ?       ?  ?        ?        ?  28.590     ?     ?     ?     ?  ?           1.000  
 77   77  ?             ?       ?  ?        ?        ?  19.050     ?     ?     ?     ?  ?           1.000  
 78   78  ?             ?       ?  ?        ?        ?  34.790     ?     ?     ?     ?  ?           1.000  
 79   79  ?             ?       ?  ?        ?        ?  19.720     ?     ?     ?     ?  ?           1.000  
 80   80  ?             ?       ?  ?        ?        ?  16.260     ?     ?     ?     ?  ?           1.000  
 81   81  ?             ?       ?  ?        ?        ?  42.350     ?     ?     ?     ?  ?           1.000  
 82   82  ?             ?       ?  ?        ?        ?  21.800     ?     ?     ?     ?  ?           1.000  
 83   83  ?             ?       ?  ?        ?        ?  27.600     ?     ?     ?     ?  ?           1.000  
 84   84  ?             ?       ?  ?        ?        ?  36.090     ?     ?     ?     ?  ?           1.000  
 85   85  ?             ?       ?  ?        ?        ?  25.100     ?     ?     ?     ?  ?           1.000  
 86   86  ?             ?       ?  ?        ?        ?  15.690     ?     ?     ?     ?  ?           1.000  
 87   87  ?             ?       ?  ?        ?        ?  37.670     ?     ?     ?     ?  ?           1.000  
 88   88  ?             ?       ?  ?        ?        ?  38.720     ?     ?     ?     ?  ?           1.000  
 89   89  ?             ?       ?  ?        ?        ?  31.280     ?     ?     ?     ?  ?           1.000  
 90   90  ?             ?       ?  ?        ?        ?  30.540     ?     ?     ?     ?  ?           1.000  
 91   91  ?             ?       ?  ?        ?        ?  40.940     ?     ?     ?     ?  ?           1.000  
 92   92  ?             ?       ?  ?        ?        ?  29.470     ?     ?     ?     ?  ?           1.000  
 93   93  ?             ?       ?  ?        ?        ?  23.270     ?     ?     ?     ?  ?           1.000  
 94   94  ?             ?       ?  ?        ?        ?  14.030     ?     ?     ?     ?  ?           0.500  
 95   95  ?             ?       ?  ?        ?        ?  39.220     ?     ?     ?     ?  ?           1.000  
 96   96  ?             ?       ?  ?        ?        ?  29.160     ?     ?     ?     ?  ?           1.000  
 97   97  ?             ?       ?  ?        ?        ?  41.350     ?     ?     ?     ?  ?           1.000  
 98   98  ?             ?       ?  ?        ?        ?  34.060     ?     ?     ?     ?  ?           1.000  
 99   99  ?             ?       ?  ?        ?        ?  37.210     ?     ?     ?     ?  ?           1.000  
100  100  ?             ?       ?  ?        ?        ?  30.700     ?     ?     ?     ?  ?           1.000  
101  101  ?             ?       ?  ?        ?        ?  24.790     ?     ?     ?     ?  ?           1.000  
102  102  ?             ?       ?  ?        ?        ?  27.840     ?     ?     ?     ?  ?           1.000  
103  103  ?             ?       ?  ?        ?        ?  39.180     ?     ?     ?     ?  ?           0.500  
104  104  ?             ?       ?  ?        ?        ?  30.790     ?     ?     ?     ?  ?           1.000  
105  105  ?             ?       ?  ?        ?        ?  36.060     ?     ?     ?     ?  ?           1.000  
106  106  ?             ?       ?  ?        ?        ?  35.940     ?     ?     ?     ?  ?           1.000  
107  107  ?             ?       ?  ?        ?        ?  31.700     ?     ?     ?     ?  ?           1.000  
108  108  ?             ?       ?  ?        ?        ?  21.060     ?     ?     ?     ?  ?           1.000  
109  109  ?             ?       ?  ?        ?        ?  24.890     ?     ?     ?     ?  ?           1.000  
110  110  ?             ?       ?  ?        ?        ?  34.030     ?     ?     ?     ?  ?           1.000  
111  111  ?             ?       ?  ?        ?        ?  34.940     ?     ?     ?     ?  ?           1.000  
112  112  ?             ?       ?  ?        ?        ?  35.120     ?     ?     ?     ?  ?           1.000  
113  113  ?             ?       ?  ?        ?        ?  37.930     ?     ?     ?     ?  ?           1.000  
114  114  ?             ?       ?  ?        ?        ?  33.900     ?     ?     ?     ?  ?           1.000  
115  115  ?             ?       ?  ?        ?        ?  36.120     ?     ?     ?     ?  ?           1.000  
116  116  ?             ?       ?  ?        ?        ?  34.440     ?     ?     ?     ?  ?           1.000  
#
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   1  N  1  0.45  2.49  
2  63  O  1  0.45  2.49  
#
loop_
_pdbx_vrpt_model_instance_density.ordinal
_pdbx_vrpt_model_instance_density.instance_id
_pdbx_vrpt_model_instance_density.natoms_eds
_pdbx_vrpt_model_instance_density.RSRCC
_pdbx_vrpt_model_instance_density.RSR
_pdbx_vrpt_model_instance_density.RSRZ
  1    1   4  0.851  0.389   5.850  
  2    2   5  0.886  0.202   2.536  
  3    3   8  0.937  0.211   2.470  
  4    4   4  0.899  0.216   2.471  
  5    5   6  0.712  0.282   3.573  
  6    6   7  0.955  0.116   0.574  
  7    7   6  0.860  0.102   0.112  
  8    8   6  0.989  0.050  -0.898  
  9    9   9  0.951  0.076  -0.756  
 10   10   9  0.958  0.078  -0.726  
 11   11   6  0.981  0.061  -0.576  
 12   12   4  0.974  0.093   0.068  
 13   13   4  0.974  0.058  -0.615  
 14   14   4  0.979  0.101   0.225  
 15   15  10  0.948  0.110   0.261  
 16   16   6  0.964  0.064  -0.619  
 17   17   7  0.965  0.073  -0.417  
 18   18   6  0.983  0.049  -0.908  
 19   19   9  0.984  0.078  -0.817  
 20   20   8  0.987  0.062  -0.924  
 21   21   8  0.957  0.114   0.437  
 22   22   8  0.976  0.071  -0.688  
 23   23   6  0.992  0.069  -0.342  
 24   24   8  0.982  0.047  -0.982  
 25   25   9  0.924  0.126  -0.066  
 26   26   6  0.989  0.072  -0.254  
 27   27   8  0.980  0.078  -0.461  
 28   28  11  0.905  0.120   0.070  
 29   29   4  0.992  0.094   0.088  
 30   30  12  0.970  0.094   0.144  
 31   31  10  0.970  0.065  -0.578  
 32   32   8  0.981  0.085  -0.322  
 33   33  11  0.979  0.054  -1.017  
 34   34   6  0.992  0.048  -0.956  
 35   35   8  0.959  0.121   0.620  
 36   36  11  0.970  0.082  -0.562  
 37   37   7  0.954  0.090  -0.071  
 38   38   8  0.969  0.091  -0.166  
 39   39   8  0.969  0.080  -0.453  
 40   40   7  0.974  0.058  -0.722  
 41   41   6  0.978  0.062  -0.658  
 42   42   7  0.952  0.070  -0.627  
 43   43   7  0.951  0.053  -0.823  
 44   44   9  0.906  0.214   1.311  
 45   45   4  0.989  0.067  -0.439  
 46   46   6  0.891  0.108   0.227  
 47   47  14  0.979  0.081  -0.153  
 48   48  11  0.953  0.080  -0.289  
 49   49   6  0.992  0.066  -0.430  
 50   50   7  0.948  0.079  -0.295  
 51   51   6  0.926  0.085  -0.215  
 52   52   6  0.984  0.060  -0.605  
 53   53   6  0.929  0.079  -0.331  
 54   54   8  0.815  0.153   0.930  
 55   55   5  0.953  0.069  -0.459  
 56   56  11  0.969  0.104  -0.196  
 57   57   7  0.978  0.093   0.026  
 58   58   9  0.953  0.075  -0.864  
 59   59   9  0.868  0.157   0.725  
 60   60   7  0.975  0.055  -0.800  
 61   61   5  0.968  0.064  -0.572  
 62   62  11  0.708  0.238   2.033  
 63   63   9  0.929  0.096  -0.535  
 64   64   6  0.743  0.207   2.131  
 65   65  12  0.736  0.230   3.829  
 66   66   1  1.000  0.023       ?  
 67   67   1  0.999  0.034       ?  
 68   68   1  0.966  0.066       ?  
 69   69   1  0.975  0.116       ?  
 70   70   1  0.929  0.218       ?  
 71   71   1  0.883  0.147       ?  
 72   72   1  0.958  0.086       ?  
 73   73   1  0.973  0.119       ?  
 74   74   1  0.736  0.418       ?  
 75   75   1  0.981  0.050       ?  
 76   76   1  0.977  0.110       ?  
 77   77   1  0.962  0.102       ?  
 78   78   1  0.969  0.094       ?  
 79   79   1  0.978  0.078       ?  
 80   80   1  0.987  0.098       ?  
 81   81   1  0.831  0.660       ?  
 82   82   1  0.918  0.109       ?  
 83   83   1  0.982  0.060       ?  
 84   84   1  0.846  0.174       ?  
 85   85   1  0.979  0.102       ?  
 86   86   1  0.994  0.132       ?  
 87   87   1  0.873  0.199       ?  
 88   88   1  0.828  0.148       ?  
 89   89   1  0.968  0.133       ?  
 90   90   1  0.961  0.057       ?  
 91   91   1  0.916  0.147       ?  
 92   92   1  0.944  0.111       ?  
 93   93   1  0.950  0.092       ?  
 94   94   1  0.995  0.145       ?  
 95   95   1  0.814  0.200       ?  
 96   96   1  0.931  0.092       ?  
 97   97   1  0.966  0.099       ?  
 98   98   1  0.784  0.138       ?  
 99   99   1  0.966  0.120       ?  
100  100   1  0.977  0.066       ?  
101  101   1  0.983  0.067       ?  
102  102   1  0.930  0.109       ?  
103  103   1  0.808  0.256       ?  
104  104   1  0.931  0.130       ?  
105  105   1  0.907  0.127       ?  
106  106   1  0.922  0.152       ?  
107  107   1  0.929  0.072       ?  
108  108   1  0.971  0.093       ?  
109  109   1  0.976  0.052       ?  
110  110   1  0.946  0.072       ?  
111  111   1  0.904  0.081       ?  
112  112   1  0.901  0.077       ?  
113  113   1  0.927  0.187       ?  
114  114   1  0.945  0.093       ?  
115  115   1  0.847  0.168       ?  
116  116   1  0.968  0.124       ?  
#
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  eds          2.35.1                                                                Y  
4  dcc          '"2.27  (2023-04-10)"'                                                Y  
5  xtriage      1.13                                                                  Y  
6  percentiles  "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
