data_8I76

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  8I76
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    8I76
_pdbx_vrpt_summary.PDB_deposition_date         2023-01-31
_pdbx_vrpt_summary.PDB_revision_number         1
_pdbx_vrpt_summary.PDB_revision_date           2024-01-31
_pdbx_vrpt_summary.report_creation_date        2024-01-22:11:15
_pdbx_vrpt_summary.attempted_validation_steps  molprobity,validation-pack,xtriage,eds,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  Osteocalcin  
2  water    water        
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  1  
C  2  
D  2  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all    x-ray  
2  1.381  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   58.02  141614     ?     ?  
 2  2  1   39.41    3037  1.36  1.40  
 3  1  2  100.00  138981     ?     ?  
 4  2  2  100.00    2970  1.36  1.40  
 5  1  3  100.00  138945     ?     ?  
 6  2  3  100.00    2969  1.36  1.40  
 7  1  4    4.74  127900     ?     ?  
 8  2  4    4.74    2846  1.36  1.40  
 9  1  5   68.17  130704     ?     ?  
10  2  5   16.70    2907  1.36  1.40  
#
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    7.44  
 6  8  4  A  1  1  A    8.08  
 7  3  2  B  1  1  B  100.00  
 8  4  2  B  1  1  B  100.00  
 9  5  3  B  1  1  B  100.00  
10  6  3  B  1  1  B  100.00  
11  7  4  B  1  1  B    3.12  
12  8  4  B  1  1  B    3.02  
#
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  0.54  0.44  274  368  
2  1  1  B  B  0.51  0.45  291  391  
#
_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                     4.84
_pdbx_vrpt_summary_geometry.num_H_reduce                   488
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 565
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.45
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                759
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.52
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.Babinet_b                 5.000
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            30.281
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         16.709
_pdbx_vrpt_summary_diffraction.I_over_sigma              2.30(1.38A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        13177
_pdbx_vrpt_summary_diffraction.Babinet_k                 0.005
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.380
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.497
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.332
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.961
_pdbx_vrpt_summary_diffraction.twin_fraction             h,-k,-l:0.488
_pdbx_vrpt_summary_diffraction.DCC_R                     0.19
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.22
_pdbx_vrpt_summary_diffraction.EDS_R                     0.19
_pdbx_vrpt_summary_diffraction.EDS_res_high              1.38
_pdbx_vrpt_summary_diffraction.EDS_res_low               42.10
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[14.591,14.591,21.813,0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.425
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 12.24% 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         1
_pdbx_vrpt_summary_diffraction.centric_outliers          0
_pdbx_vrpt_summary_diffraction.data_completeness         98.99
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      659
_pdbx_vrpt_summary_diffraction.percent_free_reflections  5.00
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     11.29
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       1.38
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        23.12
_pdbx_vrpt_summary_diffraction.PDB_R                     0.20
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.22
#
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   6  GLU  A   17  .  ?        1  
  2  1  1  A   7  PRO  A   18  .  ?        ?  
  3  1  1  A   8  LYS  A   19  .  ?        1  
  4  1  1  A   9  ARG  A   20  .  ?        1  
  5  1  1  A  10  GLU  A   21  .  ?        ?  
  6  1  1  A  11  VAL  A   22  .  ?        ?  
  7  1  1  A  12  CYS  A   23  .  ?        ?  
  8  1  1  A  13  GLU  A   24  .  ?        ?  
  9  1  1  A  14  LEU  A   25  .  ?        ?  
 10  1  1  A  15  ASN  A   26  .  ?        ?  
 11  1  1  A  16  PRO  A   27  .  ?        ?  
 12  1  1  A  17  ASP  A   28  .  ?        ?  
 13  1  1  A  18  CYS  A   29  .  ?        ?  
 14  1  1  A  19  ASP  A   30  .  ?        ?  
 15  1  1  A  20  GLU  A   31  A  ?        ?  
 16  1  1  A  20  GLU  A   31  B  ?        ?  
 17  1  1  A  21  LEU  A   32  .  ?        ?  
 18  1  1  A  22  ALA  A   33  .  ?        ?  
 19  1  1  A  23  ASP  A   34  .  ?        ?  
 20  1  1  A  24  HIS  A   35  .  ?        ?  
 21  1  1  A  25  ILE  A   36  .  ?        ?  
 22  1  1  A  26  GLY  A   37  .  ?        ?  
 23  1  1  A  27  PHE  A   38  .  ?        ?  
 24  1  1  A  28  GLN  A   39  .  ?        ?  
 25  1  1  A  29  GLU  A   40  .  ?        ?  
 26  1  1  A  30  ALA  A   41  .  ?        ?  
 27  1  1  A  31  TYR  A   42  .  ?        1  
 28  1  1  A  32  ARG  A   43  .  ?        ?  
 29  1  1  A  33  ARG  A   44  .  ?        ?  
 30  1  1  A  34  PHE  A   45  .  ?        ?  
 31  1  1  A  35  TYR  A   46  .  ?        ?  
 32  1  1  A  36  GLY  A   47  .  ?        ?  
 33  1  1  B   6  GLU  B   17  .  ?        2  
 34  1  1  B   7  PRO  B   18  .  ?        1  
 35  1  1  B   8  LYS  B   19  .  ?        ?  
 36  1  1  B   9  ARG  B   20  .  ?        ?  
 37  1  1  B  10  GLU  B   21  .  ?        1  
 38  1  1  B  11  VAL  B   22  .  ?        ?  
 39  1  1  B  12  CYS  B   23  .  ?        ?  
 40  1  1  B  13  GLU  B   24  .  ?        ?  
 41  1  1  B  14  LEU  B   25  A  ?        ?  
 42  1  1  B  14  LEU  B   25  B  ?        ?  
 43  1  1  B  15  ASN  B   26  .  ?        ?  
 44  1  1  B  16  PRO  B   27  .  ?        ?  
 45  1  1  B  17  ASP  B   28  .  ?        ?  
 46  1  1  B  18  CYS  B   29  .  ?        ?  
 47  1  1  B  19  ASP  B   30  .  ?        ?  
 48  1  1  B  20  GLU  B   31  A  ?        ?  
 49  1  1  B  20  GLU  B   31  B  ?        ?  
 50  1  1  B  21  LEU  B   32  .  ?        ?  
 51  1  1  B  22  ALA  B   33  .  ?        ?  
 52  1  1  B  23  ASP  B   34  .  ?        ?  
 53  1  1  B  24  HIS  B   35  .  ?        ?  
 54  1  1  B  25  ILE  B   36  .  ?        1  
 55  1  1  B  26  GLY  B   37  .  ?        ?  
 56  1  1  B  27  PHE  B   38  .  ?        ?  
 57  1  1  B  28  GLN  B   39  .  ?        ?  
 58  1  1  B  29  GLU  B   40  A  ?        1  
 59  1  1  B  29  GLU  B   40  B  ?        ?  
 60  1  1  B  30  ALA  B   41  .  ?        ?  
 61  1  1  B  31  TYR  B   42  .  ?        ?  
 62  1  1  B  32  ARG  B   43  .  ?        ?  
 63  1  1  B  33  ARG  B   44  .  ?        ?  
 64  1  1  B  34  PHE  B   45  .  ?        ?  
 65  1  1  B  35  TYR  B   46  .  ?        ?  
 66  1  1  B  36  GLY  B   47  .  ?        ?  
 67  1  2  C   .  HOH  A  101  .  ?        ?  
 68  1  2  C   .  HOH  A  102  .  ?        ?  
 69  1  2  C   .  HOH  A  103  .  ?        ?  
 70  1  2  C   .  HOH  A  104  .  ?        ?  
 71  1  2  C   .  HOH  A  105  .  ?        ?  
 72  1  2  C   .  HOH  A  106  .  ?        ?  
 73  1  2  C   .  HOH  A  107  .  ?        ?  
 74  1  2  C   .  HOH  A  108  .  ?        ?  
 75  1  2  C   .  HOH  A  109  .  ?        ?  
 76  1  2  C   .  HOH  A  110  .  ?        ?  
 77  1  2  C   .  HOH  A  111  .  ?        ?  
 78  1  2  C   .  HOH  A  112  .  ?        ?  
 79  1  2  C   .  HOH  A  113  .  ?        ?  
 80  1  2  C   .  HOH  A  114  .  ?        ?  
 81  1  2  C   .  HOH  A  115  .  ?        ?  
 82  1  2  C   .  HOH  A  116  .  ?        ?  
 83  1  2  C   .  HOH  A  117  .  ?        ?  
 84  1  2  C   .  HOH  A  118  .  ?        ?  
 85  1  2  C   .  HOH  A  119  .  ?        ?  
 86  1  2  C   .  HOH  A  120  .  ?        ?  
 87  1  2  C   .  HOH  A  121  .  ?        ?  
 88  1  2  C   .  HOH  A  122  .  ?        ?  
 89  1  2  C   .  HOH  A  123  .  ?        ?  
 90  1  2  D   .  HOH  B  101  .  ?        ?  
 91  1  2  D   .  HOH  B  102  .  ?        ?  
 92  1  2  D   .  HOH  B  103  .  ?        ?  
 93  1  2  D   .  HOH  B  104  .  ?        ?  
 94  1  2  D   .  HOH  B  105  .  ?        ?  
 95  1  2  D   .  HOH  B  106  .  ?        ?  
 96  1  2  D   .  HOH  B  107  .  ?        ?  
 97  1  2  D   .  HOH  B  108  .  ?        ?  
 98  1  2  D   .  HOH  B  109  .  ?        ?  
 99  1  2  D   .  HOH  B  110  .  ?        ?  
100  1  2  D   .  HOH  B  111  .  ?        ?  
101  1  2  D   .  HOH  B  112  .  ?        ?  
102  1  2  D   .  HOH  B  113  .  ?        ?  
103  1  2  D   .  HOH  B  114  .  ?        ?  
104  1  2  D   .  HOH  B  115  .  ?        ?  
105  1  2  D   .  HOH  B  116  .  ?        ?  
106  1  2  D   .  HOH  B  117  .  ?        ?  
107  1  2  D   .  HOH  B  118  .  ?        ?  
108  1  2  D   .  HOH  B  119  .  ?        ?  
109  1  2  D   .  HOH  B  120  .  ?        ?  
110  1  2  D   .  HOH  B  121  .  ?        ?  
111  1  2  D   .  HOH  B  122  .  ?        ?  
112  1  2  D   .  HOH  B  123  .  ?        ?  
#
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.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  mp0           ?      ?  ?           5  47.430     9  0.17    13  0.39  molprobity  1.000  
  2    2  Cg_endo   -60.9  -29.8  Favored     7  36.200     8  0.24    11  0.32  molprobity  1.000  
  3    3  mmtp      -61.1  -52.9  Favored    13  33.290     9  0.27    11  0.42  molprobity  1.000  
  4    4  ttp180    -62.1  -44.4  Favored    13  31.680    11  0.21    14  0.35  molprobity  1.000  
  5    5  mt-10     -50.3  -50.3  Favored     6  29.560     9  0.32    12  0.72  molprobity  1.000  
  6    6  t         -70.3  -48.7  Favored     9  21.090     7  0.38    10  0.49  molprobity  1.000  
  7    7  t         -64.9  -36.6  Favored     4  17.140     6  1.46     8  0.68  molprobity  1.000  
  8    8  mt-10     -61.3  -29.5  Favored     6  31.900     9  0.42    12  0.55  molprobity  1.000  
  9    9  mt        -92.3   25.1  Favored    11  30.170     8  0.41    11  0.76  molprobity  1.000  
 10   10  t-20     -134.3  112.2  Favored     6  27.870     8  0.49    12  0.92  molprobity  1.000  
 11   11  Cg_exo    -55.8  -36.1  Favored     7  24.650     8  0.33    11  0.38  molprobity  1.000  
 12   12  m-20      -69.5  -40.9  Favored     4  25.010     8  0.32    11  0.50  molprobity  1.000  
 13   13  t         -65.9  -43.4  Favored     4  15.910     6  0.79     8  0.80  molprobity  1.000  
 14   14  t70       -61.8  -41.9  Favored     4  18.780     8  0.43    11  0.43  molprobity  1.000  
 15   15  tp10      -58.5  -45.7  Favored     6  22.240     9  0.26    12  0.36  molprobity  1.000  
 16   16  tp10      -58.5  -45.7  Favored     6  22.240     9  0.26    12  0.36  molprobity  1.000  
 17   17  tp        -62.5  -40.3  Favored    11  16.660     8  0.30    11  0.52  molprobity  1.000  
 18   18  ?         -64.5  -30.5  Favored     5  14.140     5  0.20     7  0.34  molprobity  1.000  
 19   19  m-20      -56.2  -30.6  Favored     4  18.510     8  0.47    11  1.23  molprobity  1.000  
 20   20  m-70      -95.9  -36.8  Favored     7  21.070    11  0.37    15  0.46  molprobity  1.000  
 21   21  pt       -126.5    5.2  Favored    11  15.900     8  0.17    11  0.36  molprobity  1.000  
 22   22  ?          85.3  161.8  Favored     3  13.490     4  0.47     5  0.75  molprobity  1.000  
 23   23  m-85      -69.5  -33.4  Favored     9  16.390    12  0.54    16  0.52  molprobity  1.000  
 24   24  mp0       -68.1  -46.0  Favored     8  21.980     9  0.33    12  0.40  molprobity  1.000  
 25   25  mm-40     -67.3  -43.1  Favored     6  22.440     9  0.83    12  0.61  molprobity  1.000  
 26   26  ?         -62.2  -46.3  Favored     5  17.090     5  0.24     7  0.34  molprobity  1.000  
 27   27  t80       -58.3  -45.1  Favored     9  23.170    13  0.38    18  0.41  molprobity  1.000  
 28   28  ttt-85    -60.9  -40.9  Favored    13  29.560    11  0.23    14  0.49  molprobity  1.000  
 29   29  mtt180    -71.8  -26.9  Favored    13  35.930    11  0.25    14  0.38  molprobity  1.000  
 30   30  m-85      -93.4  -38.4  Favored     9  36.970    12  0.53    16  0.39  molprobity  1.000  
 31   31  m-85     -123.3   28.6  Favored     9  34.350    13  0.35    18  0.36  molprobity  1.000  
 32   32  ?             ?      ?  ?           3  47.130     3  0.22     2  0.16  molprobity  1.000  
 33   33  pm0           ?      ?  ?           5  48.780     9  0.61    13  0.64  molprobity  1.000  
 34   34  Cg_exo    -61.4  -37.3  Favored     7  37.200     8  0.29    11  0.39  molprobity  1.000  
 35   35  mtmm      -66.0  -47.3  Favored    13  33.780     9  0.28    11  0.26  molprobity  1.000  
 36   36  ttp85     -60.7  -45.4  Favored    13  31.710    11  0.18    14  0.53  molprobity  1.000  
 37   37  pt-20     -62.7  -36.6  Favored     6  29.100     9  0.27    12  0.45  molprobity  1.000  
 38   38  t         -71.5  -47.1  Favored     9  21.840     7  0.54    10  0.50  molprobity  1.000  
 39   39  t         -69.5  -39.6  Favored     4  17.560     6  1.54     8  0.66  molprobity  1.000  
 40   40  pt-20     -69.0  -19.4  Favored     6  31.930     9  0.37    12  0.51  molprobity  1.000  
 41   41  mt        -96.0   26.9  Favored    11  27.620     8  0.27    11  0.40  molprobity  1.000  
 42   42  mt        -96.0   26.9  Favored    11  27.620     8  0.27    11  0.40  molprobity  1.000  
 43   43  t-20     -135.6  116.5  Favored     5  27.600     8  0.39    12  0.79  molprobity  1.000  
 44   44  Cg_exo    -57.7  -38.1  Favored     7  24.730     8  0.30    11  0.37  molprobity  1.000  
 45   45  m-20      -68.7  -42.2  Favored     4  25.820     8  0.27    11  0.48  molprobity  1.000  
 46   46  t         -64.9  -42.7  Favored     4  16.340     6  0.81     8  0.82  molprobity  1.000  
 47   47  t70       -62.8  -42.6  Favored     4  19.000     8  0.38    11  0.40  molprobity  1.000  
 48   48  tm-20     -59.6  -43.0  Favored     6  22.230     9  0.34    12  0.39  molprobity  1.000  
 49   49  tm-20     -59.6  -43.0  Favored     6  22.230     9  0.34    12  0.39  molprobity  1.000  
 50   50  tp        -62.5  -41.7  Favored    11  16.820     8  0.31    11  0.56  molprobity  1.000  
 51   51  ?         -61.9  -32.7  Favored     5  14.140     5  0.22     7  0.36  molprobity  1.000  
 52   52  m-20      -55.6  -30.0  Favored     4  18.510     8  0.44    11  1.01  molprobity  1.000  
 53   53  m80       -96.4  -36.1  Favored     7  21.080    11  0.42    15  0.49  molprobity  1.000  
 54   54  pt       -127.6    5.5  Favored    11  15.350     8  0.20    11  0.34  molprobity  1.000  
 55   55  ?          85.3  162.2  Favored     3  13.400     4  0.44     5  0.79  molprobity  1.000  
 56   56  m-85      -71.0  -32.8  Favored     9  16.680    12  0.65    16  0.50  molprobity  1.000  
 57   57  mp0       -67.1  -46.0  Favored     8  22.340     9  0.30    12  0.47  molprobity  1.000  
 58   58  tp10      -68.9  -42.2  Favored     6  19.580     9  0.31    12  0.50  molprobity  1.000  
 59   59  tp10      -68.9  -42.2  Favored     6  19.580     9  0.31    12  0.50  molprobity  1.000  
 60   60  ?         -62.3  -46.9  Favored     5  17.530     5  0.29     7  0.32  molprobity  1.000  
 61   61  t80       -58.4  -46.1  Favored     9  22.870    13  0.52    18  0.34  molprobity  1.000  
 62   62  ttt-85    -58.4  -40.7  Favored    13  29.660    11  0.26    14  0.39  molprobity  1.000  
 63   63  mtt180    -75.1  -26.0  Favored    13  34.050    11  0.40    14  0.64  molprobity  1.000  
 64   64  m-85      -91.5  -41.2  Favored     9  36.390    12  0.60    16  0.38  molprobity  1.000  
 65   65  m-85     -119.1   43.0  Favored     9  34.180    13  0.38    18  0.38  molprobity  1.000  
 66   66  ?             ?      ?  ?           3  47.060     3  0.19     2  0.64  molprobity  1.000  
 67   67  ?             ?      ?  ?           ?  44.250     ?     ?     ?     ?  ?           1.000  
 68   68  ?             ?      ?  ?           ?  54.060     ?     ?     ?     ?  ?           1.000  
 69   69  ?             ?      ?  ?           ?  33.430     ?     ?     ?     ?  ?           1.000  
 70   70  ?             ?      ?  ?           ?  26.770     ?     ?     ?     ?  ?           1.000  
 71   71  ?             ?      ?  ?           ?  17.380     ?     ?     ?     ?  ?           1.000  
 72   72  ?             ?      ?  ?           ?  36.640     ?     ?     ?     ?  ?           1.000  
 73   73  ?             ?      ?  ?           ?  42.170     ?     ?     ?     ?  ?           1.000  
 74   74  ?             ?      ?  ?           ?  30.480     ?     ?     ?     ?  ?           1.000  
 75   75  ?             ?      ?  ?           ?  31.670     ?     ?     ?     ?  ?           1.000  
 76   76  ?             ?      ?  ?           ?  42.380     ?     ?     ?     ?  ?           1.000  
 77   77  ?             ?      ?  ?           ?  24.860     ?     ?     ?     ?  ?           1.000  
 78   78  ?             ?      ?  ?           ?  51.610     ?     ?     ?     ?  ?           1.000  
 79   79  ?             ?      ?  ?           ?  41.180     ?     ?     ?     ?  ?           1.000  
 80   80  ?             ?      ?  ?           ?  48.270     ?     ?     ?     ?  ?           1.000  
 81   81  ?             ?      ?  ?           ?  53.120     ?     ?     ?     ?  ?           1.000  
 82   82  ?             ?      ?  ?           ?  49.470     ?     ?     ?     ?  ?           1.000  
 83   83  ?             ?      ?  ?           ?  54.330     ?     ?     ?     ?  ?           1.000  
 84   84  ?             ?      ?  ?           ?  24.200     ?     ?     ?     ?  ?           1.000  
 85   85  ?             ?      ?  ?           ?  42.380     ?     ?     ?     ?  ?           1.000  
 86   86  ?             ?      ?  ?           ?  47.050     ?     ?     ?     ?  ?           1.000  
 87   87  ?             ?      ?  ?           ?  39.660     ?     ?     ?     ?  ?           1.000  
 88   88  ?             ?      ?  ?           ?  42.760     ?     ?     ?     ?  ?           1.000  
 89   89  ?             ?      ?  ?           ?  58.600     ?     ?     ?     ?  ?           1.000  
 90   90  ?             ?      ?  ?           ?  41.070     ?     ?     ?     ?  ?           1.000  
 91   91  ?             ?      ?  ?           ?  32.370     ?     ?     ?     ?  ?           1.000  
 92   92  ?             ?      ?  ?           ?  41.190     ?     ?     ?     ?  ?           1.000  
 93   93  ?             ?      ?  ?           ?  27.610     ?     ?     ?     ?  ?           1.000  
 94   94  ?             ?      ?  ?           ?  41.300     ?     ?     ?     ?  ?           1.000  
 95   95  ?             ?      ?  ?           ?  56.380     ?     ?     ?     ?  ?           1.000  
 96   96  ?             ?      ?  ?           ?  17.590     ?     ?     ?     ?  ?           1.000  
 97   97  ?             ?      ?  ?           ?  30.620     ?     ?     ?     ?  ?           1.000  
 98   98  ?             ?      ?  ?           ?  45.620     ?     ?     ?     ?  ?           1.000  
 99   99  ?             ?      ?  ?           ?  40.440     ?     ?     ?     ?  ?           1.000  
100  100  ?             ?      ?  ?           ?  33.890     ?     ?     ?     ?  ?           1.000  
101  101  ?             ?      ?  ?           ?  39.170     ?     ?     ?     ?  ?           1.000  
102  102  ?             ?      ?  ?           ?  25.280     ?     ?     ?     ?  ?           1.000  
103  103  ?             ?      ?  ?           ?  42.130     ?     ?     ?     ?  ?           1.000  
104  104  ?             ?      ?  ?           ?  43.520     ?     ?     ?     ?  ?           1.000  
105  105  ?             ?      ?  ?           ?  52.680     ?     ?     ?     ?  ?           1.000  
106  106  ?             ?      ?  ?           ?  49.360     ?     ?     ?     ?  ?           1.000  
107  107  ?             ?      ?  ?           ?  48.290     ?     ?     ?     ?  ?           1.000  
108  108  ?             ?      ?  ?           ?  48.680     ?     ?     ?     ?  ?           1.000  
109  109  ?             ?      ?  ?           ?  40.430     ?     ?     ?     ?  ?           1.000  
110  110  ?             ?      ?  ?           ?  29.980     ?     ?     ?     ?  ?           1.000  
111  111  ?             ?      ?  ?           ?  39.230     ?     ?     ?     ?  ?           1.000  
112  112  ?             ?      ?  ?           ?  47.890     ?     ?     ?     ?  ?           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  OE1   1  0.54  2.41  
 2   3  HD2   2  0.45  2.51  
 3   4  NH2   1  0.54  2.41  
 4  27  CD1   2  0.45  2.51  
 5  33  OE1   3  0.47  2.47  
 6  33  N     3  0.47  2.47  
 7  34  O     4  0.44  2.18  
 8  37  HG2   4  0.44  2.18  
 9  54  HD12  5  0.55  1.87  
10  58  HG3   5  0.55  1.87  
#
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   9  0.807  0.134   0.468  
  2    2   7  0.935  0.105   0.656  
  3    3   9  0.927  0.135   0.479  
  4    4  11  0.905  0.122   0.535  
  5    5   9  0.942  0.096  -0.163  
  6    6   7  0.978  0.079   0.073  
  7    7   6  0.993  0.065   0.000  
  8    8   9  0.895  0.119   0.219  
  9    9   8  0.882  0.135   1.838  
 10   10   8  0.938  0.088   0.112  
 11   11   7  0.969  0.089   0.276  
 12   12   8  0.950  0.088   0.007  
 13   13   6  0.992  0.063  -0.071  
 14   14   8  0.971  0.085  -0.048  
 15   15  15  0.925  0.195   1.482  
 16   16  15  0.925  0.195   1.482  
 17   17   8  0.968  0.088   0.287  
 18   18   5  0.983  0.068  -0.126  
 19   19   8  0.968  0.070  -0.326  
 20   20  10  0.962  0.090   0.190  
 21   21   8  0.981  0.089   0.382  
 22   22   4  0.993  0.071  -0.036  
 23   23  11  0.981  0.065  -0.261  
 24   24   9  0.940  0.094   0.017  
 25   25   9  0.956  0.078  -0.462  
 26   26   5  0.990  0.068  -0.126  
 27   27  12  0.969  0.076   0.170  
 28   28  11  0.840  0.137   0.824  
 29   29  11  0.933  0.129   0.670  
 30   30  11  0.798  0.203   4.481  
 31   31  12  0.831  0.164   3.226  
 32   32   4  0.732  0.248   3.977  
 33   33   9  0.834  0.147   0.684  
 34   34   7  0.938  0.103   0.608  
 35   35   9  0.936  0.135   0.479  
 36   36  11  0.889  0.120   0.496  
 37   37   9  0.933  0.096  -0.163  
 38   38   7  0.980  0.078   0.040  
 39   39   6  0.995  0.076   0.390  
 40   40   9  0.849  0.106   0.003  
 41   41  16  0.822  0.164   2.795  
 42   42  16  0.822  0.164   2.795  
 43   43   8  0.916  0.095   0.254  
 44   44   7  0.963  0.093   0.371  
 45   45   8  0.930  0.104   0.304  
 46   46   6  0.993  0.066   0.035  
 47   47   8  0.975  0.075  -0.233  
 48   48  15  0.928  0.194   1.465  
 49   49  15  0.928  0.194   1.465  
 50   50   8  0.973  0.084   0.155  
 51   51   5  0.978  0.067  -0.153  
 52   52   8  0.955  0.085  -0.048  
 53   53  10  0.944  0.104   0.469  
 54   54   8  0.966  0.084   0.200  
 55   55   4  0.994  0.071  -0.036  
 56   56  11  0.980  0.069  -0.124  
 57   57   9  0.953  0.096   0.054  
 58   58  15  0.945  0.118   0.203  
 59   59  15  0.945  0.118   0.203  
 60   60   5  0.985  0.071  -0.046  
 61   61  12  0.957  0.082   0.378  
 62   62  11  0.862  0.134   0.766  
 63   63  11  0.925  0.144   0.959  
 64   64  11  0.816  0.186   3.897  
 65   65  12  0.839  0.153   2.844  
 66   66   4  0.721  0.263   4.317  
 67   67   1  0.957  0.138       ?  
 68   68   1  0.924  0.197       ?  
 69   69   1  0.851  0.120       ?  
 70   70   1  0.987  0.155       ?  
 71   71   1  0.997  0.072       ?  
 72   72   1  0.983  0.098       ?  
 73   73   1  0.918  0.142       ?  
 74   74   1  0.989  0.112       ?  
 75   75   1  0.961  0.089       ?  
 76   76   1  0.969  0.105       ?  
 77   77   1  0.961  0.103       ?  
 78   78   1  0.919  0.097       ?  
 79   79   1  0.845  0.147       ?  
 80   80   1  0.937  0.150       ?  
 81   81   1  0.934  0.148       ?  
 82   82   1  0.869  0.145       ?  
 83   83   1  0.888  0.192       ?  
 84   84   1  0.997  0.129       ?  
 85   85   1  0.811  0.100       ?  
 86   86   1  0.839  0.233       ?  
 87   87   1  0.928  0.079       ?  
 88   88   1  0.964  0.145       ?  
 89   89   1  0.730  0.217       ?  
 90   90   1  0.833  0.115       ?  
 91   91   1  0.911  0.089       ?  
 92   92   1  0.928  0.135       ?  
 93   93   1  0.939  0.165       ?  
 94   94   1  0.978  0.207       ?  
 95   95   1  0.941  0.172       ?  
 96   96   1  0.991  0.102       ?  
 97   97   1  0.984  0.083       ?  
 98   98   1  0.930  0.095       ?  
 99   99   1  0.945  0.102       ?  
100  100   1  0.987  0.055       ?  
101  101   1  0.915  0.107       ?  
102  102   1  0.958  0.077       ?  
103  103   1  0.919  0.154       ?  
104  104   1  0.928  0.088       ?  
105  105   1  0.948  0.131       ?  
106  106   1  0.817  0.153       ?  
107  107   1  0.914  0.111       ?  
108  108   1  0.782  0.126       ?  
109  109   1  0.941  0.076       ?  
110  110   1  0.988  0.057       ?  
111  111   1  0.964  0.167       ?  
112  112   1  0.741  0.228       ?  
#
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  eds          2.36                                                                  Y  
3  dcc          '"2.27  (2023-04-10)"'                                                Y  
4  xtriage      1.13                                                                  Y  
5  percentiles  "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
