data_7YHR

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  7YHR
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    7YHR
_pdbx_vrpt_summary.PDB_deposition_date         2022-07-14
_pdbx_vrpt_summary.PDB_revision_number         2
_pdbx_vrpt_summary.PDB_revision_date           2023-11-29
_pdbx_vrpt_summary.report_creation_date        2023-11-22:15:56
_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  "Anti-CRISPR protein Type I-C5"  
2  water    water  
#
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   x-ray  
2  1.45  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   51.28  141614     ?     ?  
 2  2  1   32.03    1202  1.46  1.46  
 3  1  2  100.00  138981     ?     ?  
 4  2  2  100.00    1178  1.46  1.46  
 5  1  3  100.00  138945     ?     ?  
 6  2  3  100.00    1178  1.46  1.46  
 7  1  4    4.05  127900     ?     ?  
 8  2  4    4.57    1139  1.46  1.46  
 9  1  5   57.97  130704     ?     ?  
10  2  5   11.57    1156  1.46  1.46  
#
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    4.05  
6  8  4  A  1  1  A    4.57  
#
_pdbx_vrpt_summary_entity_geometry.ordinal          1
_pdbx_vrpt_summary_entity_geometry.PDB_model_num    1
_pdbx_vrpt_summary_entity_geometry.entity_id        1
_pdbx_vrpt_summary_entity_geometry.label_asym_id    A
_pdbx_vrpt_summary_entity_geometry.auth_asym_id     A
_pdbx_vrpt_summary_entity_geometry.angles_RMSZ      0.55
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ       0.41
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ   479
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ  648
#
_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                     5.58
_pdbx_vrpt_summary_geometry.num_H_reduce                   425
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 479
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.41
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                648
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.55
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.Babinet_b                 37.856
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            37.205
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         22.002
_pdbx_vrpt_summary_diffraction.I_over_sigma              1.13(1.45A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        12799
_pdbx_vrpt_summary_diffraction.Babinet_k                 0.408
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.380
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.507
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.344
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.958
_pdbx_vrpt_summary_diffraction.twin_fraction             h,-h-k,-l:0.058
_pdbx_vrpt_summary_diffraction.DCC_R                     0.21
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.23
_pdbx_vrpt_summary_diffraction.EDS_R                     0.22
_pdbx_vrpt_summary_diffraction.EDS_res_high              1.45
_pdbx_vrpt_summary_diffraction.EDS_res_low               27.13
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[19.138,19.138,28.600,-0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.424
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 8.28% 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         99.91
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      641
_pdbx_vrpt_summary_diffraction.percent_free_reflections  5.01
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     11.86
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       1.45
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        23.49
_pdbx_vrpt_summary_diffraction.PDB_R                     0.21
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.23
#
loop_
_pdbx_vrpt_model_instance.id
_pdbx_vrpt_model_instance.PDB_model_num
_pdbx_vrpt_model_instance.entity_id
_pdbx_vrpt_model_instance.label_asym_id
_pdbx_vrpt_model_instance.label_seq_id
_pdbx_vrpt_model_instance.label_comp_id
_pdbx_vrpt_model_instance.auth_asym_id
_pdbx_vrpt_model_instance.auth_seq_id
_pdbx_vrpt_model_instance.label_alt_id
_pdbx_vrpt_model_instance.PDB_ins_code
_pdbx_vrpt_model_instance.count_clashes
_pdbx_vrpt_model_instance.count_symm_clashes
  1  1  1  A   2  SER  A    2  .  ?        ?     ?  
  2  1  1  A   3  LYS  A    3  .  ?        ?     ?  
  3  1  1  A   4  VAL  A    4  .  ?        ?     ?  
  4  1  1  A   5  THR  A    5  .  ?        ?     ?  
  5  1  1  A   6  LEU  A    6  .  ?        ?     ?  
  6  1  1  A   7  ASN  A    7  .  ?        ?     ?  
  7  1  1  A   8  GLY  A    8  .  ?        ?     ?  
  8  1  1  A   9  GLN  A    9  .  ?        ?     ?  
  9  1  1  A  10  GLN  A   10  .  ?        ?     ?  
 10  1  1  A  11  ILE  A   11  .  ?        ?     ?  
 11  1  1  A  12  ASP  A   12  .  ?        ?     ?  
 12  1  1  A  13  PHE  A   13  .  ?        ?     ?  
 13  1  1  A  14  ASP  A   14  .  ?        ?     ?  
 14  1  1  A  15  ALA  A   15  .  ?        ?     ?  
 15  1  1  A  16  ALA  A   16  .  ?        ?     ?  
 16  1  1  A  17  VAL  A   17  .  ?        ?     ?  
 17  1  1  A  18  ASN  A   18  .  ?        ?     ?  
 18  1  1  A  19  LEU  A   19  .  ?        ?     ?  
 19  1  1  A  20  MET  A   20  .  ?        ?     ?  
 20  1  1  A  21  ASP  A   21  .  ?        ?     ?  
 21  1  1  A  22  ALA  A   22  .  ?        ?     ?  
 22  1  1  A  23  GLU  A   23  .  ?        ?     ?  
 23  1  1  A  24  LEU  A   24  .  ?        ?     ?  
 24  1  1  A  25  ARG  A   25  .  ?        3     ?  
 25  1  1  A  26  GLU  A   26  .  ?        2     ?  
 26  1  1  A  27  GLU  A   27  .  ?        1     ?  
 27  1  1  A  28  LEU  A   28  .  ?        ?     ?  
 28  1  1  A  29  HIS  A   29  .  ?        ?     ?  
 29  1  1  A  30  SER  A   30  .  ?        ?     ?  
 30  1  1  A  31  ALA  A   31  .  ?        ?     ?  
 31  1  1  A  32  GLN  A   32  .  ?        ?     ?  
 32  1  1  A  33  GLU  A   33  .  ?        ?     ?  
 33  1  1  A  34  TRP  A   34  .  ?        ?     ?  
 34  1  1  A  35  THR  A   35  .  ?        ?     ?  
 35  1  1  A  36  ASN  A   36  .  ?        ?     ?  
 36  1  1  A  37  ASP  A   37  .  ?        ?     ?  
 37  1  1  A  38  GLN  A   38  .  ?        ?     ?  
 38  1  1  A  39  GLU  A   39  .  ?        ?     ?  
 39  1  1  A  40  PHE  A   40  .  ?        ?     ?  
 40  1  1  A  41  LEU  A   41  .  ?        ?     ?  
 41  1  1  A  42  ASP  A   42  .  ?        ?     ?  
 42  1  1  A  43  ALA  A   43  .  ?        ?     ?  
 43  1  1  A  44  TYR  A   44  .  ?        ?     ?  
 44  1  1  A  45  VAL  A   45  .  ?        ?     ?  
 45  1  1  A  46  GLN  A   46  .  ?        ?     ?  
 46  1  1  A  47  ALA  A   47  .  ?        ?     ?  
 47  1  1  A  48  HIS  A   48  .  ?        ?     ?  
 48  1  1  A  49  ALA  A   49  .  ?        ?     ?  
 49  1  1  A  50  ALA  A   50  .  ?        ?     ?  
 50  1  1  A  51  LYS  A   51  .  ?        ?     ?  
 51  1  1  A  52  PHE  A   52  .  ?        ?     ?  
 52  1  1  A  53  ASP  A   53  .  ?        1     ?  
 53  1  1  A  54  GLY  A   54  .  ?        ?     ?  
 54  1  1  A  55  GLU  A   55  .  ?        ?     ?  
 55  1  1  A  56  GLU  A   56  .  ?        ?     ?  
 56  1  1  A  57  PHE  A   57  .  ?        ?     ?  
 57  1  1  A  58  GLN  A   58  .  ?        ?     ?  
 58  1  1  A  59  VAL  A   59  .  ?        ?     ?  
 59  1  1  A  60  ALA  A   60  .  ?        ?     ?  
 60  1  2  B   .  HOH  A  101  .  ?        1     ?  
 61  1  2  B   .  HOH  A  102  .  ?        1     ?  
 62  1  2  B   .  HOH  A  103  .  ?        1     ?  
 63  1  2  B   .  HOH  A  104  .  ?        ?     ?  
 64  1  2  B   .  HOH  A  105  .  ?        ?     ?  
 65  1  2  B   .  HOH  A  106  .  ?        ?     ?  
 66  1  2  B   .  HOH  A  107  .  ?        ?     ?  
 67  1  2  B   .  HOH  A  108  .  ?        ?     ?  
 68  1  2  B   .  HOH  A  109  .  ?        ?     ?  
 69  1  2  B   .  HOH  A  110  .  ?        ?     1  
 70  1  2  B   .  HOH  A  111  .  ?        ?     ?  
 71  1  2  B   .  HOH  A  112  .  ?        ?     ?  
 72  1  2  B   .  HOH  A  113  .  ?        ?     ?  
 73  1  2  B   .  HOH  A  114  .  ?        ?     ?  
 74  1  2  B   .  HOH  A  115  .  ?        ?     ?  
 75  1  2  B   .  HOH  A  116  .  ?        ?     ?  
 76  1  2  B   .  HOH  A  117  .  ?        ?     ?  
 77  1  2  B   .  HOH  A  118  .  ?        ?     ?  
 78  1  2  B   .  HOH  A  119  .  ?        ?     ?  
 79  1  2  B   .  HOH  A  120  .  ?        ?     ?  
 80  1  2  B   .  HOH  A  121  .  ?        ?     ?  
 81  1  2  B   .  HOH  A  122  .  ?        ?     ?  
 82  1  2  B   .  HOH  A  123  .  ?        ?     ?  
 83  1  2  B   .  HOH  A  124  .  ?        ?     ?  
 84  1  2  B   .  HOH  A  125  .  ?        ?     ?  
 85  1  2  B   .  HOH  A  126  .  ?        ?     ?  
 86  1  2  B   .  HOH  A  127  .  ?        ?     ?  
 87  1  2  B   .  HOH  A  128  .  ?        ?     ?  
 88  1  2  B   .  HOH  A  129  .  ?        ?     ?  
 89  1  2  B   .  HOH  A  130  .  ?        ?     ?  
 90  1  2  B   .  HOH  A  131  .  ?        ?     ?  
 91  1  2  B   .  HOH  A  132  .  ?        ?     ?  
 92  1  2  B   .  HOH  A  133  .  ?        ?     ?  
 93  1  2  B   .  HOH  A  134  .  ?        ?     ?  
 94  1  2  B   .  HOH  A  135  .  ?        ?     ?  
 95  1  2  B   .  HOH  A  136  .  ?        ?     1  
 96  1  2  B   .  HOH  A  137  .  ?        ?     ?  
 97  1  2  B   .  HOH  A  138  .  ?        ?     ?  
 98  1  2  B   .  HOH  A  139  .  ?        ?     ?  
 99  1  2  B   .  HOH  A  140  .  ?        ?     ?  
100  1  2  B   .  HOH  A  141  .  ?        ?     ?  
101  1  2  B   .  HOH  A  142  .  ?        ?     ?  
102  1  2  B   .  HOH  A  143  .  ?        ?     ?  
103  1  2  B   .  HOH  A  144  .  ?        ?     ?  
104  1  2  B   .  HOH  A  145  .  ?        ?     ?  
105  1  2  B   .  HOH  A  146  .  ?        ?     ?  
106  1  2  B   .  HOH  A  147  .  ?        ?     ?  
107  1  2  B   .  HOH  A  148  .  ?        ?     ?  
108  1  2  B   .  HOH  A  149  .  ?        ?     ?  
109  1  2  B   .  HOH  A  150  .  ?        ?     ?  
110  1  2  B   .  HOH  A  151  .  ?        ?     ?  
111  1  2  B   .  HOH  A  152  .  ?        ?     ?  
112  1  2  B   .  HOH  A  153  .  ?        ?     ?  
#
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  p           ?      ?  ?           4  21.190     6  0.39     8  0.52  molprobity  1.000  
  2    2  mttm   -102.4  142.8  Favored    13  24.610     9  0.46    11  0.44  molprobity  1.000  
  3    3  m      -130.4  158.9  Favored     9  19.210     7  0.21    10  0.58  molprobity  1.000  
  4    4  m       -98.0  123.7  Favored     7  21.390     7  0.26    10  0.63  molprobity  1.000  
  5    5  tp     -130.5  122.3  Favored    11  23.120     8  0.31    11  0.53  molprobity  1.000  
  6    6  m120     49.9   44.0  Favored     6  28.090     8  0.45    11  0.39  molprobity  1.000  
  7    7  ?        80.2    6.1  Favored     3  22.640     4  0.49     5  0.88  molprobity  1.000  
  8    8  mt-30  -126.2  140.7  Favored     8  26.780     9  0.36    12  0.33  molprobity  1.000  
  9    9  mm-40   -82.0  121.8  Favored     8  26.770     9  0.75    12  0.54  molprobity  1.000  
 10   10  pt     -129.9  158.4  Favored    11  24.810     8  0.17    11  0.60  molprobity  1.000  
 11   11  t70     -68.5  129.2  Favored     4  23.590     8  0.23    11  0.51  molprobity  1.000  
 12   12  t80     -64.9  -42.5  Favored     9  20.380    12  0.30    16  0.36  molprobity  1.000  
 13   13  m-20    -60.1  -37.0  Favored     4  27.480     8  0.33    11  0.39  molprobity  1.000  
 14   14  ?       -64.6  -45.2  Favored     5  24.770     5  0.52     7  0.38  molprobity  1.000  
 15   15  ?       -57.8  -46.6  Favored     5  21.330     5  0.34     7  0.22  molprobity  1.000  
 16   16  t       -59.1  -38.8  Favored     9  21.820     7  0.33    10  0.42  molprobity  1.000  
 17   17  t30     -65.7  -21.1  Favored     6  26.720     8  0.29    11  0.38  molprobity  1.000  
 18   18  mt      -93.9   -4.2  Favored    11  23.650     8  0.29    11  0.70  molprobity  1.000  
 19   19  mtt     -78.2  145.6  Favored     9  18.890     8  0.44    10  0.76  molprobity  1.000  
 20   20  t70     -54.4  132.1  Favored     4  19.490     8  0.26    11  0.56  molprobity  1.000  
 21   21  ?       -66.7  -44.6  Favored     5  19.740     5  0.43     7  0.51  molprobity  1.000  
 22   22  tt0     -61.8  -46.0  Favored     6  28.530     9  0.69    12  0.90  molprobity  1.000  
 23   23  mt      -64.5  -44.3  Favored    11  21.210     8  0.24    11  0.95  molprobity  1.000  
 24   24  tmm_?   -57.4  -44.7  Favored    13  26.920    11  0.43    14  1.03  molprobity  1.000  
 25   25  mm-40   -71.2  -34.1  Favored     6  27.840     9  0.46    12  0.40  molprobity  1.000  
 26   26  tt0     -58.8  -48.6  Favored     6  27.230     9  0.94    12  0.58  molprobity  1.000  
 27   27  mp      -64.3  -41.6  Favored    11  23.290     8  0.30    11  0.75  molprobity  1.000  
 28   28  t-80    -62.1  -38.5  Favored     7  31.940    11  0.21    15  0.23  molprobity  1.000  
 29   29  m       -78.8  -20.6  Favored     5  29.130     6  0.23     8  0.48  molprobity  1.000  
 30   30  ?       -79.8  -29.0  Favored     5  25.290     5  0.30     7  0.54  molprobity  1.000  
 31   31  pt20   -167.6  169.9  Favored     8  27.630     9  0.21    12  0.57  molprobity  1.000  
 32   32  pt-20   -79.9  150.6  Favored     6  38.550     9  0.47    12  0.66  molprobity  1.000  
 33   33  m95    -120.0  129.3  Favored    10  24.450    16  0.38    23  0.51  molprobity  1.000  
 34   34  m       -60.6  -42.6  Favored     7  28.020     7  0.26    10  0.60  molprobity  1.000  
 35   35  p30    -160.8  173.2  Favored     6  22.310     8  0.35    11  0.59  molprobity  1.000  
 36   36  m-20    -69.0  -24.3  Favored     4  20.330     8  0.26    11  0.50  molprobity  1.000  
 37   37  tp60    -68.0  -42.9  Favored     8  18.880     9  0.37    12  0.25  molprobity  1.000  
 38   38  tt0     -60.1  -41.9  Favored     6  26.280     9  0.54    12  0.53  molprobity  1.000  
 39   39  t80     -59.1  -50.4  Favored     9  20.750    12  0.53    16  0.35  molprobity  1.000  
 40   40  tp      -59.2  -45.5  Favored    11  20.170     8  0.26    11  0.42  molprobity  1.000  
 41   41  m-20    -64.2  -38.8  Favored     4  21.050     8  0.50    11  0.39  molprobity  1.000  
 42   42  ?       -66.0  -39.2  Favored     5  19.280     5  0.39     7  0.32  molprobity  1.000  
 43   43  t80     -59.6  -45.1  Favored     9  18.360    13  0.28    18  0.92  molprobity  1.000  
 44   44  t       -57.0  -44.1  Favored     9  21.460     7  0.64    10  0.36  molprobity  1.000  
 45   45  mt-30   -62.9  -44.9  Favored     8  29.950     9  0.49    12  0.39  molprobity  1.000  
 46   46  ?       -66.6  -35.5  Favored     5  22.880     5  0.45     7  0.31  molprobity  1.000  
 47   47  t60     -66.2  -44.2  Favored     7  22.590    11  0.22    15  0.45  molprobity  1.000  
 48   48  ?       -58.9  -40.6  Favored     5  26.400     5  0.27     7  0.48  molprobity  1.000  
 49   49  ?       -68.0  -34.9  Favored     5  27.220     5  0.30     7  0.46  molprobity  1.000  
 50   50  tttt    -78.6  -35.9  Favored    13  25.670     9  0.41    11  0.44  molprobity  1.000  
 51   51  m-85   -112.0   37.7  Favored     9  26.480    12  0.50    16  0.37  molprobity  1.000  
 52   52  m-20     54.7   44.9  Favored     4  35.400     8  0.48    11  0.52  molprobity  1.000  
 53   53  ?        91.5    2.1  Favored     3  32.730     4  0.32     5  0.61  molprobity  1.000  
 54   54  tt0     -60.5  136.1  Favored     6  36.420     9  0.29    12  0.53  molprobity  1.000  
 55   55  mt-10   -86.4  115.7  Favored     6  39.840     9  0.51    12  0.54  molprobity  1.000  
 56   56  t80     -63.1  127.6  Favored     9  25.830    12  0.41    16  0.51  molprobity  1.000  
 57   57  mt-30  -136.5  157.2  Favored     8  38.080     9  0.39    12  0.60  molprobity  1.000  
 58   58  t      -113.7  -53.8  Favored     9  39.870     7  0.30    10  0.52  molprobity  1.000  
 59   59  ?           ?      ?  ?           5  46.720     4  0.36     4  0.57  molprobity  1.000  
 60   60  ?           ?      ?  ?           ?  45.010     ?     ?     ?     ?  ?           1.000  
 61   61  ?           ?      ?  ?           ?  29.370     ?     ?     ?     ?  ?           1.000  
 62   62  ?           ?      ?  ?           ?  34.710     ?     ?     ?     ?  ?           1.000  
 63   63  ?           ?      ?  ?           ?  39.860     ?     ?     ?     ?  ?           1.000  
 64   64  ?           ?      ?  ?           ?  35.330     ?     ?     ?     ?  ?           1.000  
 65   65  ?           ?      ?  ?           ?  36.890     ?     ?     ?     ?  ?           1.000  
 66   66  ?           ?      ?  ?           ?  37.570     ?     ?     ?     ?  ?           1.000  
 67   67  ?           ?      ?  ?           ?  25.640     ?     ?     ?     ?  ?           1.000  
 68   68  ?           ?      ?  ?           ?  30.390     ?     ?     ?     ?  ?           1.000  
 69   69  ?           ?      ?  ?           ?  50.660     ?     ?     ?     ?  ?           1.000  
 70   70  ?           ?      ?  ?           ?  31.920     ?     ?     ?     ?  ?           1.000  
 71   71  ?           ?      ?  ?           ?  31.540     ?     ?     ?     ?  ?           1.000  
 72   72  ?           ?      ?  ?           ?  31.370     ?     ?     ?     ?  ?           1.000  
 73   73  ?           ?      ?  ?           ?  33.840     ?     ?     ?     ?  ?           1.000  
 74   74  ?           ?      ?  ?           ?  42.120     ?     ?     ?     ?  ?           1.000  
 75   75  ?           ?      ?  ?           ?  48.320     ?     ?     ?     ?  ?           1.000  
 76   76  ?           ?      ?  ?           ?  29.530     ?     ?     ?     ?  ?           1.000  
 77   77  ?           ?      ?  ?           ?  26.830     ?     ?     ?     ?  ?           1.000  
 78   78  ?           ?      ?  ?           ?  29.560     ?     ?     ?     ?  ?           1.000  
 79   79  ?           ?      ?  ?           ?  23.510     ?     ?     ?     ?  ?           1.000  
 80   80  ?           ?      ?  ?           ?  28.250     ?     ?     ?     ?  ?           1.000  
 81   81  ?           ?      ?  ?           ?  32.980     ?     ?     ?     ?  ?           1.000  
 82   82  ?           ?      ?  ?           ?  28.050     ?     ?     ?     ?  ?           1.000  
 83   83  ?           ?      ?  ?           ?  24.380     ?     ?     ?     ?  ?           1.000  
 84   84  ?           ?      ?  ?           ?  27.340     ?     ?     ?     ?  ?           1.000  
 85   85  ?           ?      ?  ?           ?  26.850     ?     ?     ?     ?  ?           1.000  
 86   86  ?           ?      ?  ?           ?  38.110     ?     ?     ?     ?  ?           1.000  
 87   87  ?           ?      ?  ?           ?  37.310     ?     ?     ?     ?  ?           1.000  
 88   88  ?           ?      ?  ?           ?  25.380     ?     ?     ?     ?  ?           1.000  
 89   89  ?           ?      ?  ?           ?  27.780     ?     ?     ?     ?  ?           1.000  
 90   90  ?           ?      ?  ?           ?  32.750     ?     ?     ?     ?  ?           1.000  
 91   91  ?           ?      ?  ?           ?  30.510     ?     ?     ?     ?  ?           1.000  
 92   92  ?           ?      ?  ?           ?  28.050     ?     ?     ?     ?  ?           1.000  
 93   93  ?           ?      ?  ?           ?  30.380     ?     ?     ?     ?  ?           1.000  
 94   94  ?           ?      ?  ?           ?  30.360     ?     ?     ?     ?  ?           1.000  
 95   95  ?           ?      ?  ?           ?  37.780     ?     ?     ?     ?  ?           1.000  
 96   96  ?           ?      ?  ?           ?  31.880     ?     ?     ?     ?  ?           1.000  
 97   97  ?           ?      ?  ?           ?  31.490     ?     ?     ?     ?  ?           1.000  
 98   98  ?           ?      ?  ?           ?  32.600     ?     ?     ?     ?  ?           1.000  
 99   99  ?           ?      ?  ?           ?  33.520     ?     ?     ?     ?  ?           1.000  
100  100  ?           ?      ?  ?           ?  38.710     ?     ?     ?     ?  ?           1.000  
101  101  ?           ?      ?  ?           ?  36.550     ?     ?     ?     ?  ?           1.000  
102  102  ?           ?      ?  ?           ?  31.950     ?     ?     ?     ?  ?           1.000  
103  103  ?           ?      ?  ?           ?  28.770     ?     ?     ?     ?  ?           1.000  
104  104  ?           ?      ?  ?           ?  32.420     ?     ?     ?     ?  ?           1.000  
105  105  ?           ?      ?  ?           ?  38.440     ?     ?     ?     ?  ?           1.000  
106  106  ?           ?      ?  ?           ?  33.400     ?     ?     ?     ?  ?           1.000  
107  107  ?           ?      ?  ?           ?  36.840     ?     ?     ?     ?  ?           1.000  
108  108  ?           ?      ?  ?           ?  35.330     ?     ?     ?     ?  ?           1.000  
109  109  ?           ?      ?  ?           ?  41.280     ?     ?     ?     ?  ?           1.000  
110  110  ?           ?      ?  ?           ?  36.610     ?     ?     ?     ?  ?           1.000  
111  111  ?           ?      ?  ?           ?  42.380     ?     ?     ?     ?  ?           1.000  
112  112  ?           ?      ?  ?           ?  46.090     ?     ?     ?     ?  ?           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  24  NH2   1  0.72  2.22  
 2  24  HH11  2  0.46  1.81  
 3  24  NH1   3  0.45  2.32  
 4  25  HG2   2  0.46  1.81  
 5  25  HG2   3  0.45  2.32  
 6  26  OE2   4  0.59  2.16  
 7  52  OD2   5  0.64  2.15  
 8  60  O     5  0.64  2.15  
 9  61  O     4  0.59  2.16  
10  62  O     1  0.72  2.22  
#
loop_
_pdbx_vrpt_instance_symm_clashes.ordinal
_pdbx_vrpt_instance_symm_clashes.instance_id
_pdbx_vrpt_instance_symm_clashes.label_atom_id
_pdbx_vrpt_instance_symm_clashes.scid
_pdbx_vrpt_instance_symm_clashes.symop
_pdbx_vrpt_instance_symm_clashes.clashmag
_pdbx_vrpt_instance_symm_clashes.dist
1  69  O  0  1_555  0.34  1.86  
2  95  O  0  5_554  0.34  1.86  
#
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   6  0.966  0.089   0.020  
  2    2   9  0.910  0.141   0.348  
  3    3   7  0.922  0.107   0.631  
  4    4   7  0.948  0.116   0.769  
  5    5   8  0.959  0.132   1.298  
  6    6   8  0.876  0.125   0.625  
  7    7   4  0.885  0.116   0.729  
  8    8   9  0.933  0.102  -0.053  
  9    9   9  0.847  0.145   0.701  
 10   10   8  0.940  0.100   0.367  
 11   11   8  0.947  0.086  -0.201  
 12   12  11  0.942  0.103   0.689  
 13   13   8  0.919  0.112   0.257  
 14   14   5  0.881  0.110   0.679  
 15   15   5  0.918  0.129   1.145  
 16   16   7  0.958  0.101   0.450  
 17   17   8  0.898  0.112   0.375  
 18   18   8  0.935  0.117   0.846  
 19   19   8  0.971  0.138   1.039  
 20   20   8  0.967  0.099   0.028  
 21   21   5  0.962  0.107   0.605  
 22   22   9  0.840  0.160   0.652  
 23   23   8  0.961  0.118   0.877  
 24   24  11  0.853  0.210   1.784  
 25   25   9  0.838  0.189   1.101  
 26   26   9  0.875  0.142   0.373  
 27   27   8  0.918  0.118   0.877  
 28   28  10  0.717  0.207   2.325  
 29   29   6  0.925  0.111   0.462  
 30   30   5  0.895  0.091   0.213  
 31   31   9  0.921  0.084  -0.368  
 32   32   9  0.713  0.286   2.602  
 33   33  14  0.927  0.094   0.557  
 34   34   7  0.905  0.117   0.793  
 35   35   8  0.954  0.085  -0.142  
 36   36   8  0.949  0.102   0.081  
 37   37   9  0.942  0.102  -0.053  
 38   38   9  0.900  0.163   0.698  
 39   39  11  0.958  0.109   0.879  
 40   40   8  0.953  0.154   1.961  
 41   41   8  0.964  0.100   0.046  
 42   42   5  0.968  0.104   0.532  
 43   43  12  0.961  0.121   1.243  
 44   44   7  0.942  0.124   1.141  
 45   45   9  0.855  0.169   1.121  
 46   46   5  0.895  0.096   0.336  
 47   47  10  0.952  0.086  -0.061  
 48   48   5  0.931  0.101   0.458  
 49   49   5  0.869  0.157   1.831  
 50   50   9  0.888  0.096  -0.405  
 51   51  11  0.899  0.110   0.911  
 52   52   8  0.754  0.283   3.273  
 53   53   4  0.830  0.218   2.886  
 54   54   9  0.784  0.153   0.543  
 55   55   9  0.712  0.291   2.680  
 56   56  11  0.916  0.127   1.451  
 57   57   9  0.880  0.173   1.191  
 58   58   7  0.594  0.215   3.874  
 59   59   5  0.708  0.396   7.689  
 60   60   1  0.844  0.359       ?  
 61   61   1  0.962  0.215       ?  
 62   62   1  0.899  0.337       ?  
 63   63   1  0.791  0.105       ?  
 64   64   1  0.877  0.449       ?  
 65   65   1  0.877  0.206       ?  
 66   66   1  0.856  0.220       ?  
 67   67   1  0.944  0.112       ?  
 68   68   1  0.930  0.216       ?  
 69   69   1  0.864  0.304       ?  
 70   70   1  0.937  0.235       ?  
 71   71   1  0.918  0.108       ?  
 72   72   1  0.919  0.321       ?  
 73   73   1  0.903  0.345       ?  
 74   74   1  0.716  0.217       ?  
 75   75   1  0.862  0.303       ?  
 76   76   1  0.895  0.248       ?  
 77   77   1  0.975  0.075       ?  
 78   78   1  0.890  0.273       ?  
 79   79   1  0.983  0.092       ?  
 80   80   1  0.952  0.164       ?  
 81   81   1  0.918  0.117       ?  
 82   82   1  0.958  0.081       ?  
 83   83   1  0.960  0.096       ?  
 84   84   1  0.945  0.127       ?  
 85   85   1  0.981  0.224       ?  
 86   86   1  0.897  0.211       ?  
 87   87   1  0.921  0.093       ?  
 88   88   1  0.950  0.118       ?  
 89   89   1  0.928  0.082       ?  
 90   90   1  0.883  0.271       ?  
 91   91   1  0.923  0.170       ?  
 92   92   1  0.937  0.129       ?  
 93   93   1  0.950  0.123       ?  
 94   94   1  0.939  0.098       ?  
 95   95   1  0.725  0.186       ?  
 96   96   1  0.893  0.115       ?  
 97   97   1  0.957  0.057       ?  
 98   98   1  0.874  0.205       ?  
 99   99   1  0.860  0.215       ?  
100  100   1  0.942  0.103       ?  
101  101   1  0.924  0.088       ?  
102  102   1  0.917  0.149       ?  
103  103   1  0.923  0.106       ?  
104  104   1  0.894  0.178       ?  
105  105   1  0.894  0.132       ?  
106  106   1  0.941  0.132       ?  
107  107   1  0.890  0.101       ?  
108  108   1  0.868  0.157       ?  
109  109   1  0.905  0.167       ?  
110  110   1  0.818  0.135       ?  
111  111   1  0.639  0.307       ?  
112  112   1  0.862  0.396       ?  
#
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  
##
