data_5B1G

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  5B1G
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    5B1G
_pdbx_vrpt_summary.PDB_deposition_date         2015-12-03
_pdbx_vrpt_summary.PDB_revision_number         3
_pdbx_vrpt_summary.PDB_revision_date           2023-09-06
_pdbx_vrpt_summary.report_creation_date        2023-08-28:05:09
_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      "Lysozyme C"  
2  non-polymer  "SODIUM ION"  
3  non-polymer  "CHLORIDE ION"  
4  water        water  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  2  
C  3  
D  4  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all  x-ray  
2  2.3  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   64.74  141614     ?     ?  
 2  2  1   73.51    5643  2.30  2.30  
 3  1  2  100.00  138981     ?     ?  
 4  2  2  100.00    5575  2.30  2.30  
 5  1  3   75.87  138945     ?     ?  
 6  2  3   87.19    5575  2.30  2.30  
 7  1  4   85.69  127900     ?     ?  
 8  2  4   89.29    4938  2.30  2.30  
 9  1  5   77.02  130704     ?     ?  
10  2  5   93.38    5042  2.30  2.30  
#
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   75.87  
4  6  3  A  1  1  A   87.19  
5  7  4  A  1  1  A   85.69  
6  8  4  A  1  1  A   89.29  
#
_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      0.58
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ       0.47
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ   1021
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ  1379
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  0.00
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       0.95
_pdbx_vrpt_summary_geometry.clashscore                     4.08
_pdbx_vrpt_summary_geometry.num_H_reduce                   958
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 1021
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.47
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                1379
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.58
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.Babinet_b                 400.000
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            44.199
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         37.036
_pdbx_vrpt_summary_diffraction.I_over_sigma              7.47(2.31A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        5983
_pdbx_vrpt_summary_diffraction.Babinet_k                 0.125
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.310
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.462
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.296
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.947
_pdbx_vrpt_summary_diffraction.DCC_R                     0.18
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.21
_pdbx_vrpt_summary_diffraction.EDS_R                     0.19
_pdbx_vrpt_summary_diffraction.EDS_res_high              2.30
_pdbx_vrpt_summary_diffraction.EDS_res_low               28.39
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[35.193,35.193,40.987,0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.156
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 8.02% 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         100.00
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      287
_pdbx_vrpt_summary_diffraction.percent_free_reflections  4.80
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     0.78
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       2.30
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        28.39
_pdbx_vrpt_summary_diffraction.PDB_R                     0.18
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.21
#
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  LYS  A     1  .  ?        ?  
  2  1  1  A    2  VAL  A     2  .  ?        ?  
  3  1  1  A    3  PHE  A     3  .  ?        ?  
  4  1  1  A    4  GLY  A     4  .  ?        ?  
  5  1  1  A    5  ARG  A     5  .  ?        ?  
  6  1  1  A    6  CYS  A     6  .  ?        ?  
  7  1  1  A    7  GLU  A     7  .  ?        ?  
  8  1  1  A    8  LEU  A     8  .  ?        ?  
  9  1  1  A    9  ALA  A     9  .  ?        ?  
 10  1  1  A   10  ALA  A    10  .  ?        ?  
 11  1  1  A   11  ALA  A    11  .  ?        ?  
 12  1  1  A   12  MET  A    12  .  ?        1  
 13  1  1  A   13  LYS  A    13  .  ?        ?  
 14  1  1  A   14  ARG  A    14  .  ?        ?  
 15  1  1  A   15  HIS  A    15  .  ?        ?  
 16  1  1  A   16  GLY  A    16  .  ?        ?  
 17  1  1  A   17  LEU  A    17  .  ?        1  
 18  1  1  A   18  ASP  A    18  .  ?        ?  
 19  1  1  A   19  ASN  A    19  .  ?        ?  
 20  1  1  A   20  TYR  A    20  .  ?        ?  
 21  1  1  A   21  ARG  A    21  .  ?        ?  
 22  1  1  A   22  GLY  A    22  .  ?        ?  
 23  1  1  A   23  TYR  A    23  .  ?        ?  
 24  1  1  A   24  SER  A    24  .  ?        ?  
 25  1  1  A   25  LEU  A    25  .  ?        ?  
 26  1  1  A   26  GLY  A    26  .  ?        ?  
 27  1  1  A   27  ASN  A    27  .  ?        ?  
 28  1  1  A   28  TRP  A    28  .  ?        ?  
 29  1  1  A   29  VAL  A    29  .  ?        ?  
 30  1  1  A   30  CYS  A    30  .  ?        ?  
 31  1  1  A   31  ALA  A    31  .  ?        ?  
 32  1  1  A   32  ALA  A    32  .  ?        ?  
 33  1  1  A   33  LYS  A    33  .  ?        ?  
 34  1  1  A   34  PHE  A    34  .  ?        ?  
 35  1  1  A   35  GLU  A    35  .  ?        ?  
 36  1  1  A   36  SER  A    36  .  ?        ?  
 37  1  1  A   37  ASN  A    37  .  ?        ?  
 38  1  1  A   38  PHE  A    38  .  ?        ?  
 39  1  1  A   39  ASN  A    39  .  ?        ?  
 40  1  1  A   40  THR  A    40  .  ?        ?  
 41  1  1  A   41  GLN  A    41  .  ?        ?  
 42  1  1  A   42  ALA  A    42  .  ?        ?  
 43  1  1  A   43  THR  A    43  .  ?        ?  
 44  1  1  A   44  ASN  A    44  .  ?        ?  
 45  1  1  A   45  ARG  A    45  .  ?        ?  
 46  1  1  A   46  ASN  A    46  .  ?        ?  
 47  1  1  A   47  THR  A    47  .  ?        ?  
 48  1  1  A   48  ASP  A    48  .  ?        6  
 49  1  1  A   49  GLY  A    49  .  ?        ?  
 50  1  1  A   50  SER  A    50  .  ?        ?  
 51  1  1  A   51  THR  A    51  .  ?        ?  
 52  1  1  A   52  ASP  A    52  .  ?        ?  
 53  1  1  A   53  TYR  A    53  .  ?        ?  
 54  1  1  A   54  GLY  A    54  .  ?        ?  
 55  1  1  A   55  ILE  A    55  .  ?        ?  
 56  1  1  A   56  LEU  A    56  .  ?        ?  
 57  1  1  A   57  GLN  A    57  .  ?        ?  
 58  1  1  A   58  ILE  A    58  .  ?        ?  
 59  1  1  A   59  ASN  A    59  .  ?        ?  
 60  1  1  A   60  SER  A    60  .  ?        ?  
 61  1  1  A   61  ARG  A    61  .  ?        6  
 62  1  1  A   62  TRP  A    62  .  ?        ?  
 63  1  1  A   63  TRP  A    63  .  ?        ?  
 64  1  1  A   64  CYS  A    64  .  ?        ?  
 65  1  1  A   65  ASN  A    65  .  ?        ?  
 66  1  1  A   66  ASP  A    66  .  ?        ?  
 67  1  1  A   67  GLY  A    67  .  ?        ?  
 68  1  1  A   68  ARG  A    68  .  ?        ?  
 69  1  1  A   69  THR  A    69  .  ?        ?  
 70  1  1  A   70  PRO  A    70  .  ?        ?  
 71  1  1  A   71  GLY  A    71  .  ?        ?  
 72  1  1  A   72  SER  A    72  .  ?        ?  
 73  1  1  A   73  ARG  A    73  .  ?        ?  
 74  1  1  A   74  ASN  A    74  .  ?        ?  
 75  1  1  A   75  LEU  A    75  .  ?        ?  
 76  1  1  A   76  CYS  A    76  .  ?        ?  
 77  1  1  A   77  ASN  A    77  .  ?        ?  
 78  1  1  A   78  ILE  A    78  .  ?        ?  
 79  1  1  A   79  PRO  A    79  .  ?        ?  
 80  1  1  A   80  CYS  A    80  .  ?        ?  
 81  1  1  A   81  SER  A    81  .  ?        ?  
 82  1  1  A   82  ALA  A    82  .  ?        ?  
 83  1  1  A   83  LEU  A    83  .  ?        ?  
 84  1  1  A   84  LEU  A    84  .  ?        ?  
 85  1  1  A   85  SER  A    85  .  ?        ?  
 86  1  1  A   86  SER  A    86  .  ?        ?  
 87  1  1  A   87  ASP  A    87  .  ?        ?  
 88  1  1  A   88  ILE  A    88  .  ?        ?  
 89  1  1  A   89  THR  A    89  .  ?        ?  
 90  1  1  A   90  ALA  A    90  .  ?        ?  
 91  1  1  A   91  SER  A    91  .  ?        ?  
 92  1  1  A   92  VAL  A    92  .  ?        ?  
 93  1  1  A   93  ASN  A    93  .  ?        ?  
 94  1  1  A   94  CYS  A    94  .  ?        ?  
 95  1  1  A   95  ALA  A    95  .  ?        ?  
 96  1  1  A   96  LYS  A    96  .  ?        ?  
 97  1  1  A   97  LYS  A    97  .  ?        ?  
 98  1  1  A   98  ILE  A    98  .  ?        ?  
 99  1  1  A   99  VAL  A    99  .  ?        ?  
100  1  1  A  100  SER  A   100  .  ?        ?  
101  1  1  A  101  ASP  A   101  .  ?        2  
102  1  1  A  102  GLY  A   102  .  ?        ?  
103  1  1  A  103  ASN  A   103  .  ?        ?  
104  1  1  A  104  GLY  A   104  .  ?        ?  
105  1  1  A  105  MET  A   105  .  ?        ?  
106  1  1  A  106  ASN  A   106  .  ?        ?  
107  1  1  A  107  ALA  A   107  .  ?        ?  
108  1  1  A  108  TRP  A   108  .  ?        ?  
109  1  1  A  109  VAL  A   109  .  ?        ?  
110  1  1  A  110  ALA  A   110  .  ?        ?  
111  1  1  A  111  TRP  A   111  .  ?        ?  
112  1  1  A  112  ARG  A   112  .  ?        ?  
113  1  1  A  113  ASN  A   113  .  ?        ?  
114  1  1  A  114  ARG  A   114  .  ?        ?  
115  1  1  A  115  CYS  A   115  .  ?        ?  
116  1  1  A  116  LYS  A   116  .  ?        ?  
117  1  1  A  117  GLY  A   117  .  ?        ?  
118  1  1  A  118  THR  A   118  .  ?        ?  
119  1  1  A  119  ASP  A   119  .  ?        ?  
120  1  1  A  120  VAL  A   120  .  ?        ?  
121  1  1  A  121  GLN  A   121  .  ?        ?  
122  1  1  A  122  ALA  A   122  .  ?        ?  
123  1  1  A  123  TRP  A   123  .  ?        ?  
124  1  1  A  124  ILE  A   124  .  ?        ?  
125  1  1  A  125  ARG  A   125  .  ?        ?  
126  1  1  A  126  GLY  A   126  .  ?        ?  
127  1  1  A  127  CYS  A   127  .  ?        ?  
128  1  1  A  128  ARG  A   128  .  ?        ?  
129  1  1  A  129  LEU  A   129  .  ?        ?  
130  1  2  B    .  NA   A  1001  .  ?        ?  
131  1  3  C    .  CL   A  1002  .  ?        ?  
132  1  4  D    .  HOH  A  1101  .  ?        ?  
133  1  4  D    .  HOH  A  1102  .  ?        ?  
134  1  4  D    .  HOH  A  1103  .  ?        ?  
135  1  4  D    .  HOH  A  1104  .  ?        ?  
136  1  4  D    .  HOH  A  1105  .  ?        ?  
137  1  4  D    .  HOH  A  1106  .  ?        ?  
138  1  4  D    .  HOH  A  1107  .  ?        ?  
139  1  4  D    .  HOH  A  1108  .  ?        ?  
140  1  4  D    .  HOH  A  1109  .  ?        ?  
141  1  4  D    .  HOH  A  1110  .  ?        ?  
142  1  4  D    .  HOH  A  1111  .  ?        ?  
143  1  4  D    .  HOH  A  1112  .  ?        ?  
144  1  4  D    .  HOH  A  1113  .  ?        ?  
145  1  4  D    .  HOH  A  1114  .  ?        ?  
146  1  4  D    .  HOH  A  1115  .  ?        ?  
147  1  4  D    .  HOH  A  1116  .  ?        ?  
148  1  4  D    .  HOH  A  1117  .  ?        ?  
149  1  4  D    .  HOH  A  1118  .  ?        ?  
150  1  4  D    .  HOH  A  1119  .  ?        ?  
151  1  4  D    .  HOH  A  1120  .  ?        ?  
152  1  4  D    .  HOH  A  1121  .  ?        ?  
153  1  4  D    .  HOH  A  1122  .  ?        ?  
154  1  4  D    .  HOH  A  1123  .  ?        ?  
155  1  4  D    .  HOH  A  1124  .  ?        ?  
156  1  4  D    .  HOH  A  1125  .  ?        ?  
157  1  4  D    .  HOH  A  1126  .  ?        ?  
158  1  4  D    .  HOH  A  1127  .  ?        ?  
159  1  4  D    .  HOH  A  1128  .  ?        ?  
160  1  4  D    .  HOH  A  1129  .  ?        ?  
161  1  4  D    .  HOH  A  1130  .  ?        ?  
#
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  tttm          ?       ?  ?          15  36.340     9  0.35    11  0.33  molprobity  1.000  
  2    2  t        -104.3   105.8  Favored     9  34.850     7  0.20    10  0.39  molprobity  1.000  
  3    3  m-85      -68.5   151.0  Favored     9  36.260    12  0.57    16  0.41  molprobity  1.000  
  4    4  ?         -80.8   161.4  Favored     3  36.170     4  0.64     5  0.67  molprobity  1.000  
  5    5  ttp85     -61.7   -54.2  Favored    13  37.360    11  0.50    14  0.70  molprobity  1.000  
  6    6  m         -69.7   -34.8  Favored     4  34.210     6  0.32     8  0.27  molprobity  1.000  
  7    7  tt0       -58.5   -44.6  Favored     6  39.310     9  0.52    12  0.44  molprobity  1.000  
  8    8  tp        -69.8   -35.4  Favored    11  33.400     8  0.34    11  0.29  molprobity  1.000  
  9    9  ?         -60.2   -48.7  Favored     5  32.320     5  0.47     7  0.26  molprobity  1.000  
 10   10  ?         -61.9   -43.0  Favored     5  35.400     5  0.31     7  0.25  molprobity  1.000  
 11   11  ?         -63.4   -40.5  Favored     5  34.890     5  0.47     7  0.31  molprobity  1.000  
 12   12  mtt       -66.9   -44.1  Favored     9  34.020     8  0.47    10  0.33  molprobity  1.000  
 13   13  tttt      -58.2   -46.1  Favored    13  43.820     9  0.29    11  0.42  molprobity  1.000  
 14   14  ttt180    -61.1   -30.7  Favored    13  47.440    11  0.21    14  0.50  molprobity  1.000  
 15   15  m80       -89.8    12.4  Favored     7  40.060    11  0.27    15  0.42  molprobity  1.000  
 16   16  ?          90.2    15.1  Favored     3  38.930     4  0.62     5  1.14  molprobity  1.000  
 17   17  mt        -88.8   -18.1  Favored    11  35.930     8  0.32    11  1.14  molprobity  1.000  
 18   18  t0        -66.3   119.6  Favored     4  39.380     8  0.43    11  0.79  molprobity  1.000  
 19   19  m-80       69.0    13.3  Favored     6  41.310     8  0.44    11  0.79  molprobity  1.000  
 20   20  t80       -63.2   122.7  Favored     9  37.900    13  0.41    18  0.42  molprobity  1.000  
 21   21  mtp180     49.0    35.0  Favored    13  46.760    11  1.10    14  0.71  molprobity  1.000  
 22   22  ?          86.3     8.6  Favored     3  32.400     4  0.55     5  0.91  molprobity  1.000  
 23   23  m-85     -104.5   113.2  Favored     9  29.990    13  0.56    18  0.28  molprobity  1.000  
 24   24  p         -64.3   159.8  Favored     5  31.850     6  0.33     8  0.35  molprobity  1.000  
 25   25  tp        -56.5   -34.9  Favored    11  32.340     8  0.29    11  0.39  molprobity  1.000  
 26   26  ?         -55.4   -35.1  Favored     3  27.950     4  0.47     5  0.49  molprobity  1.000  
 27   27  m-80      -63.3   -43.7  Favored     6  28.010     8  0.75    11  0.37  molprobity  1.000  
 28   28  m95       -68.0   -40.8  Favored    10  29.240    16  0.32    23  0.18  molprobity  1.000  
 29   29  t         -65.2   -44.4  Favored     9  27.120     7  0.54    10  0.37  molprobity  1.000  
 30   30  t         -58.9   -44.9  Favored     4  25.600     6  0.28     8  0.38  molprobity  1.000  
 31   31  ?         -63.8   -40.3  Favored     5  27.860     5  0.35     7  0.38  molprobity  1.000  
 32   32  ?         -65.5   -36.4  Favored     5  28.910     5  0.32     7  0.21  molprobity  1.000  
 33   33  tptt      -57.9   -48.2  Favored    13  34.140     9  0.35    11  0.53  molprobity  1.000  
 34   34  m-85      -91.6   -15.7  Favored     9  30.760    12  0.48    16  0.50  molprobity  1.000  
 35   35  mm-40     -80.0   -43.6  Favored     6  31.340     9  0.97    12  0.60  molprobity  1.000  
 36   36  p        -135.2    -2.3  Favored     5  28.380     6  0.40     8  0.72  molprobity  1.000  
 37   37  t30        55.4    36.6  Favored     6  35.380     8  0.24    11  0.35  molprobity  1.000  
 38   38  m-85       68.6    20.4  Favored     9  31.550    12  0.77    16  0.41  molprobity  1.000  
 39   39  t30      -106.8   118.7  Favored     6  31.080     8  0.71    11  0.33  molprobity  1.000  
 40   40  p         -67.9   -19.8  Favored     7  30.490     7  0.55    10  0.73  molprobity  1.000  
 41   41  mt-30     -93.2     6.4  Favored     8  32.510     9  0.30    12  0.62  molprobity  1.000  
 42   42  ?         -68.7   131.3  Favored     5  31.190     5  0.78     7  0.61  molprobity  1.000  
 43   43  p        -129.9   144.0  Favored     7  32.520     7  0.44    10  0.67  molprobity  1.000  
 44   44  m-80     -145.8   133.1  Favored     6  37.480     8  0.29    11  0.45  molprobity  1.000  
 45   45  tpt180    -91.7   133.9  Favored    13  41.790    11  0.39    14  0.67  molprobity  1.000  
 46   46  m-20      -97.0   165.0  Favored     6  40.590     8  0.38    11  0.31  molprobity  1.000  
 47   47  p         -61.6   -31.5  Favored     7  46.250     7  0.32    10  0.85  molprobity  1.000  
 48   48  p30       -81.8     6.0  Favored     4  45.170     8  0.32    11  0.68  molprobity  1.000  
 49   49  ?          89.2   -10.1  Favored     3  40.640     4  0.52     5  0.72  molprobity  1.000  
 50   50  p         -74.3   167.1  Favored     5  36.160     6  0.34     8  0.40  molprobity  1.000  
 51   51  m        -132.6   147.8  Favored     7  32.280     7  0.60    10  0.54  molprobity  1.000  
 52   52  m-20     -102.2   137.1  Favored     4  33.280     8  0.27    11  0.86  molprobity  1.000  
 53   53  m-85     -129.0   130.0  Favored     9  29.960    13  0.57    18  0.81  molprobity  1.000  
 54   54  ?          88.8  -169.1  Favored     3  29.160     4  0.16     5  1.13  molprobity  1.000  
 55   55  tp        -57.0   -32.1  Favored    11  32.600     8  0.35    11  0.43  molprobity  1.000  
 56   56  mt       -116.3    16.3  Favored    11  30.440     8  0.54    11  0.42  molprobity  1.000  
 57   57  mm-40      51.5    56.6  Favored     8  29.450     9  0.51    12  0.56  molprobity  1.000  
 58   58  mt        -82.0   135.2  Favored    11  31.430     8  0.31    11  0.62  molprobity  1.000  
 59   59  t30       -88.0   135.9  Favored     6  38.400     8  0.60    11  0.55  molprobity  1.000  
 60   60  p         -80.3    -8.2  Favored     5  34.870     6  0.68     8  1.07  molprobity  1.000  
 61   61  OUTLIER   -78.7   -20.6  Favored    13  52.960    11  1.26    14  1.22  molprobity  1.000  
 62   62  m95      -121.4   -27.4  Favored    10  45.110    16  0.33    23  0.49  molprobity  1.000  
 63   63  m95      -116.0   -22.9  Favored    10  34.350    16  0.29    23  0.65  molprobity  1.000  
 64   64  p        -145.0   160.7  Favored     4  33.210     6  0.35     8  0.51  molprobity  1.000  
 65   65  t30      -100.3   127.7  Favored     6  37.810     8  0.35    11  0.33  molprobity  1.000  
 66   66  p-10     -125.4     3.3  Favored     4  32.610     8  0.45    11  1.30  molprobity  1.000  
 67   67  ?          79.8    -0.4  Favored     3  35.940     4  0.32     5  0.39  molprobity  1.000  
 68   68  ptt180   -131.0    13.9  Favored    13  37.930    11  0.44    14  0.78  molprobity  1.000  
 69   69  m        -119.3    93.7  Favored     7  41.520     7  0.41    11  0.88  molprobity  1.000  
 70   70  Cg_exo    -61.9   133.6  Favored     7  48.840     8  0.22    11  0.29  molprobity  1.000  
 71   71  ?          78.2     9.5  Favored     3  55.150     4  0.27     5  0.45  molprobity  1.000  
 72   72  p         -86.7   168.1  Favored     4  48.560     6  0.41     8  0.54  molprobity  1.000  
 73   73  mtt180   -106.5   165.1  Favored    13  61.820    11  0.82    14  0.51  molprobity  1.000  
 74   74  t-20     -122.8    66.4  Allowed     6  37.650     8  0.37    11  0.50  molprobity  1.000  
 75   75  mt        -69.3   -28.8  Favored    11  38.140     8  0.30    11  0.69  molprobity  1.000  
 76   76  m         -88.3    -8.0  Favored     4  33.670     6  0.15     8  0.35  molprobity  1.000  
 77   77  t-20       65.9    45.3  Favored     6  48.860     8  0.47    11  0.78  molprobity  1.000  
 78   78  pt       -138.8   160.8  Favored    11  38.380     8  0.37    12  0.83  molprobity  1.000  
 79   79  Cg_exo    -76.4   140.4  Favored     7  35.410     8  0.36    11  0.69  molprobity  1.000  
 80   80  m         -56.2   -26.7  Favored     4  30.220     6  0.57     8  0.56  molprobity  1.000  
 81   81  p         -67.8   -28.1  Favored     5  32.620     6  0.29     8  0.37  molprobity  1.000  
 82   82  ?         -62.5   -21.9  Favored     5  33.960     5  0.46     7  0.37  molprobity  1.000  
 83   83  mt        -74.2    -4.3  Favored    11  34.640     8  0.20    11  0.60  molprobity  1.000  
 84   84  mt       -103.4    -3.1  Favored    11  35.800     8  0.40    11  0.53  molprobity  1.000  
 85   85  t         -62.6   159.6  Favored     5  35.610     6  0.32     8  0.55  molprobity  1.000  
 86   86  p         -75.2   -15.3  Favored     5  38.230     6  0.29     8  0.30  molprobity  1.000  
 87   87  t0        -90.1   115.5  Favored     4  40.200     8  0.44    11  1.13  molprobity  1.000  
 88   88  pt        -83.2     5.7  Allowed    11  34.340     8  0.29    11  0.67  molprobity  1.000  
 89   89  m         -54.5   -46.3  Favored     7  34.380     7  0.44    10  0.69  molprobity  1.000  
 90   90  ?         -69.9   -32.3  Favored     5  33.450     5  0.23     7  0.26  molprobity  1.000  
 91   91  m         -69.7   -39.0  Favored     5  32.750     6  0.33     8  0.46  molprobity  1.000  
 92   92  t         -64.7   -48.6  Favored     9  31.480     7  0.31    10  0.58  molprobity  1.000  
 93   93  m-20      -63.3   -39.7  Favored     6  36.140     8  0.33    11  0.42  molprobity  1.000  
 94   94  t         -68.3   -41.4  Favored     4  30.740     6  0.28     8  0.26  molprobity  1.000  
 95   95  ?         -58.5   -39.0  Favored     5  31.310     5  0.39     7  0.22  molprobity  1.000  
 96   96  mttt      -58.9   -37.6  Favored    13  35.640     9  0.38    11  0.48  molprobity  1.000  
 97   97  ttmt      -71.8   -32.0  Favored    13  43.220     9  0.49    11  0.54  molprobity  1.000  
 98   98  mt        -71.7   -51.8  Favored    11  34.080     8  0.42    11  0.40  molprobity  1.000  
 99   99  p         -65.8    -9.3  Favored     9  34.950     7  0.62    10  0.28  molprobity  1.000  
100  100  m         -96.7    -6.4  Favored     5  39.080     6  0.58     8  0.57  molprobity  1.000  
101  101  p-10      -86.0    11.2  Favored     4  42.560     8  0.27    11  0.61  molprobity  1.000  
102  102  ?         123.8   -37.6  Favored     3  43.280     4  0.37     5  0.46  molprobity  1.000  
103  103  m-80     -103.4     5.4  Favored     6  41.260     8  0.27    11  0.65  molprobity  1.000  
104  104  ?          59.8  -145.3  Favored     3  31.790     4  0.37     5  0.17  molprobity  1.000  
105  105  mtp       -79.5    -2.6  Favored     9  29.530     8  0.58    10  0.49  molprobity  1.000  
106  106  m-80      -60.1   -19.3  Favored     6  30.470     8  0.42    11  0.47  molprobity  1.000  
107  107  ?         -55.7   -27.6  Favored     5  31.910     5  0.59     7  0.38  molprobity  1.000  
108  108  m-90      -98.2   108.5  Favored    10  29.790    16  0.64    23  0.30  molprobity  1.000  
109  109  t         -55.2   -38.2  Favored     9  31.880     7  0.52    10  0.58  molprobity  1.000  
110  110  ?         -75.8   -29.9  Favored     5  28.770     5  0.54     7  0.42  molprobity  1.000  
111  111  t90       -63.3   -45.6  Favored    10  28.950    16  0.60    23  0.39  molprobity  1.000  
112  112  ttp-105   -64.1   -41.0  Favored    13  38.340    11  0.21    14  0.53  molprobity  1.000  
113  113  m-20      -87.5   -20.3  Favored     6  33.770     8  0.35    11  0.55  molprobity  1.000  
114  114  mtp180   -131.5    -7.6  Favored    13  31.750    11  0.39    14  0.67  molprobity  1.000  
115  115  m        -124.7   -42.8  Favored     4  30.760     6  0.37     8  0.53  molprobity  1.000  
116  116  tttt      -52.3   129.4  Favored    13  34.190     9  0.40    11  0.56  molprobity  1.000  
117  117  ?          75.3     7.0  Favored     3  39.860     4  0.54     5  0.67  molprobity  1.000  
118  118  p        -102.1   176.2  Favored     7  36.000     7  0.57    10  0.63  molprobity  1.000  
119  119  t0        -81.9    83.9  Favored     4  47.030     8  0.30    11  0.39  molprobity  1.000  
120  120  m         -72.9   -18.3  Favored     9  36.530     7  0.67    10  0.79  molprobity  1.000  
121  121  tm0?      -62.7   -24.8  Favored     8  47.890     9  0.57    12  0.46  molprobity  1.000  
122  122  ?         -63.4   -26.8  Favored     5  40.670     5  0.19     7  0.39  molprobity  1.000  
123  123  m95       -67.9   -15.3  Favored    10  35.180    16  0.34    23  0.42  molprobity  1.000  
124  124  pt       -115.4     4.7  Favored    11  40.400     8  0.48    11  0.61  molprobity  1.000  
125  125  mtt180    -56.5   138.6  Favored    13  53.170    11  0.27    14  0.37  molprobity  1.000  
126  126  ?          84.3   -12.3  Favored     3  47.980     4  0.29     5  0.66  molprobity  1.000  
127  127  m         -82.3   143.4  Favored     4  42.100     6  0.16     8  0.48  molprobity  1.000  
128  128  ttm105    -86.9   115.8  Favored    13  54.480    11  0.26    14  0.48  molprobity  1.000  
129  129  mt            ?       ?  ?          11  55.220     8  0.34     8  0.44  molprobity  1.000  
130  130  ?             ?       ?  ?           ?  46.490     ?     ?     ?     ?  ?           1.000  
131  131  ?             ?       ?  ?           ?  37.510     ?     ?     ?     ?  ?           1.000  
132  132  ?             ?       ?  ?           ?  45.070     ?     ?     ?     ?  ?           1.000  
133  133  ?             ?       ?  ?           ?  32.510     ?     ?     ?     ?  ?           1.000  
134  134  ?             ?       ?  ?           ?  42.210     ?     ?     ?     ?  ?           1.000  
135  135  ?             ?       ?  ?           ?  29.740     ?     ?     ?     ?  ?           1.000  
136  136  ?             ?       ?  ?           ?  39.720     ?     ?     ?     ?  ?           1.000  
137  137  ?             ?       ?  ?           ?  40.100     ?     ?     ?     ?  ?           1.000  
138  138  ?             ?       ?  ?           ?  37.490     ?     ?     ?     ?  ?           1.000  
139  139  ?             ?       ?  ?           ?  29.970     ?     ?     ?     ?  ?           1.000  
140  140  ?             ?       ?  ?           ?  30.780     ?     ?     ?     ?  ?           1.000  
141  141  ?             ?       ?  ?           ?  33.780     ?     ?     ?     ?  ?           1.000  
142  142  ?             ?       ?  ?           ?  48.880     ?     ?     ?     ?  ?           1.000  
143  143  ?             ?       ?  ?           ?  41.850     ?     ?     ?     ?  ?           1.000  
144  144  ?             ?       ?  ?           ?  36.650     ?     ?     ?     ?  ?           1.000  
145  145  ?             ?       ?  ?           ?  35.780     ?     ?     ?     ?  ?           1.000  
146  146  ?             ?       ?  ?           ?  42.670     ?     ?     ?     ?  ?           1.000  
147  147  ?             ?       ?  ?           ?  38.450     ?     ?     ?     ?  ?           1.000  
148  148  ?             ?       ?  ?           ?  40.600     ?     ?     ?     ?  ?           1.000  
149  149  ?             ?       ?  ?           ?  46.410     ?     ?     ?     ?  ?           1.000  
150  150  ?             ?       ?  ?           ?  43.440     ?     ?     ?     ?  ?           1.000  
151  151  ?             ?       ?  ?           ?  31.420     ?     ?     ?     ?  ?           1.000  
152  152  ?             ?       ?  ?           ?  37.310     ?     ?     ?     ?  ?           1.000  
153  153  ?             ?       ?  ?           ?  40.080     ?     ?     ?     ?  ?           1.000  
154  154  ?             ?       ?  ?           ?  44.690     ?     ?     ?     ?  ?           1.000  
155  155  ?             ?       ?  ?           ?  48.820     ?     ?     ?     ?  ?           1.000  
156  156  ?             ?       ?  ?           ?  43.030     ?     ?     ?     ?  ?           1.000  
157  157  ?             ?       ?  ?           ?  36.460     ?     ?     ?     ?  ?           1.000  
158  158  ?             ?       ?  ?           ?  33.290     ?     ?     ?     ?  ?           1.000  
159  159  ?             ?       ?  ?           ?  46.000     ?     ?     ?     ?  ?           1.000  
160  160  ?             ?       ?  ?           ?  34.150     ?     ?     ?     ?  ?           1.000  
161  161  ?             ?       ?  ?           ?  49.290     ?     ?     ?     ?  ?           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   12  HG2   1  0.51  1.93  
 2   17  HD12  1  0.51  1.93  
 3   48  HB2   2  1.00  1.25  
 4   48  HB2   3  0.83  1.94  
 5   48  OD2   4  0.79  2.15  
 6   48  CG    5  0.76  2.39  
 7   48  CG    6  0.46  2.00  
 8   48  CB    7  0.73  2.51  
 9   61  HH22  2  1.00  1.25  
10   61  NH2   3  0.83  1.94  
11   61  NH2   4  0.79  2.15  
12   61  NH2   5  0.76  2.39  
13   61  NH2   7  0.73  2.51  
14   61  HH21  6  0.46  2.00  
15  101  OD1   8  0.44  2.56  
16  101  C     8  0.44  2.56  
#
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  0.952  0.118  -0.788  
  2    2   7  0.961  0.115  -0.466  
  3    3  11  0.959  0.098  -0.723  
  4    4   4  0.951  0.155   0.422  
  5    5  11  0.910  0.170   0.106  
  6    6   6  0.985  0.087  -0.670  
  7    7   9  0.951  0.130  -0.530  
  8    8   8  0.966  0.125  -0.385  
  9    9   5  0.972  0.105  -0.454  
 10   10   5  0.969  0.092  -0.685  
 11   11   5  0.966  0.103  -0.489  
 12   12   8  0.973  0.107  -0.527  
 13   13   9  0.945  0.123  -0.721  
 14   14  11  0.917  0.167   0.063  
 15   15  10  0.955  0.154   0.274  
 16   16   4  0.942  0.109  -0.321  
 17   17   8  0.940  0.135  -0.201  
 18   18   8  0.934  0.130  -0.236  
 19   19   8  0.949  0.125  -0.273  
 20   20  12  0.958  0.126  -0.137  
 21   21  11  0.866  0.188   0.365  
 22   22   4  0.976  0.134   0.082  
 23   23  12  0.964  0.123  -0.195  
 24   24   6  0.980  0.110  -0.410  
 25   25   8  0.982  0.157   0.204  
 26   26   4  0.971  0.149   0.325  
 27   27   8  0.983  0.101  -0.644  
 28   28  14  0.973  0.108  -0.431  
 29   29   7  0.977  0.118  -0.410  
 30   30   6  0.990  0.095  -0.500  
 31   31   5  0.981  0.123  -0.133  
 32   32   5  0.984  0.124  -0.116  
 33   33   9  0.976  0.101  -1.015  
 34   34  11  0.974  0.103  -0.628  
 35   35   9  0.964  0.126  -0.583  
 36   36   6  0.974  0.153   0.301  
 37   37   8  0.973  0.115  -0.427  
 38   38  11  0.970  0.119  -0.326  
 39   39   8  0.977  0.110  -0.505  
 40   40   7  0.978  0.114  -0.351  
 41   41   9  0.974  0.120  -0.538  
 42   42   5  0.969  0.146   0.276  
 43   43   7  0.982  0.156   0.387  
 44   44   8  0.961  0.160   0.267  
 45   45  11  0.914  0.165   0.034  
 46   46   8  0.965  0.113  -0.458  
 47   47   7  0.958  0.089  -0.791  
 48   48   8  0.921  0.134  -0.176  
 49   49   4  0.952  0.074  -0.887  
 50   50   6  0.977  0.125  -0.162  
 51   51   7  0.965  0.118  -0.281  
 52   52   8  0.978  0.108  -0.564  
 53   53  12  0.971  0.110  -0.449  
 54   54   4  0.975  0.139   0.163  
 55   55   8  0.974  0.149   0.069  
 56   56   8  0.948  0.134  -0.219  
 57   57   9  0.966  0.134  -0.335  
 58   58   8  0.958  0.101  -0.826  
 59   59   8  0.948  0.173   0.468  
 60   60   6  0.968  0.102  -0.542  
 61   61  11  0.888  0.260   1.399  
 62   62  14  0.941  0.169   0.821  
 63   63  14  0.968  0.124  -0.103  
 64   64   6  0.969  0.090  -0.606  
 65   65   8  0.970  0.109  -0.520  
 66   66   8  0.971  0.097  -0.728  
 67   67   4  0.968  0.089  -0.645  
 68   68  11  0.897  0.161  -0.023  
 69   69   7  0.936  0.107  -0.475  
 70   70   7  0.952  0.121  -0.164  
 71   71   4  0.947  0.183   0.874  
 72   72   6  0.936  0.172   0.615  
 73   73  11  0.853  0.243   1.155  
 74   74   8  0.949  0.174   0.483  
 75   75   8  0.941  0.166   0.370  
 76   76   6  0.974  0.116  -0.053  
 77   77   8  0.893  0.316   2.674  
 78   78   8  0.963  0.154   0.162  
 79   79   7  0.973  0.100  -0.521  
 80   80   6  0.987  0.079  -0.840  
 81   81   6  0.952  0.120  -0.245  
 82   82   5  0.985  0.081  -0.881  
 83   83   8  0.960  0.128  -0.330  
 84   84   8  0.965  0.111  -0.643  
 85   85   6  0.965  0.130  -0.079  
 86   86   6  0.964  0.096  -0.641  
 87   87   8  0.952  0.146   0.003  
 88   88   8  0.950  0.126  -0.360  
 89   89   7  0.972  0.092  -0.738  
 90   90   5  0.976  0.090  -0.721  
 91   91   6  0.945  0.109  -0.426  
 92   92   7  0.959  0.099  -0.767  
 93   93   8  0.950  0.110  -0.505  
 94   94   6  0.972  0.094  -0.521  
 95   95   5  0.975  0.084  -0.827  
 96   96   9  0.956  0.115  -0.828  
 97   97   9  0.926  0.178   0.013  
 98   98   8  0.971  0.120  -0.472  
 99   99   7  0.940  0.110  -0.560  
100  100   6  0.952  0.107  -0.460  
101  101   8  0.925  0.113  -0.490  
102  102   4  0.963  0.145   0.260  
103  103   8  0.943  0.127  -0.242  
104  104   4  0.981  0.087  -0.677  
105  105   8  0.967  0.113  -0.416  
106  106   8  0.962  0.081  -0.952  
107  107   5  0.937  0.178   0.845  
108  108  14  0.960  0.111  -0.370  
109  109   7  0.937  0.161   0.398  
110  110   5  0.958  0.108  -0.400  
111  111  14  0.965  0.117  -0.246  
112  112  11  0.926  0.130  -0.468  
113  113   8  0.980  0.092  -0.782  
114  114  11  0.968  0.102  -0.871  
115  115   6  0.987  0.093  -0.543  
116  116   9  0.964  0.111  -0.881  
117  117   4  0.985  0.064  -1.048  
118  118   7  0.964  0.142   0.141  
119  119   8  0.928  0.260   1.704  
120  120   7  0.929  0.144   0.079  
121  121   9  0.864  0.236   1.139  
122  122   5  0.980  0.081  -0.881  
123  123  14  0.952  0.102  -0.554  
124  124   8  0.911  0.134  -0.211  
125  125  11  0.920  0.245   1.184  
126  126   4  0.970  0.139   0.163  
127  127   6  0.976  0.084  -0.734  
128  128  11  0.917  0.186   0.336  
129  129   9  0.877  0.213   1.236  
130  130   1  0.742  0.290       ?  
131  131   1  0.970  0.089       ?  
132  132   1  0.826  0.107       ?  
133  133   1  0.943  0.254       ?  
134  134   1  0.914  0.125       ?  
135  135   1  0.941  0.172       ?  
136  136   1  0.928  0.341       ?  
137  137   1  0.953  0.149       ?  
138  138   1  0.940  0.180       ?  
139  139   1  0.987  0.178       ?  
140  140   1  0.956  0.246       ?  
141  141   1  0.971  0.322       ?  
142  142   1  0.812  0.153       ?  
143  143   1  0.926  0.161       ?  
144  144   1  0.972  0.197       ?  
145  145   1  0.961  0.183       ?  
146  146   1  0.975  0.155       ?  
147  147   1  0.944  0.273       ?  
148  148   1  0.816  0.236       ?  
149  149   1  0.871  0.136       ?  
150  150   1  0.695  0.360       ?  
151  151   1  0.919  0.203       ?  
152  152   1  0.967  0.254       ?  
153  153   1  0.942  0.142       ?  
154  154   1  0.906  0.162       ?  
155  155   1  0.785  0.284       ?  
156  156   1  0.829  0.150       ?  
157  157   1  0.914  0.248       ?  
158  158   1  0.920  0.170       ?  
159  159   1  0.838  0.279       ?  
160  160   1  0.845  0.185       ?  
161  161   1  0.605  0.326       ?  
#
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                                                                  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  
##
