data_6DCZ

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  6DCZ
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    6DCZ
_pdbx_vrpt_summary.PDB_deposition_date         2018-05-08
_pdbx_vrpt_summary.PDB_revision_number         4
_pdbx_vrpt_summary.PDB_revision_date           2023-10-11
_pdbx_vrpt_summary.report_creation_date        2023-10-07:19:50
_pdbx_vrpt_summary.attempted_validation_steps  molprobity,validation-pack,xtriage,eds,mogul,buster-report,percentiles,writexml,writecif,writepdf
_pdbx_vrpt_summary.ligands_for_buster_report   Y
#
loop_
_pdbx_vrpt_entity.id
_pdbx_vrpt_entity.type
_pdbx_vrpt_entity.description
1  polymer      "Polymerase acidic protein"  
2  non-polymer  "3-hydroxy-4-oxo-4H-pyran-2-carboxylic acid"  
3  non-polymer  "MANGANESE (II) ION"  
4  water        water  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  2  
C  3  
D  3  
E  4  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all   x-ray  
2  2.89  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  52.89  141614     ?     ?  
 2  2  1  76.15    2172  2.90  2.90  
 3  1  2  24.89  138981     ?     ?  
 4  2  2  57.78    2115  2.90  2.90  
 5  1  3   8.61  138945     ?     ?  
 6  2  3  26.78    2117  2.90  2.90  
 7  1  4  69.81  127900     ?     ?  
 8  2  4  69.31    1906  2.90  2.90  
 9  1  5  12.99  130704     ?     ?  
10  2  5  36.21    1957  2.90  2.90  
#
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  24.89  
2  4  2  A  1  1  A  57.78  
3  5  3  A  1  1  A   8.61  
4  6  3  A  1  1  A  26.78  
5  7  4  A  1  1  A  69.81  
6  8  4  A  1  1  A  69.31  
#
_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      0.68
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ       0.47
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ   1526
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ  2047
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  0.57
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       9.26
_pdbx_vrpt_summary_geometry.clashscore                     5.36
_pdbx_vrpt_summary_geometry.num_H_reduce                   1478
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 1526
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.47
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                2047
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.68
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.Babinet_b                 155.414
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            38.391
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         49.770
_pdbx_vrpt_summary_diffraction.I_over_sigma              2.04(2.90A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        4807
_pdbx_vrpt_summary_diffraction.Babinet_k                 0.136
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.349
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.467
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.297
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.922
_pdbx_vrpt_summary_diffraction.DCC_R                     0.21
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.28
_pdbx_vrpt_summary_diffraction.EDS_R                     0.21
_pdbx_vrpt_summary_diffraction.EDS_res_high              2.89
_pdbx_vrpt_summary_diffraction.EDS_res_low               28.88
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[52.562,52.562,44.797,0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.155
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 8.50% 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         95.77
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      474
_pdbx_vrpt_summary_diffraction.percent_free_reflections  9.86
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     1.67
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       2.89
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        28.89
_pdbx_vrpt_summary_diffraction.PDB_R                     0.21
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.28
#
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_mogul_bond_outliers
_pdbx_vrpt_model_instance.count_mogul_angle_outliers
_pdbx_vrpt_model_instance.ligand_of_interest
  1  1  1  A    6  ALA  A    0  .  ?        ?     ?     ?  ?     
  2  1  1  A    7  MET  A    1  .  ?        1     ?     ?  ?     
  3  1  1  A    8  GLU  A    2  .  ?        1     ?     ?  ?     
  4  1  1  A    9  ASP  A    3  .  ?        ?     ?     ?  ?     
  5  1  1  A   10  PHE  A    4  .  ?        ?     ?     ?  ?     
  6  1  1  A   11  VAL  A    5  .  ?        ?     ?     ?  ?     
  7  1  1  A   12  ARG  A    6  .  ?        1     ?     ?  ?     
  8  1  1  A   13  GLN  A    7  .  ?        ?     ?     ?  ?     
  9  1  1  A   14  CYS  A    8  .  ?        ?     ?     ?  ?     
 10  1  1  A   15  PHE  A    9  .  ?        ?     ?     ?  ?     
 11  1  1  A   16  ASN  A   10  .  ?        ?     ?     ?  ?     
 12  1  1  A   17  PRO  A   11  .  ?        ?     ?     ?  ?     
 13  1  1  A   18  MET  A   12  .  ?        ?     ?     ?  ?     
 14  1  1  A   19  ILE  A   13  .  ?        ?     ?     ?  ?     
 15  1  1  A   20  VAL  A   14  .  ?        ?     ?     ?  ?     
 16  1  1  A   21  GLU  A   15  .  ?        ?     ?     ?  ?     
 17  1  1  A   22  LEU  A   16  .  ?        ?     ?     ?  ?     
 18  1  1  A   23  ALA  A   17  .  ?        ?     ?     ?  ?     
 19  1  1  A   24  GLU  A   18  .  ?        ?     ?     ?  ?     
 20  1  1  A   25  LYS  A   19  .  ?        ?     ?     ?  ?     
 21  1  1  A   26  ALA  A   20  .  ?        ?     ?     ?  ?     
 22  1  1  A   27  MET  A   21  .  ?        ?     ?     ?  ?     
 23  1  1  A   28  LYS  A   22  .  ?        ?     ?     ?  ?     
 24  1  1  A   29  GLU  A   23  .  ?        ?     ?     ?  ?     
 25  1  1  A   30  TYR  A   24  .  ?        ?     ?     ?  ?     
 26  1  1  A   31  GLY  A   25  .  ?        ?     ?     ?  ?     
 27  1  1  A   32  GLU  A   26  .  ?        ?     ?     ?  ?     
 28  1  1  A   33  ASP  A   27  .  ?        ?     ?     ?  ?     
 29  1  1  A   34  PRO  A   28  .  ?        ?     ?     ?  ?     
 30  1  1  A   35  LYS  A   29  .  ?        ?     ?     ?  ?     
 31  1  1  A   36  ILE  A   30  .  ?        ?     ?     ?  ?     
 32  1  1  A   37  GLU  A   31  .  ?        ?     ?     ?  ?     
 33  1  1  A   38  THR  A   32  .  ?        1     ?     ?  ?     
 34  1  1  A   39  ASN  A   33  .  ?        ?     ?     ?  ?     
 35  1  1  A   40  LYS  A   34  .  ?        ?     ?     ?  ?     
 36  1  1  A   41  PHE  A   35  .  ?        ?     ?     ?  ?     
 37  1  1  A   42  ALA  A   36  .  ?        ?     ?     ?  ?     
 38  1  1  A   43  ALA  A   37  .  ?        ?     ?     ?  ?     
 39  1  1  A   44  ILE  A   38  .  ?        ?     ?     ?  ?     
 40  1  1  A   45  CYS  A   39  .  ?        ?     ?     ?  ?     
 41  1  1  A   46  THR  A   40  .  ?        ?     ?     ?  ?     
 42  1  1  A   47  HIS  A   41  .  ?        ?     ?     ?  ?     
 43  1  1  A   48  LEU  A   42  .  ?        ?     ?     ?  ?     
 44  1  1  A   49  GLU  A   43  .  ?        1     ?     ?  ?     
 45  1  1  A   50  VAL  A   44  .  ?        ?     ?     ?  ?     
 46  1  1  A   51  CYS  A   45  .  ?        ?     ?     ?  ?     
 47  1  1  A   52  PHE  A   46  .  ?        ?     ?     ?  ?     
 48  1  1  A   53  MET  A   47  .  ?        ?     ?     ?  ?     
 49  1  1  A   54  TYR  A   48  .  ?        ?     ?     ?  ?     
 50  1  1  A   55  SER  A   49  .  ?        ?     ?     ?  ?     
 51  1  1  A   56  ASP  A   50  .  ?        ?     ?     ?  ?     
 52  1  1  A   57  PHE  A   51  .  ?        ?     ?     ?  ?     
 53  1  1  A   58  GLY  A   52  .  ?        ?     ?     ?  ?     
 54  1  1  A   64  ALA  A   70  .  ?        ?     ?     ?  ?     
 55  1  1  A   65  LEU  A   71  .  ?        ?     ?     ?  ?     
 56  1  1  A   66  LEU  A   72  .  ?        ?     ?     ?  ?     
 57  1  1  A   67  LYS  A   73  .  ?        2     ?     ?  ?     
 58  1  1  A   68  HIS  A   74  .  ?        ?     ?     ?  ?     
 59  1  1  A   69  ARG  A   75  .  ?        1     ?     ?  ?     
 60  1  1  A   70  PHE  A   76  .  ?        ?     ?     ?  ?     
 61  1  1  A   71  GLU  A   77  .  ?        1     ?     ?  ?     
 62  1  1  A   72  ILE  A   78  .  ?        ?     ?     ?  ?     
 63  1  1  A   73  ILE  A   79  .  ?        ?     ?     ?  ?     
 64  1  1  A   74  GLU  A   80  .  ?        ?     ?     ?  ?     
 65  1  1  A   75  GLY  A   81  .  ?        ?     ?     ?  ?     
 66  1  1  A   76  ARG  A   82  .  ?        ?     ?     ?  ?     
 67  1  1  A   77  ASP  A   83  .  ?        ?     ?     ?  ?     
 68  1  1  A   78  ARG  A   84  .  ?        ?     ?     ?  ?     
 69  1  1  A   79  ILE  A   85  .  ?        ?     ?     ?  ?     
 70  1  1  A   80  MET  A   86  .  ?        ?     ?     ?  ?     
 71  1  1  A   81  ALA  A   87  .  ?        ?     ?     ?  ?     
 72  1  1  A   82  TRP  A   88  .  ?        ?     ?     ?  ?     
 73  1  1  A   83  THR  A   89  .  ?        ?     ?     ?  ?     
 74  1  1  A   84  VAL  A   90  .  ?        ?     ?     ?  ?     
 75  1  1  A   85  VAL  A   91  .  ?        ?     ?     ?  ?     
 76  1  1  A   86  ASN  A   92  .  ?        ?     ?     ?  ?     
 77  1  1  A   87  SER  A   93  .  ?        ?     ?     ?  ?     
 78  1  1  A   88  ILE  A   94  .  ?        ?     ?     ?  ?     
 79  1  1  A   89  CYS  A   95  .  ?        ?     ?     ?  ?     
 80  1  1  A   90  ASN  A   96  .  ?        ?     ?     ?  ?     
 81  1  1  A   91  THR  A   97  .  ?        ?     ?     ?  ?     
 82  1  1  A   92  THR  A   98  .  ?        ?     ?     ?  ?     
 83  1  1  A   93  GLY  A   99  .  ?        ?     ?     ?  ?     
 84  1  1  A   94  VAL  A  100  .  ?        ?     ?     ?  ?     
 85  1  1  A   95  GLU  A  101  .  ?        ?     ?     ?  ?     
 86  1  1  A   96  LYS  A  102  .  ?        ?     ?     ?  ?     
 87  1  1  A   97  PRO  A  103  .  ?        ?     ?     ?  ?     
 88  1  1  A   98  LYS  A  104  .  ?        ?     ?     ?  ?     
 89  1  1  A   99  PHE  A  105  .  ?        ?     ?     ?  ?     
 90  1  1  A  100  LEU  A  106  .  ?        ?     ?     ?  ?     
 91  1  1  A  101  PRO  A  107  .  ?        ?     ?     ?  ?     
 92  1  1  A  102  ASP  A  108  .  ?        ?     ?     ?  ?     
 93  1  1  A  103  LEU  A  109  .  ?        ?     ?     ?  ?     
 94  1  1  A  104  TYR  A  110  .  ?        ?     ?     ?  ?     
 95  1  1  A  105  ASP  A  111  .  ?        2     ?     ?  ?     
 96  1  1  A  106  TYR  A  112  .  ?        1     ?     ?  ?     
 97  1  1  A  107  LYS  A  113  .  ?        4     ?     ?  ?     
 98  1  1  A  108  GLU  A  114  .  ?        1     ?     ?  ?     
 99  1  1  A  109  ASN  A  115  .  ?        ?     ?     ?  ?     
100  1  1  A  110  ARG  A  116  .  ?        ?     ?     ?  ?     
101  1  1  A  111  PHE  A  117  .  ?        ?     ?     ?  ?     
102  1  1  A  112  ILE  A  118  .  ?        ?     ?     ?  ?     
103  1  1  A  113  GLU  A  119  .  ?        ?     ?     ?  ?     
104  1  1  A  114  ILE  A  120  .  ?        ?     ?     ?  ?     
105  1  1  A  115  GLY  A  121  .  ?        ?     ?     ?  ?     
106  1  1  A  116  VAL  A  122  .  ?        ?     ?     ?  ?     
107  1  1  A  117  THR  A  123  .  ?        ?     ?     ?  ?     
108  1  1  A  118  ARG  A  124  .  ?        ?     ?     ?  ?     
109  1  1  A  119  ARG  A  125  .  ?        ?     ?     ?  ?     
110  1  1  A  120  GLU  A  126  .  ?        ?     ?     ?  ?     
111  1  1  A  121  VAL  A  127  .  ?        ?     ?     ?  ?     
112  1  1  A  122  HIS  A  128  .  ?        ?     ?     ?  ?     
113  1  1  A  123  ILE  A  129  .  ?        ?     ?     ?  ?     
114  1  1  A  124  TYR  A  130  .  ?        ?     ?     ?  ?     
115  1  1  A  125  TYR  A  131  .  ?        2     ?     ?  ?     
116  1  1  A  126  LEU  A  132  .  ?        ?     ?     ?  ?     
117  1  1  A  127  GLU  A  133  .  ?        ?     ?     ?  ?     
118  1  1  A  128  LYS  A  134  .  ?        ?     ?     ?  ?     
119  1  1  A  129  ALA  A  135  .  ?        ?     ?     ?  ?     
120  1  1  A  130  ASN  A  136  .  ?        ?     ?     ?  ?     
121  1  1  A  131  LYS  A  137  .  ?        ?     ?     ?  ?     
122  1  1  A  132  ILE  A  138  .  ?        1     ?     ?  ?     
123  1  1  A  133  LYS  A  139  .  ?        ?     ?     ?  ?     
124  1  1  A  134  SER  A  140  .  ?        ?     ?     ?  ?     
125  1  1  A  135  GLU  A  141  .  ?        ?     ?     ?  ?     
126  1  1  A  136  LYS  A  142  .  ?        ?     ?     ?  ?     
127  1  1  A  137  THR  A  143  .  ?        ?     ?     ?  ?     
128  1  1  A  138  HIS  A  144  .  ?        ?     ?     ?  ?     
129  1  1  A  139  ILE  A  145  .  ?        1     ?     ?  ?     
130  1  1  A  140  HIS  A  146  .  ?        ?     ?     ?  ?     
131  1  1  A  141  ILE  A  147  .  ?        1     ?     ?  ?     
132  1  1  A  142  PHE  A  148  .  ?        ?     ?     ?  ?     
133  1  1  A  143  SER  A  149  .  ?        ?     ?     ?  ?     
134  1  1  A  144  PHE  A  150  .  ?        ?     ?     ?  ?     
135  1  1  A  145  THR  A  151  .  ?        ?     ?     ?  ?     
136  1  1  A  146  GLY  A  152  .  ?        ?     ?     ?  ?     
137  1  1  A  147  GLU  A  153  .  ?        ?     ?     ?  ?     
138  1  1  A  148  GLU  A  154  .  ?        2     ?     ?  ?     
139  1  1  A  149  MET  A  155  .  ?        ?     ?     ?  ?     
140  1  1  A  150  ALA  A  156  .  ?        ?     ?     ?  ?     
141  1  1  A  151  THR  A  157  .  ?        2     ?     ?  ?     
142  1  1  A  152  LYS  A  158  .  ?        ?     ?     ?  ?     
143  1  1  A  153  ALA  A  159  .  ?        ?     ?     ?  ?     
144  1  1  A  154  ASP  A  160  .  ?        ?     ?     ?  ?     
145  1  1  A  155  TYR  A  161  .  ?        1     ?     ?  ?     
146  1  1  A  156  THR  A  162  .  ?        ?     ?     ?  ?     
147  1  1  A  157  LEU  A  163  .  ?        1     ?     ?  ?     
148  1  1  A  158  ASP  A  164  .  ?        ?     ?     ?  ?     
149  1  1  A  159  GLU  A  165  .  ?        ?     ?     ?  ?     
150  1  1  A  160  GLU  A  166  .  ?        ?     ?     ?  ?     
151  1  1  A  161  SER  A  167  .  ?        ?     ?     ?  ?     
152  1  1  A  162  ARG  A  168  .  ?        1     ?     ?  ?     
153  1  1  A  163  ALA  A  169  .  ?        ?     ?     ?  ?     
154  1  1  A  164  ARG  A  170  .  ?        ?     ?     ?  ?     
155  1  1  A  165  ILE  A  171  .  ?        ?     ?     ?  ?     
156  1  1  A  166  LYS  A  172  .  ?        ?     ?     ?  ?     
157  1  1  A  167  THR  A  173  .  ?        ?     ?     ?  ?     
158  1  1  A  168  ARG  A  174  .  ?        1     ?     ?  ?     
159  1  1  A  169  LEU  A  175  .  ?        ?     ?     ?  ?     
160  1  1  A  170  PHE  A  176  .  ?        ?     ?     ?  ?     
161  1  1  A  171  THR  A  177  .  ?        ?     ?     ?  ?     
162  1  1  A  172  ILE  A  178  .  ?        ?     ?     ?  ?     
163  1  1  A  173  ARG  A  179  .  ?        1     ?     ?  ?     
164  1  1  A  174  GLN  A  180  .  ?        ?     ?     ?  ?     
165  1  1  A  175  GLU  A  181  .  ?        ?     ?     ?  ?     
166  1  1  A  176  MET  A  182  .  ?        ?     ?     ?  ?     
167  1  1  A  177  ALA  A  183  .  ?        ?     ?     ?  ?     
168  1  1  A  178  SER  A  184  .  ?        ?     ?     ?  ?     
169  1  1  A  179  ARG  A  185  .  ?        ?     ?     ?  ?     
170  1  1  A  180  SER  A  186  .  ?        ?     ?     ?  ?     
171  1  1  A  181  LEU  A  187  .  ?        ?     ?     ?  ?     
172  1  1  A  182  TRP  A  188  .  ?        1     ?     ?  ?     
173  1  1  A  183  ASP  A  189  .  ?        ?     ?     ?  ?     
174  1  1  A  184  SER  A  190  .  ?        ?     ?     ?  ?     
175  1  1  A  185  PHE  A  191  .  ?        ?     ?     ?  ?     
176  1  1  A  186  ARG  A  192  .  ?        ?     ?     ?  ?     
177  1  1  A  187  GLN  A  193  .  ?        ?     ?     ?  ?     
178  1  1  A  188  SER  A  194  .  ?        ?     ?     ?  ?     
179  1  1  A  189  GLU  A  195  .  ?        ?     ?     ?  ?     
180  1  1  A  190  ARG  A  196  .  ?        ?     ?     ?  ?     
181  1  2  B    .  G5Y  A  301  .  ?        ?     5     3  Y     
182  1  3  C    .  MN   A  302  .  ?        ?     ?     ?  ?     
183  1  3  D    .  MN   A  303  .  ?        ?     ?     ?  ?     
184  1  4  E    .  HOH  A  401  .  ?        ?     ?     ?  ?     
185  1  4  E    .  HOH  A  402  .  ?        ?     ?     ?  ?     
186  1  4  E    .  HOH  A  403  .  ?        ?     ?     ?  ?     
187  1  4  E    .  HOH  A  404  .  ?        ?     ?     ?  ?     
#
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  ?             ?       ?  ?           7   61.800     5  0.71     7  0.93  molprobity  1.000  
  2    2  tpp       -48.8   -54.5  Favored     9   52.170     8  0.29    10  0.67  molprobity  1.000  
  3    3  tt0       -36.7   -49.6  Allowed     6   56.880     9  0.51    12  0.33  molprobity  1.000  
  4    4  m-20      -56.0   -57.3  Favored     4   54.550     8  0.32    11  0.50  molprobity  1.000  
  5    5  t80       -49.0   -47.8  Favored     9   45.610    12  0.35    16  0.38  molprobity  1.000  
  6    6  t         -55.8   -50.7  Favored     9   35.820     7  0.28    10  0.52  molprobity  1.000  
  7    7  OUTLIER   -59.3   -42.6  Favored    13   45.180    11  0.35    14  0.55  molprobity  1.000  
  8    8  mp0       -67.7   -38.5  Favored     8   51.980     9  0.24    12  0.50  molprobity  1.000  
  9    9  OUTLIER  -112.0     8.5  Favored     5   49.710     6  0.38     8  0.78  molprobity  1.000  
 10   10  m-85     -137.7   139.9  Favored     9   37.250    12  0.73    16  0.40  molprobity  1.000  
 11   11  OUTLIER   -65.2   142.1  Favored     6   47.970     8  0.38    12  1.34  molprobity  1.000  
 12   12  Cg_exo    -43.8   -42.2  Favored     7   43.850     8  0.31    11  0.65  molprobity  1.000  
 13   13  ttt       -50.8   -47.6  Favored     9   54.670     8  0.61    10  0.89  molprobity  1.000  
 14   14  mt        -66.3   -44.2  Favored    11   42.720     8  0.20    11  0.37  molprobity  1.000  
 15   15  t         -61.0   -56.0  Favored     9   39.140     7  0.26    10  0.52  molprobity  1.000  
 16   16  tt0       -48.8   -48.0  Favored     6   51.360     9  0.97    12  0.73  molprobity  1.000  
 17   17  mt        -60.6   -54.5  Favored    11   45.660     8  0.32    11  0.59  molprobity  1.000  
 18   18  ?         -48.3   -55.8  Favored     5   46.730     5  0.41     7  0.52  molprobity  1.000  
 19   19  mt-10     -55.8   -47.2  Favored     6   53.000     9  0.52    12  0.44  molprobity  1.000  
 20   20  OUTLIER   -61.4   -40.3  Favored    13   60.610     9  0.49    11  0.93  molprobity  1.000  
 21   21  ?         -57.4   -46.8  Favored     5   47.480     5  0.31     7  0.91  molprobity  1.000  
 22   22  mtp       -74.0   -43.6  Favored     9   43.620     8  0.34    10  0.43  molprobity  1.000  
 23   23  mttp      -69.5   -32.8  Favored    13   53.060     9  0.20    11  0.37  molprobity  1.000  
 24   24  OUTLIER   -59.0   -44.1  Favored     6   56.460     9  0.48    12  0.62  molprobity  1.000  
 25   25  m-85     -103.0    19.5  Favored     9   64.540    13  0.44    18  0.95  molprobity  1.000  
 26   26  ?          80.5    29.1  Favored     3   54.010     4  0.77     5  0.41  molprobity  1.000  
 27   27  mt-10    -114.6   138.3  Favored     6   57.870     9  0.34    12  0.40  molprobity  1.000  
 28   28  t0       -101.1   120.1  Favored     4   51.240     8  0.51    12  0.53  molprobity  1.000  
 29   29  Cg_exo    -67.0   -14.3  Favored     7   42.900     8  0.70    11  0.63  molprobity  1.000  
 30   30  OUTLIER   -79.9   -22.1  Favored    13   53.320     9  0.26    11  0.69  molprobity  1.000  
 31   31  mt       -108.5   -56.1  Favored    11   42.860     8  0.23    11  0.42  molprobity  1.000  
 32   32  mm-40     -87.2    68.0  Favored     6   42.610     9  0.43    12  0.92  molprobity  1.000  
 33   33  p         -75.1   -47.9  Favored     7   33.230     7  0.50    10  0.45  molprobity  1.000  
 34   34  m-20      -57.1   -37.5  Favored     6   34.120     8  0.35    11  0.57  molprobity  1.000  
 35   35  tttt      -65.6   -43.6  Favored    13   42.700     9  0.52    11  0.47  molprobity  1.000  
 36   36  t80       -51.2   -52.9  Favored     9   36.590    12  0.43    16  0.99  molprobity  1.000  
 37   37  ?         -53.7   -46.7  Favored     5   31.960     5  0.52     7  0.33  molprobity  1.000  
 38   38  ?         -65.3   -42.9  Favored     5   29.970     5  0.82     7  0.37  molprobity  1.000  
 39   39  mt        -60.0   -52.0  Favored    11   32.860     8  0.35    11  0.22  molprobity  1.000  
 40   40  m         -51.0   -52.6  Favored     5   31.650     6  0.22     8  0.74  molprobity  1.000  
 41   41  m         -56.1   -48.7  Favored     7   27.420     7  0.20    10  0.69  molprobity  1.000  
 42   42  t-80      -64.5   -45.3  Favored     7   23.080    11  0.33    15  0.76  molprobity  1.000  
 43   43  tp        -60.9   -43.8  Favored    11   31.620     8  0.29    11  0.41  molprobity  1.000  
 44   44  tt0       -60.6   -48.9  Favored     6   38.490     9  0.81    12  0.65  molprobity  1.000  
 45   45  t         -51.5   -48.1  Favored     9   29.380     7  0.35    10  0.43  molprobity  1.000  
 46   46  m         -56.8   -38.4  Favored     5   32.720     6  0.19     8  0.53  molprobity  1.000  
 47   47  m-30      -73.9   -52.9  Favored     9   33.730    12  0.17    16  0.60  molprobity  1.000  
 48   48  mtp       -49.2   -47.1  Favored     9   35.630     8  0.37    10  0.65  molprobity  1.000  
 49   49  t80       -53.9   -50.4  Favored     9   35.930    13  0.23    18  0.82  molprobity  1.000  
 50   50  OUTLIER   -76.0   -23.5  Favored     5   39.940     6  0.42     8  0.40  molprobity  1.000  
 51   51  m-20      -60.8   -52.4  Favored     4   44.840     8  0.45    11  0.82  molprobity  1.000  
 52   52  m-85      -68.8    79.4  Allowed     9   57.450    12  0.42    16  0.43  molprobity  1.000  
 53   53  ?             ?       ?  ?           3   57.880     3  0.35     2  0.48  molprobity  1.000  
 54   54  ?             ?       ?  ?           4   87.290     5  0.41     7  0.61  molprobity  1.000  
 55   55  tm?      -164.1   -40.8  OUTLIER    11  101.800     8  0.82    11  0.54  molprobity  1.000  
 56   56  OUTLIER  -103.2    80.4  Allowed    11   99.110     8  0.64    11  0.57  molprobity  1.000  
 57   57  OUTLIER   -65.0   132.7  Favored    13   97.390     9  0.36    11  1.00  molprobity  1.000  
 58   58  t-80       66.0    71.3  Allowed     7   76.900    11  0.47    15  1.26  molprobity  1.000  
 59   59  ttm180    -73.3   -39.7  Favored    13   66.390    11  0.55    14  0.99  molprobity  1.000  
 60   60  m-85     -106.8   161.2  Favored     9   41.000    12  0.42    16  0.61  molprobity  1.000  
 61   61  tp10     -124.1   133.8  Favored     6   46.140     9  0.32    12  0.61  molprobity  1.000  
 62   62  tp        -96.2   123.8  Favored    11   50.440     8  0.27    11  0.55  molprobity  1.000  
 63   63  mt       -109.2   -41.4  Favored    11   43.670     8  0.21    11  0.27  molprobity  1.000  
 64   64  tp10      -56.5   147.7  Favored     6   39.470     9  0.35    12  0.45  molprobity  1.000  
 65   65  ?          90.4   -17.5  Favored     3   37.120     4  0.98     5  0.76  molprobity  1.000  
 66   66  mtt-85    -82.7   160.2  Favored    13   44.450    11  0.31    14  1.29  molprobity  1.000  
 67   67  p-10      -72.6   168.6  Favored     4   53.160     8  0.39    11  0.47  molprobity  1.000  
 68   68  mtp180    -78.3   -27.4  Favored    13   50.230    11  0.40    14  0.65  molprobity  1.000  
 69   69  mt        -63.6   -51.5  Favored    11   48.250     8  0.21    11  0.51  molprobity  1.000  
 70   70  mmt       -63.3   -40.6  Favored     9   50.010     8  0.50    10  0.74  molprobity  1.000  
 71   71  ?         -59.8   -58.5  Favored     5   38.910     5  0.57     7  0.67  molprobity  1.000  
 72   72  m95       -63.0   -37.3  Favored    10   34.400    16  0.29    23  0.57  molprobity  1.000  
 73   73  m         -56.1   -42.0  Favored     7   34.090     7  0.23    10  0.72  molprobity  1.000  
 74   74  t         -69.3   -51.1  Favored     9   33.170     7  0.21    10  0.80  molprobity  1.000  
 75   75  t         -53.2   -48.2  Favored     9   41.430     7  0.26    10  0.60  molprobity  1.000  
 76   76  m-80      -66.0   -42.7  Favored     6   50.630     8  0.31    11  0.66  molprobity  1.000  
 77   77  OUTLIER   -53.6   -43.6  Favored     5   50.030     6  0.91     8  0.45  molprobity  1.000  
 78   78  mt        -71.0   -39.0  Favored    11   49.230     8  0.49    11  0.23  molprobity  1.000  
 79   79  m         -65.2   -46.9  Favored     5   67.420     6  0.43     8  0.47  molprobity  1.000  
 80   80  m-20      -59.5   -41.6  Favored     6   67.300     8  0.24    11  0.57  molprobity  1.000  
 81   81  p        -111.4    29.3  Favored     7   55.690     7  0.23    10  0.56  molprobity  1.000  
 82   82  p        -144.8   -35.1  Allowed     7   52.630     7  0.65    10  0.70  molprobity  1.000  
 83   83  ?         111.4   -26.4  Favored     3   62.620     4  0.63     5  0.54  molprobity  1.000  
 84   84  m         -55.6   135.2  Favored     9   65.340     7  0.28    10  0.99  molprobity  1.000  
 85   85  tt0       -53.7   157.9  Favored     6   65.990     9  0.27    12  0.58  molprobity  1.000  
 86   86  ttmm      -86.9   125.7  Favored    13   65.020     9  0.28    12  0.70  molprobity  1.000  
 87   87  Cg_endo   -74.3   148.7  Favored     7   57.150     8  0.31    11  0.43  molprobity  1.000  
 88   88  mttp      -71.2   -44.1  Favored    13   65.920     9  0.34    11  0.73  molprobity  1.000  
 89   89  m-85      -98.0   164.1  Favored     9   58.140    12  0.44    16  0.54  molprobity  1.000  
 90   90  mt        -77.3   116.2  Favored    11   34.560     8  0.62    12  0.59  molprobity  1.000  
 91   91  Cg_endo   -85.9  -177.6  Favored     7   30.970     8  0.34    11  0.67  molprobity  1.000  
 92   92  m-20      -91.3   -42.8  Favored     4   27.450     8  0.57    11  0.42  molprobity  1.000  
 93   93  mt       -141.9   159.6  Favored    11   33.760     8  0.69    11  0.65  molprobity  1.000  
 94   94  t80      -119.2   142.2  Favored     9   39.190    13  0.36    18  0.66  molprobity  1.000  
 95   95  t0       -114.4   122.2  Favored     4   38.320     8  0.49    11  0.93  molprobity  1.000  
 96   96  m-85      -87.7   -29.2  Favored     9   43.750    13  0.40    18  0.73  molprobity  1.000  
 97   97  OUTLIER   -67.6   -46.2  Favored    13   53.750     9  0.49    11  1.12  molprobity  1.000  
 98   98  mm-40    -101.1    -4.0  Favored     6   54.900     9  0.60    12  0.61  molprobity  1.000  
 99   99  m120       54.4    61.3  Favored     6   53.720     8  0.51    11  0.75  molprobity  1.000  
100  100  ptt180   -156.8   149.6  Favored    13   45.430    11  0.38    14  0.93  molprobity  1.000  
101  101  m-85      -74.8   158.1  Favored     9   38.150    12  0.46    16  0.40  molprobity  1.000  
102  102  mt       -127.8   136.2  Favored    11   38.160     8  0.40    11  0.64  molprobity  1.000  
103  103  tp10     -107.9   119.7  Favored     6   30.770     9  0.31    12  0.72  molprobity  1.000  
104  104  mm        -93.2   125.7  Favored    11   31.260     8  0.34    11  0.39  molprobity  1.000  
105  105  ?        -119.0   134.9  Favored     3   27.030     4  0.38     5  0.90  molprobity  1.000  
106  106  t        -128.6   129.5  Favored     9   26.150     7  0.42    10  0.54  molprobity  1.000  
107  107  t        -143.9   142.1  Favored     7   32.050     7  0.47    10  0.44  molprobity  1.000  
108  108  OUTLIER   -95.8    12.8  Favored    13   35.590    11  0.38    14  1.06  molprobity  1.000  
109  109  mtm180    -98.0  -152.0  Allowed    13   41.030    11  0.26    14  0.93  molprobity  1.000  
110  110  mp0       -86.6   152.2  Favored     6   57.150     9  0.30    12  0.52  molprobity  1.000  
111  111  m         -70.5   -47.3  Favored     9   44.540     7  0.46    10  0.86  molprobity  1.000  
112  112  p-80      -63.3   -33.7  Favored     7   62.200    11  0.51    15  0.36  molprobity  1.000  
113  113  mt        -60.7   -54.6  Favored    11   49.900     8  0.35    11  0.18  molprobity  1.000  
114  114  t80       -66.7   -42.1  Favored     9   44.450    13  0.26    18  0.61  molprobity  1.000  
115  115  t80       -50.9   -53.1  Favored     9   42.980    13  0.32    18  0.54  molprobity  1.000  
116  116  mt        -55.8   -49.1  Favored    11   43.120     8  0.30    11  0.49  molprobity  1.000  
117  117  tt0       -56.1   -41.0  Favored     6   51.570     9  0.28    12  0.18  molprobity  1.000  
118  118  mttm      -73.7   -42.2  Favored    13   53.730     9  0.22    11  0.51  molprobity  1.000  
119  119  ?         -65.8   -24.3  Favored     5   43.920     5  0.53     7  0.52  molprobity  1.000  
120  120  t30       -78.7   -32.3  Favored     6   45.190     8  0.41    11  0.60  molprobity  1.000  
121  121  tttp      -78.0   -19.0  Favored    13   51.910     9  0.40    11  0.65  molprobity  1.000  
122  122  pt       -131.4    32.6  Allowed    11   50.190     8  0.60    11  0.57  molprobity  1.000  
123  123  mtmm      -47.2   -40.7  Favored    13   66.310     9  0.29    11  0.81  molprobity  1.000  
124  124  m         -79.1    -3.4  Favored     5   80.910     6  0.63     8  0.39  molprobity  1.000  
125  125  mt-10    -111.5   147.0  Favored     6   74.580     9  0.30    12  0.46  molprobity  1.000  
126  126  mttm      -91.2    33.6  Allowed    13   64.570     9  0.67    11  0.62  molprobity  1.000  
127  127  m         -85.6   133.0  Favored     7   48.760     7  0.33    10  0.49  molprobity  1.000  
128  128  t60       -72.3   131.2  Favored     7   45.610    11  0.34    15  0.59  molprobity  1.000  
129  129  mt       -106.8   132.6  Favored    11   35.250     8  0.27    11  0.55  molprobity  1.000  
130  130  t-160    -131.0   128.3  Favored     7   29.770    11  0.50    15  0.88  molprobity  1.000  
131  131  mm       -124.5   127.7  Favored    11   28.690     8  0.11    11  0.71  molprobity  1.000  
132  132  m-85     -117.2   140.2  Favored     9   31.430    12  0.28    16  0.43  molprobity  1.000  
133  133  p        -104.0  -174.4  Favored     5   28.960     6  1.22     8  0.78  molprobity  1.000  
134  134  m-85      -98.4    23.5  Favored     9   26.370    12  0.28    16  0.30  molprobity  1.000  
135  135  p        -124.0     5.2  Favored     7   31.180     7  0.31    10  0.41  molprobity  1.000  
136  136  ?          80.9    16.9  Favored     3   37.690     4  0.25     5  0.69  molprobity  1.000  
137  137  mt-10    -102.3   132.3  Favored     6   52.540     9  0.35    12  0.55  molprobity  1.000  
138  138  pt-20    -122.0   173.0  Favored     6   40.920     9  0.96    12  1.05  molprobity  1.000  
139  139  ttm      -157.9   131.3  Favored     9   42.240     8  0.30    10  0.57  molprobity  1.000  
140  140  ?        -133.9   139.3  Favored     5   41.630     5  0.44     7  0.70  molprobity  1.000  
141  141  p         -51.1   133.4  Favored     7   45.750     7  0.89    10  1.62  molprobity  1.000  
142  142  tptt       57.4    28.3  Favored    13   61.890     9  0.47    11  1.66  molprobity  1.000  
143  143  ?          39.1    41.6  Allowed     5   48.490     5  0.50     7  0.34  molprobity  1.000  
144  144  t0       -103.9   102.9  Favored     4   48.910     8  0.37    11  0.83  molprobity  1.000  
145  145  m-85      -87.8     1.2  Favored     9   45.190    13  0.32    18  0.81  molprobity  1.000  
146  146  m          70.5   -52.8  Allowed     7   37.920     7  0.49    10  0.80  molprobity  1.000  
147  147  mt        -93.6   159.9  Favored    11   38.920     8  0.38    11  0.47  molprobity  1.000  
148  148  p30       -72.6   161.9  Favored     4   47.090     8  0.39    11  0.62  molprobity  1.000  
149  149  tp10      -64.0   -38.5  Favored     6   56.200     9  1.05    12  0.77  molprobity  1.000  
150  150  tt0       -48.0   -51.3  Favored     6   49.690     9  0.52    12  0.58  molprobity  1.000  
151  151  m         -64.3   -40.4  Favored     5   42.180     6  0.71     8  0.45  molprobity  1.000  
152  152  mtm180    -70.8   -36.3  Favored    13   37.730    11  0.56    14  0.81  molprobity  1.000  
153  153  ?         -59.5   -43.5  Favored     5   33.710     5  0.27     7  0.63  molprobity  1.000  
154  154  mtt85     -60.1   -48.4  Favored    13   51.870    11  0.42    14  0.64  molprobity  1.000  
155  155  mt        -60.7   -51.1  Favored    11   31.200     8  0.46    11  0.25  molprobity  1.000  
156  156  mttt      -54.6   -44.6  Favored    13   31.250     9  0.38    11  0.46  molprobity  1.000  
157  157  m         -62.8   -41.0  Favored     7   28.670     7  0.58    10  0.59  molprobity  1.000  
158  158  tpt85     -60.8   -46.0  Favored    13   30.310    11  0.50    14  0.73  molprobity  1.000  
159  159  mt        -63.2   -48.3  Favored    11   24.150     8  0.18    11  0.37  molprobity  1.000  
160  160  t80       -58.6   -39.4  Favored     9   26.220    12  0.30    16  0.38  molprobity  1.000  
161  161  m         -64.6   -45.9  Favored     7   24.810     7  0.40    10  0.42  molprobity  1.000  
162  162  mt        -54.5   -44.6  Favored    11   22.600     8  0.38    11  0.43  molprobity  1.000  
163  163  ttt180    -59.9   -43.9  Favored    13   26.170    11  0.65    14  0.81  molprobity  1.000  
164  164  mm-40     -79.4   -27.7  Favored     8   23.870     9  0.73    12  0.65  molprobity  1.000  
165  165  mm-40     -67.8   -43.2  Favored     6   40.920     9  0.81    12  0.48  molprobity  1.000  
166  166  mtt       -65.7   -50.7  Favored     9   32.840     8  0.38    10  0.53  molprobity  1.000  
167  167  ?         -51.7   -44.4  Favored     5   33.120     5  0.62     7  0.91  molprobity  1.000  
168  168  t         -52.7   -32.2  Favored     5   40.020     6  0.88     8  0.67  molprobity  1.000  
169  169  mtt-85   -105.1    11.2  Favored    13   45.430    11  0.51    14  0.89  molprobity  1.000  
170  170  m          59.8    35.2  Favored     5   42.410     6  0.87     8  0.62  molprobity  1.000  
171  171  mt       -104.7   -14.2  Favored    11   34.570     8  0.43    11  0.47  molprobity  1.000  
172  172  t-105     -70.1   -42.4  Favored    10   28.250    16  0.26    23  0.41  molprobity  1.000  
173  173  OUTLIER   -66.2   -40.7  Favored     4   38.740     8  0.50    11  0.56  molprobity  1.000  
174  174  t         -58.1   -54.6  Favored     5   38.720     6  0.88     8  0.74  molprobity  1.000  
175  175  t80       -60.2   -43.7  Favored     9   35.220    12  0.50    16  0.32  molprobity  1.000  
176  176  ttp85     -61.4   -43.7  Favored    13   48.350    11  0.44    14  1.15  molprobity  1.000  
177  177  mt-30     -87.1    12.3  Favored     8   36.920     9  0.25    12  0.45  molprobity  1.000  
178  178  OUTLIER  -114.7     5.6  Favored     5   39.540     6  0.27     8  0.74  molprobity  1.000  
179  179  tt0       -77.0   124.5  Favored     6   55.290     9  1.02    12  0.91  molprobity  1.000  
180  180  OUTLIER       ?       ?  ?          13   78.350    10  0.56    11  1.04  molprobity  1.000  
181  181  ?             ?       ?  ?           ?   35.380    10  2.14    10  1.88  mogul       1.000  
182  182  ?             ?       ?  ?           ?   34.400     ?     ?     ?     ?  ?           1.000  
183  183  ?             ?       ?  ?           ?   29.180     ?     ?     ?     ?  ?           1.000  
184  184  ?             ?       ?  ?           ?   21.560     ?     ?     ?     ?  ?           1.000  
185  185  ?             ?       ?  ?           ?   24.740     ?     ?     ?     ?  ?           1.000  
186  186  ?             ?       ?  ?           ?   23.470     ?     ?     ?     ?  ?           1.000  
187  187  ?             ?       ?  ?           ?   24.190     ?     ?     ?     ?  ?           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    2  HB3    1  0.52  1.89  
 2    3  OE2    2  0.57  2.38  
 3    7  NH1    2  0.57  2.38  
 4   33  HB     1  0.52  1.89  
 5   44  OE1    3  0.43  2.51  
 6   57  O      4  0.59  2.02  
 7   57  HE2    4  0.59  2.02  
 8   59  NE     5  0.43  2.33  
 9   61  OE1    6  0.46  2.24  
10   95  OD2    7  0.47  2.14  
11   95  OD2    8  0.42  2.67  
12   96  OH     6  0.46  2.24  
13   97  HG2    9  0.56  1.88  
14   97  HE3    7  0.47  2.14  
15   97  HD2    5  0.43  2.33  
16   97  CE     8  0.42  2.67  
17   98  HG2    9  0.56  1.88  
18  115  OH    10  0.97  1.64  
19  115  HH    11  0.51  1.72  
20  122  HD11  12  0.58  1.83  
21  129  HD11  12  0.58  1.83  
22  131  O     13  0.49  2.12  
23  138  OE2   14  0.57  2.38  
24  138  HA    13  0.49  2.12  
25  141  HG22  10  0.97  1.64  
26  141  HG22  11  0.51  1.72  
27  145  O     15  0.41  2.48  
28  147  N     15  0.41  2.48  
29  152  NH1   14  0.57  2.38  
30  158  NE     3  0.43  2.51  
31  163  HD2   16  0.47  2.49  
32  172  CZ2   16  0.47  2.49  
#
loop_
_pdbx_vrpt_instance_mogul_bond_outliers.ordinal
_pdbx_vrpt_instance_mogul_bond_outliers.instance_id
_pdbx_vrpt_instance_mogul_bond_outliers.atom_1
_pdbx_vrpt_instance_mogul_bond_outliers.atom_2
_pdbx_vrpt_instance_mogul_bond_outliers.obsval
_pdbx_vrpt_instance_mogul_bond_outliers.mean
_pdbx_vrpt_instance_mogul_bond_outliers.numobs
_pdbx_vrpt_instance_mogul_bond_outliers.stdev
_pdbx_vrpt_instance_mogul_bond_outliers.Zscore
_pdbx_vrpt_instance_mogul_bond_outliers.mindiff
1  181  OAK  CAH  1.23  1.30  3527  0.03  -2.39  0.00  
2  181  CAG  CAH  1.40  1.48   274  0.02  -3.88  0.02  
3  181  CAA  CAB  1.39  1.33   460  0.02   2.72  0.00  
4  181  CAA  CAE  1.39  1.45   800  0.03  -2.16  0.00  
5  181  CAF  CAE  1.39  1.45   136  0.02  -2.94  0.01  
#
loop_
_pdbx_vrpt_instance_mogul_angle_outliers.ordinal
_pdbx_vrpt_instance_mogul_angle_outliers.instance_id
_pdbx_vrpt_instance_mogul_angle_outliers.atom_1
_pdbx_vrpt_instance_mogul_angle_outliers.atom_2
_pdbx_vrpt_instance_mogul_angle_outliers.atom_3
_pdbx_vrpt_instance_mogul_angle_outliers.obsval
_pdbx_vrpt_instance_mogul_angle_outliers.mean
_pdbx_vrpt_instance_mogul_angle_outliers.numobs
_pdbx_vrpt_instance_mogul_angle_outliers.stdev
_pdbx_vrpt_instance_mogul_angle_outliers.Zscore
_pdbx_vrpt_instance_mogul_angle_outliers.mindiff
1  181  OAK  CAH  OAI  118.47  123.61  3537  2.29  -2.25  0.06  
2  181  OAC  CAG  CAF  117.80  120.21   151  0.93  -2.60  0.19  
3  181  CAA  CAE  CAF  118.70  115.04    81  1.02   3.59  0.19  
#
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   5  0.768  0.212   0.350  
  2    2   8  0.974  0.181  -0.124  
  3    3   9  0.958  0.140  -0.929  
  4    4   8  0.933  0.169  -0.288  
  5    5  11  0.954  0.212   0.038  
  6    6   7  0.949  0.145  -0.715  
  7    7  11  0.922  0.229   0.031  
  8    8   9  0.897  0.248   0.440  
  9    9   6  0.925  0.134  -0.401  
 10   10  11  0.963  0.211   0.026  
 11   11   8  0.933  0.187  -0.037  
 12   12   7  0.961  0.256   0.926  
 13   13   8  0.922  0.248   0.724  
 14   14   8  0.959  0.146  -0.809  
 15   15   7  0.973  0.182  -0.260  
 16   16   9  0.832  0.269   0.486  
 17   17   8  0.978  0.287   0.873  
 18   18   5  0.967  0.115  -0.850  
 19   19   9  0.914  0.196  -0.315  
 20   20   9  0.897  0.352   1.088  
 21   21   5  0.940  0.162  -0.269  
 22   22   8  0.940  0.195   0.053  
 23   23   9  0.943  0.294   0.506  
 24   24   9  0.874  0.211  -0.150  
 25   25  12  0.909  0.237   0.503  
 26   26   4  0.908  0.139  -0.403  
 27   27   9  0.919  0.346   1.330  
 28   28   8  0.923  0.210   0.221  
 29   29   7  0.970  0.177  -0.086  
 30   30   9  0.949  0.263   0.195  
 31   31   8  0.954  0.217   0.061  
 32   32   9  0.939  0.162  -0.688  
 33   33   7  0.970  0.124  -0.812  
 34   34   8  0.980  0.153  -0.484  
 35   35   9  0.953  0.192  -0.518  
 36   36  11  0.969  0.159  -0.596  
 37   37   5  0.964  0.124  -0.739  
 38   38   5  0.967  0.201   0.214  
 39   39   8  0.961  0.178  -0.417  
 40   40   6  0.987  0.133  -0.416  
 41   41   7  0.984  0.136  -0.649  
 42   42  10  0.983  0.151  -0.509  
 43   43   8  0.949  0.199  -0.195  
 44   44   9  0.950  0.171  -0.589  
 45   45   7  0.979  0.204   0.011  
 46   46   6  0.975  0.193   0.530  
 47   47  11  0.966  0.163  -0.549  
 48   48   8  0.967  0.159  -0.403  
 49   49  12  0.972  0.179  -0.255  
 50   50   6  0.965  0.138  -0.529  
 51   51   8  0.865  0.221   0.358  
 52   52  11  0.944  0.180  -0.345  
 53   53   4  0.904  0.120  -0.625  
 54   54   5  0.731  0.229   0.561  
 55   55   8  0.740  0.563   4.222  
 56   56   8  0.861  0.493   3.373  
 57   57   9  0.833  0.390   1.470  
 58   58  10  0.939  0.271   1.057  
 59   59  11  0.856  0.314   0.932  
 60   60  11  0.950  0.173  -0.429  
 61   61   9  0.923  0.181  -0.479  
 62   62   8  0.967  0.211  -0.012  
 63   63   8  0.978  0.203  -0.110  
 64   64   9  0.979  0.132  -1.016  
 65   65   4  0.959  0.179   0.066  
 66   66  11  0.891  0.167  -0.627  
 67   67   8  0.931  0.141  -0.636  
 68   68  11  0.881  0.221  -0.054  
 69   69   8  0.948  0.209  -0.037  
 70   70   8  0.862  0.191   0.003  
 71   71   5  0.948  0.160  -0.293  
 72   72  14  0.949  0.168  -0.361  
 73   73   7  0.933  0.182  -0.023  
 74   74   7  0.976  0.114  -1.096  
 75   75   7  0.966  0.122  -0.998  
 76   76   8  0.923  0.135  -0.720  
 77   77   6  0.960  0.178   0.005  
 78   78   8  0.966  0.153  -0.723  
 79   79   6  0.925  0.165   0.088  
 80   80   8  0.912  0.243   0.699  
 81   81   7  0.928  0.205   0.290  
 82   82   7  0.943  0.166  -0.241  
 83   83   4  0.847  0.317   1.681  
 84   84   7  0.877  0.238   0.429  
 85   85   9  0.897  0.228   0.036  
 86   86   9  0.934  0.202  -0.418  
 87   87   7  0.972  0.143  -0.521  
 88   88   9  0.907  0.328   0.847  
 89   89  11  0.906  0.216   0.086  
 90   90   8  0.957  0.267   0.630  
 91   91   7  0.982  0.191   0.093  
 92   92   8  0.980  0.160  -0.400  
 93   93   8  0.966  0.202  -0.159  
 94   94  12  0.955  0.172  -0.346  
 95   95   8  0.945  0.141  -0.636  
 96   96  12  0.952  0.172  -0.346  
 97   97   9  0.764  0.277   0.335  
 98   98   9  0.911  0.245   0.223  
 99   99   8  0.905  0.188  -0.024  
100  100  11  0.946  0.159  -0.712  
101  101  11  0.955  0.175  -0.405  
102  102   8  0.971  0.161  -0.625  
103  103   9  0.971  0.179  -0.501  
104  104   8  0.980  0.172  -0.490  
105  105   4  0.950  0.141  -0.379  
106  106   7  0.956  0.158  -0.555  
107  107   7  0.969  0.160  -0.322  
108  108  11  0.926  0.181  -0.478  
109  109  11  0.954  0.217  -0.097  
110  110   9  0.890  0.323   1.078  
111  111   7  0.947  0.172  -0.383  
112  112  10  0.920  0.216   0.339  
113  113   8  0.971  0.260   0.588  
114  114  12  0.916  0.223   0.320  
115  115  12  0.974  0.196  -0.033  
116  116   8  0.977  0.225   0.120  
117  117   9  0.934  0.192  -0.359  
118  118   9  0.920  0.197  -0.468  
119  119   5  0.955  0.179  -0.058  
120  120   8  0.942  0.209   0.252  
121  121   9  0.911  0.247   0.034  
122  122   8  0.936  0.170  -0.515  
123  123   9  0.851  0.327   0.837  
124  124   6  0.862  0.460   3.770  
125  125   9  0.895  0.255   0.332  
126  126   9  0.888  0.308   0.647  
127  127   7  0.969  0.139  -0.608  
128  128  10  0.940  0.185  -0.065  
129  129   8  0.977  0.150  -0.760  
130  130  10  0.984  0.133  -0.744  
131  131   8  0.983  0.157  -0.674  
132  132  11  0.969  0.144  -0.776  
133  133   6  0.943  0.163  -0.195  
134  134  11  0.982  0.148  -0.728  
135  135   7  0.942  0.135  -0.663  
136  136   4  0.966  0.120  -0.625  
137  137   9  0.878  0.264   0.431  
138  138   9  0.964  0.118  -1.170  
139  139   8  0.950  0.163  -0.352  
140  140   5  0.937  0.150  -0.417  
141  141   7  0.939  0.148  -0.486  
142  142   9  0.912  0.375   1.319  
143  143   5  0.965  0.160  -0.293  
144  144   8  0.934  0.168  -0.301  
145  145  12  0.954  0.198  -0.007  
146  146   7  0.955  0.139  -0.608  
147  147   8  0.956  0.158  -0.693  
148  148   8  0.937  0.156  -0.450  
149  149   9  0.828  0.298   0.804  
150  150   9  0.938  0.169  -0.611  
151  151   6  0.968  0.105  -0.969  
152  152  11  0.931  0.201  -0.266  
153  153   5  0.969  0.131  -0.652  
154  154  11  0.902  0.252   0.275  
155  155   8  0.978  0.176  -0.441  
156  156   9  0.980  0.160  -0.839  
157  157   7  0.948  0.116  -0.921  
158  158  11  0.946  0.175  -0.542  
159  159   8  0.971  0.181  -0.414  
160  160  11  0.976  0.154  -0.656  
161  161   7  0.979  0.089  -1.288  
162  162   8  0.987  0.141  -0.870  
163  163  11  0.961  0.156  -0.743  
164  164   9  0.968  0.147  -0.764  
165  165   9  0.919  0.177  -0.523  
166  166   8  0.964  0.139  -0.656  
167  167   5  0.955  0.159  -0.306  
168  168   6  0.946  0.220   0.566  
169  169  11  0.896  0.301   0.794  
170  170   6  0.938  0.207   0.393  
171  171   8  0.961  0.148  -0.814  
172  172  14  0.978  0.147  -0.655  
173  173   8  0.948  0.137  -0.686  
174  174   6  0.973  0.141  -0.489  
175  175  11  0.978  0.158  -0.608  
176  176  11  0.912  0.192  -0.362  
177  177   9  0.975  0.121  -1.074  
178  178   6  0.952  0.114  -0.849  
179  179   9  0.909  0.246   0.234  
180  180  11  0.675  0.403   1.876  
181  181  11  0.985  0.130       ?  
182  182   1  0.990  0.091       ?  
183  183   1  0.993  0.132       ?  
184  184   1  0.971  0.151       ?  
185  185   1  0.998  0.126       ?  
186  186   1  0.796  0.993       ?  
187  187   1  0.913  0.321       ?  
#
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        "1.8.5 (274361), CSD as541be (2020)"                                  Y  
3  eds          2.35.1                                                                Y  
4  dcc          '"2.27  (2023-04-10)"'                                                Y  
5  xtriage      1.13                                                                  Y  
6  percentiles  "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
