data_6MQI

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  6MQI
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    6MQI
_pdbx_vrpt_summary.PDB_deposition_date         2018-10-09
_pdbx_vrpt_summary.PDB_revision_number         4
_pdbx_vrpt_summary.PDB_revision_date           2023-10-11
_pdbx_vrpt_summary.report_creation_date        2024-06-11:20:35
_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      "Cellular retinoic acid-binding protein 2"  
2  non-polymer  RETINAL  
3  water        water  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  2  
C  3  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all   x-ray  
2  1.87  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   26.75  141614     ?     ?  
 2  2  1   16.43   10282  1.86  1.90  
 3  1  2  100.00  138981     ?     ?  
 4  2  2  100.00   10152  1.86  1.90  
 5  1  3   62.50  138945     ?     ?  
 6  2  3   56.21   10152  1.86  1.90  
 7  1  4   42.35  127900     ?     ?  
 8  2  4   43.70    9303  1.86  1.90  
 9  1  5   27.11  130704     ?     ?  
10  2  5   12.49    9470  1.86  1.90  
#
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  100.00  
2  4  2  A  1  1  A  100.00  
3  5  3  A  1  1  A   50.02  
4  6  3  A  1  1  A   41.08  
5  7  4  A  1  1  A   42.35  
6  8  4  A  1  1  A   43.70  
#
_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      0.61
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ       0.38
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ   1187
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ  1601
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  0.00
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       1.63
_pdbx_vrpt_summary_geometry.clashscore                     10.17
_pdbx_vrpt_summary_geometry.num_H_reduce                   1188
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 1187
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.38
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                1601
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.61
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.Babinet_b                 97.739
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            33.977
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         31.988
_pdbx_vrpt_summary_diffraction.I_over_sigma              3.52(1.87A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        17236
_pdbx_vrpt_summary_diffraction.Babinet_k                 0.312
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.345
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.487
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.317
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.956
_pdbx_vrpt_summary_diffraction.twin_fraction             -h,-k,l:0.044
_pdbx_vrpt_summary_diffraction.DCC_R                     0.22
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.26
_pdbx_vrpt_summary_diffraction.EDS_R                     0.22
_pdbx_vrpt_summary_diffraction.EDS_res_high              1.87
_pdbx_vrpt_summary_diffraction.EDS_res_low               45.53
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[36.784,36.784,24.705,-0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.369
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 5.28% 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         99.94
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      1728
_pdbx_vrpt_summary_diffraction.percent_free_reflections  10.03
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     3.65
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       1.87
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        45.53
_pdbx_vrpt_summary_diffraction.PDB_R                     0.22
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.26
#
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
  1  1  1  A    1  PRO  A    1  .  ?        ?     ?  
  2  1  1  A    2  ASN  A    2  .  ?        2     ?  
  3  1  1  A    3  PHE  A    3  .  ?        ?     ?  
  4  1  1  A    4  SER  A    4  .  ?        ?     ?  
  5  1  1  A    5  GLY  A    5  .  ?        ?     ?  
  6  1  1  A    6  ASN  A    6  .  ?        ?     ?  
  7  1  1  A    7  TRP  A    7  .  ?        ?     ?  
  8  1  1  A    8  LYS  A    8  .  ?        ?     ?  
  9  1  1  A    9  ILE  A    9  .  ?        ?     ?  
 10  1  1  A   10  ILE  A   10  .  ?        ?     ?  
 11  1  1  A   11  ARG  A   11  .  ?        ?     ?  
 12  1  1  A   12  SER  A   12  .  ?        ?     ?  
 13  1  1  A   13  GLU  A   13  .  ?        ?     ?  
 14  1  1  A   14  ASN  A   14  A  ?        ?     ?  
 15  1  1  A   14  ASN  A   14  B  ?        1     ?  
 16  1  1  A   15  PHE  A   15  .  ?        ?     ?  
 17  1  1  A   16  GLU  A   16  .  ?        ?     ?  
 18  1  1  A   17  GLU  A   17  .  ?        ?     ?  
 19  1  1  A   18  LEU  A   18  .  ?        ?     ?  
 20  1  1  A   19  LEU  A   19  .  ?        ?     ?  
 21  1  1  A   20  LYS  A   20  .  ?        ?     ?  
 22  1  1  A   21  VAL  A   21  .  ?        ?     ?  
 23  1  1  A   22  LEU  A   22  .  ?        1     ?  
 24  1  1  A   23  GLY  A   23  .  ?        ?     ?  
 25  1  1  A   24  VAL  A   24  .  ?        ?     ?  
 26  1  1  A   25  ASN  A   25  A  ?        1     ?  
 27  1  1  A   25  ASN  A   25  B  ?        3     ?  
 28  1  1  A   26  VAL  A   26  .  ?        ?     ?  
 29  1  1  A   27  MET  A   27  .  ?        ?     ?  
 30  1  1  A   28  LEU  A   28  .  ?        2     ?  
 31  1  1  A   29  ARG  A   29  .  ?        2     ?  
 32  1  1  A   30  LYS  A   30  .  ?        ?     ?  
 33  1  1  A   31  ILE  A   31  .  ?        ?     ?  
 34  1  1  A   32  ALA  A   32  .  ?        ?     ?  
 35  1  1  A   33  VAL  A   33  .  ?        ?     ?  
 36  1  1  A   34  ALA  A   34  .  ?        ?     ?  
 37  1  1  A   35  ALA  A   35  .  ?        ?     ?  
 38  1  1  A   36  ALA  A   36  .  ?        ?     ?  
 39  1  1  A   37  SER  A   37  .  ?        ?     ?  
 40  1  1  A   38  LYS  A   38  .  ?        ?     ?  
 41  1  1  A   39  TYR  A   39  A  ?        ?     ?  
 42  1  1  A   39  TYR  A   39  B  ?        2     ?  
 43  1  1  A   40  ALA  A   40  .  ?        ?     ?  
 44  1  1  A   41  VAL  A   41  .  ?        ?     ?  
 45  1  1  A   42  GLU  A   42  .  ?        ?     ?  
 46  1  1  A   43  ILE  A   43  .  ?        ?     ?  
 47  1  1  A   44  LYS  A   44  .  ?        ?     ?  
 48  1  1  A   45  GLN  A   45  .  ?        ?     ?  
 49  1  1  A   46  GLU  A   46  .  ?        ?     ?  
 50  1  1  A   47  GLY  A   47  .  ?        ?     ?  
 51  1  1  A   48  ASP  A   48  A  ?        ?     ?  
 52  1  1  A   48  ASP  A   48  B  ?        ?     ?  
 53  1  1  A   49  THR  A   49  .  ?        ?     ?  
 54  1  1  A   50  PHE  A   50  .  ?        ?     ?  
 55  1  1  A   51  TYR  A   51  .  ?        ?     ?  
 56  1  1  A   52  ILE  A   52  .  ?        2     ?  
 57  1  1  A   53  LYS  A   53  .  ?        ?     ?  
 58  1  1  A   54  VAL  A   54  .  ?        2     ?  
 59  1  1  A   55  SER  A   55  A  ?        ?     ?  
 60  1  1  A   55  SER  A   55  B  ?        ?     ?  
 61  1  1  A   56  THR  A   56  A  ?        ?     ?  
 62  1  1  A   56  THR  A   56  B  ?        ?     ?  
 63  1  1  A   57  THR  A   57  .  ?        ?     ?  
 64  1  1  A   58  VAL  A   58  .  ?        ?     ?  
 65  1  1  A   59  TYR  A   59  .  ?        ?     ?  
 66  1  1  A   60  THR  A   60  .  ?        ?     ?  
 67  1  1  A   61  THR  A   61  .  ?        ?     ?  
 68  1  1  A   62  GLU  A   62  .  ?        ?     ?  
 69  1  1  A   63  ILE  A   63  .  ?        1     ?  
 70  1  1  A   64  ASN  A   64  .  ?        ?     ?  
 71  1  1  A   65  PHE  A   65  .  ?        ?     ?  
 72  1  1  A   66  LYS  A   66  .  ?        ?     ?  
 73  1  1  A   67  VAL  A   67  .  ?        ?     ?  
 74  1  1  A   68  GLY  A   68  .  ?        ?     ?  
 75  1  1  A   69  GLU  A   69  .  ?        ?     ?  
 76  1  1  A   70  GLU  A   70  .  ?        ?     ?  
 77  1  1  A   71  PHE  A   71  .  ?        ?     ?  
 78  1  1  A   72  GLU  A   72  .  ?        1     ?  
 79  1  1  A   73  GLU  A   73  .  ?        ?     ?  
 80  1  1  A   74  GLN  A   74  .  ?        ?     ?  
 81  1  1  A   75  THR  A   75  .  ?        ?     ?  
 82  1  1  A   76  VAL  A   76  .  ?        ?     ?  
 83  1  1  A   77  ASP  A   77  .  ?        2     ?  
 84  1  1  A   78  GLY  A   78  .  ?        ?     ?  
 85  1  1  A   79  ARG  A   79  A  ?        ?     ?  
 86  1  1  A   79  ARG  A   79  B  ?        1     ?  
 87  1  1  A   80  PRO  A   80  .  ?        ?     ?  
 88  1  1  A   81  CYS  A   81  .  ?        ?     ?  
 89  1  1  A   82  LYS  A   82  .  ?        3     ?  
 90  1  1  A   83  SER  A   83  .  ?        ?     ?  
 91  1  1  A   84  LEU  A   84  .  ?        ?     ?  
 92  1  1  A   85  VAL  A   85  .  ?        ?     ?  
 93  1  1  A   86  LYS  A   86  .  ?        ?     ?  
 94  1  1  A   87  TRP  A   87  .  ?        ?     ?  
 95  1  1  A   88  GLU  A   88  .  ?        ?     ?  
 96  1  1  A   89  SER  A   89  .  ?        ?     ?  
 97  1  1  A   90  GLU  A   90  .  ?        ?     ?  
 98  1  1  A   91  ASN  A   91  .  ?        ?     ?  
 99  1  1  A   92  LYS  A   92  .  ?        ?     ?  
100  1  1  A   93  MET  A   93  .  ?        ?     ?  
101  1  1  A   94  VAL  A   94  A  ?        ?     ?  
102  1  1  A   94  VAL  A   94  B  ?        1     ?  
103  1  1  A   95  CYS  A   95  .  ?        ?     ?  
104  1  1  A   96  GLU  A   96  .  ?        1     ?  
105  1  1  A   97  GLN  A   97  .  ?        ?     ?  
106  1  1  A   98  LYS  A   98  .  ?        ?     ?  
107  1  1  A   99  LEU  A   99  .  ?        ?     ?  
108  1  1  A  100  LEU  A  100  .  ?        2     ?  
109  1  1  A  101  LYS  A  101  .  ?        ?     ?  
110  1  1  A  102  GLY  A  102  .  ?        ?     ?  
111  1  1  A  103  GLU  A  103  .  ?        ?     ?  
112  1  1  A  104  GLY  A  104  .  ?        ?     ?  
113  1  1  A  105  PRO  A  105  .  ?        ?     ?  
114  1  1  A  106  LYS  A  106  .  ?        ?     ?  
115  1  1  A  107  THR  A  107  .  ?        ?     ?  
116  1  1  A  108  SER  A  108  .  ?        ?     ?  
117  1  1  A  109  TRP  A  109  .  ?        ?     ?  
118  1  1  A  110  THR  A  110  .  ?        1     ?  
119  1  1  A  111  LYS  A  111  .  ?        3     ?  
120  1  1  A  112  GLU  A  112  .  ?        ?     ?  
121  1  1  A  113  LEU  A  113  .  ?        ?     ?  
122  1  1  A  114  THR  A  114  .  ?        ?     ?  
123  1  1  A  115  ASN  A  115  .  ?        ?     ?  
124  1  1  A  116  ASP  A  116  .  ?        ?     ?  
125  1  1  A  117  GLY  A  117  .  ?        ?     ?  
126  1  1  A  118  GLU  A  118  .  ?        ?     ?  
127  1  1  A  119  LEU  A  119  .  ?        ?     ?  
128  1  1  A  120  ILE  A  120  .  ?        ?     ?  
129  1  1  A  121  GLN  A  121  A  ?        1     ?  
130  1  1  A  121  GLN  A  121  B  ?        ?     ?  
131  1  1  A  122  THR  A  122  .  ?        ?     ?  
132  1  1  A  123  MET  A  123  .  ?        ?     ?  
133  1  1  A  124  THR  A  124  .  ?        ?     ?  
134  1  1  A  125  ALA  A  125  .  ?        1     ?  
135  1  1  A  126  ASP  A  126  .  ?        ?     ?  
136  1  1  A  127  ASP  A  127  .  ?        ?     ?  
137  1  1  A  128  VAL  A  128  .  ?        2     ?  
138  1  1  A  129  VAL  A  129  .  ?        ?     ?  
139  1  1  A  130  CYS  A  130  .  ?        ?     ?  
140  1  1  A  131  THR  A  131  .  ?        ?     ?  
141  1  1  A  132  GLN  A  132  .  ?        ?     ?  
142  1  1  A  133  VAL  A  133  .  ?        ?     ?  
143  1  1  A  134  PHE  A  134  .  ?        ?     ?  
144  1  1  A  135  VAL  A  135  .  ?        ?     ?  
145  1  1  A  136  ARG  A  136  .  ?        ?     ?  
146  1  1  A  137  GLU  A  137  .  ?        ?     ?  
147  1  2  B    .  RET  A  201  .  ?        9     1  
148  1  3  C    .  HOH  A  301  .  ?        1     ?  
149  1  3  C    .  HOH  A  302  .  ?        ?     ?  
150  1  3  C    .  HOH  A  303  .  ?        ?     ?  
151  1  3  C    .  HOH  A  304  .  ?        ?     ?  
152  1  3  C    .  HOH  A  305  .  ?        ?     ?  
153  1  3  C    .  HOH  A  306  .  ?        ?     ?  
154  1  3  C    .  HOH  A  307  .  ?        ?     ?  
155  1  3  C    .  HOH  A  308  .  ?        ?     ?  
156  1  3  C    .  HOH  A  309  .  ?        ?     ?  
157  1  3  C    .  HOH  A  310  .  ?        ?     ?  
158  1  3  C    .  HOH  A  311  .  ?        ?     ?  
159  1  3  C    .  HOH  A  312  .  ?        ?     ?  
160  1  3  C    .  HOH  A  313  .  ?        ?     ?  
161  1  3  C    .  HOH  A  314  .  ?        ?     ?  
162  1  3  C    .  HOH  A  315  .  ?        ?     ?  
163  1  3  C    .  HOH  A  316  .  ?        ?     ?  
164  1  3  C    .  HOH  A  317  .  ?        ?     ?  
165  1  3  C    .  HOH  A  318  .  ?        ?     ?  
166  1  3  C    .  HOH  A  319  .  ?        ?     ?  
167  1  3  C    .  HOH  A  320  .  ?        ?     ?  
168  1  3  C    .  HOH  A  321  .  ?        ?     ?  
169  1  3  C    .  HOH  A  322  .  ?        ?     ?  
170  1  3  C    .  HOH  A  323  .  ?        ?     ?  
171  1  3  C    .  HOH  A  324  .  ?        ?     ?  
172  1  3  C    .  HOH  A  325  .  ?        ?     ?  
173  1  3  C    .  HOH  A  326  .  ?        ?     ?  
174  1  3  C    .  HOH  A  327  .  ?        ?     ?  
175  1  3  C    .  HOH  A  328  .  ?        ?     ?  
176  1  3  C    .  HOH  A  329  .  ?        ?     ?  
177  1  3  C    .  HOH  A  330  .  ?        ?     ?  
178  1  3  C    .  HOH  A  331  .  ?        ?     ?  
179  1  3  C    .  HOH  A  332  .  ?        ?     ?  
180  1  3  C    .  HOH  A  333  .  ?        ?     ?  
181  1  3  C    .  HOH  A  334  .  ?        ?     ?  
182  1  3  C    .  HOH  A  335  .  ?        ?     ?  
183  1  3  C    .  HOH  A  336  .  ?        ?     ?  
184  1  3  C    .  HOH  A  337  .  ?        ?     ?  
185  1  3  C    .  HOH  A  338  .  ?        ?     ?  
186  1  3  C    .  HOH  A  339  .  ?        ?     ?  
187  1  3  C    .  HOH  A  340  .  ?        ?     ?  
188  1  3  C    .  HOH  A  341  .  ?        ?     ?  
189  1  3  C    .  HOH  A  342  .  ?        ?     ?  
190  1  3  C    .  HOH  A  343  .  ?        ?     ?  
191  1  3  C    .  HOH  A  344  .  ?        ?     ?  
192  1  3  C    .  HOH  A  345  .  ?        ?     ?  
193  1  3  C    .  HOH  A  346  .  ?        ?     ?  
194  1  3  C    .  HOH  A  347  .  ?        ?     ?  
195  1  3  C    .  HOH  A  348  .  ?        ?     ?  
196  1  3  C    .  HOH  A  349  .  ?        ?     ?  
197  1  3  C    .  HOH  A  350  .  ?        ?     ?  
#
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  Cg_endo       ?       ?  ?           9  67.200     8  0.35    11  0.17  molprobity  1.000  
  2    2  p-10     -137.7    79.4  Allowed     6  56.790     8  0.33    11  0.65  molprobity  1.000  
  3    3  m-85      -65.3   -15.5  Favored     9  28.800    12  0.36    16  0.44  molprobity  1.000  
  4    4  m         -58.1   140.6  Favored     5  28.250     6  0.60     8  0.43  molprobity  1.000  
  5    5  ?         155.2   176.8  Favored     3  30.480     4  0.37     5  0.88  molprobity  1.000  
  6    6  m-80     -110.3   114.0  Favored     6  38.620     8  0.21    11  0.53  molprobity  1.000  
  7    7  m95      -111.5   133.4  Favored    10  26.920    16  0.40    23  0.25  molprobity  1.000  
  8    8  pttt     -119.6   137.4  Favored    13  37.730     9  0.35    11  0.54  molprobity  0.913  
  9    9  tt        -73.0   137.4  Favored    11  29.730     8  0.29    11  0.37  molprobity  1.000  
 10   10  pt       -115.2   -19.1  Favored    11  31.010     8  0.35    11  0.57  molprobity  1.000  
 11   11  ttp-105  -155.0   140.7  Favored    13  39.310    11  0.31    14  0.46  molprobity  1.000  
 12   12  t        -144.0   124.4  Favored     5  33.400     6  0.28     8  0.53  molprobity  1.000  
 13   13  mt-10    -129.1   134.9  Favored     6  44.150     9  0.24    12  0.59  molprobity  1.000  
 14   14  m-80       70.0    20.4  Favored     6  31.200     8  0.25    11  0.44  molprobity  1.000  
 15   15  m-80       70.0    20.4  Favored     6  31.200     8  0.25    11  0.44  molprobity  1.000  
 16   16  t80       -70.2   -39.9  Favored     9  31.600    12  0.38    16  0.47  molprobity  1.000  
 17   17  tt0       -60.5   -42.0  Favored     6  30.850     9  0.35    12  0.73  molprobity  1.000  
 18   18  mm-40     -68.6   -33.7  Favored     6  42.210     9  0.50    12  0.32  molprobity  1.000  
 19   19  tp        -58.6   -49.1  Favored    11  31.310     8  0.33    11  0.72  molprobity  1.000  
 20   20  mt        -63.1   -33.1  Favored    11  30.930     8  0.30    11  0.44  molprobity  1.000  
 21   21  tttt      -61.9   -50.4  Favored    13  35.690     9  0.34    11  0.61  molprobity  1.000  
 22   22  t         -56.1   -37.0  Favored     9  43.120     7  0.34    10  0.52  molprobity  1.000  
 23   23  mt        -78.1     0.8  Favored    11  43.520     8  0.28    11  0.85  molprobity  1.000  
 24   24  ?          90.9    12.1  Favored     3  36.090     4  0.27     5  0.94  molprobity  1.000  
 25   25  t         -75.6   135.6  Favored     9  38.430     7  0.33    10  0.36  molprobity  1.000  
 26   26  m-20      -69.8   162.6  Favored     6  36.490     8  0.56    11  0.37  molprobity  1.000  
 27   27  m-20      -69.8   162.6  Favored     6  36.490     8  0.56    11  0.37  molprobity  1.000  
 28   28  p         -65.0   -45.0  Favored     8  32.100     7  0.26    10  0.77  molprobity  1.000  
 29   29  ttm       -61.9   -41.9  Favored     9  36.450     8  0.35    10  0.72  molprobity  0.938  
 30   30  mt        -70.1   -31.7  Favored    11  38.100     8  0.28    11  0.49  molprobity  1.000  
 31   31  mtm-85    -59.5   -44.5  Favored    13  31.160    11  0.26    14  0.51  molprobity  1.000  
 32   32  mmtt      -64.5   -42.0  Favored    13  25.020     9  0.48    11  0.37  molprobity  1.000  
 33   33  mt        -64.5   -37.9  Favored    11  28.320     8  0.22    11  0.53  molprobity  1.000  
 34   34  ?         -67.8   -41.7  Favored     5  28.910     5  0.25     7  0.32  molprobity  1.000  
 35   35  t         -59.1   -37.0  Favored     9  25.510     7  0.31    10  0.47  molprobity  1.000  
 36   36  ?         -69.5   -36.4  Favored     5  26.720     5  0.23     7  0.30  molprobity  1.000  
 37   37  ?         -65.1   -34.9  Favored     5  32.770     5  0.31     7  0.38  molprobity  1.000  
 38   38  ?         -63.7   -19.1  Favored     5  38.200     5  0.26     7  0.39  molprobity  1.000  
 39   39  p         -73.9   -15.2  Favored     5  46.090     6  0.34     8  0.43  molprobity  0.958  
 40   40  mmtm     -119.5    34.0  Favored    13  57.310     9  0.27    11  0.49  molprobity  0.977  
 41   41  OUTLIER  -110.5   137.9  Favored     9  36.560    13  0.50    18  1.34  molprobity  1.000  
 42   42  OUTLIER  -110.5   137.9  Favored     9  36.560    13  0.50    18  1.34  molprobity  1.000  
 43   43  ?        -131.1   148.7  Favored     5  26.900     5  0.29     7  0.37  molprobity  1.000  
 44   44  t        -128.2   126.0  Favored     9  27.000     7  0.28    10  0.52  molprobity  1.000  
 45   45  tt0      -111.0   127.5  Favored     6  32.500     9  0.39    12  0.49  molprobity  0.931  
 46   46  mt       -123.6   136.4  Favored    11  25.210     8  0.20    11  0.47  molprobity  1.000  
 47   47  ttmt     -124.6   115.9  Favored    13  34.280     9  0.30    11  0.59  molprobity  0.889  
 48   48  tt0      -112.0   127.3  Favored     8  30.040     9  0.34    12  0.45  molprobity  1.000  
 49   49  mt-10    -126.5   104.1  Favored     6  36.390     9  0.27    12  0.68  molprobity  0.939  
 50   50  ?          66.9  -126.6  Favored     3  29.500     4  0.13     5  0.99  molprobity  1.000  
 51   51  p-10      -96.5    10.0  Favored     4  29.260     8  0.24    11  0.77  molprobity  1.000  
 52   52  p-10      -96.5    10.0  Favored     4  29.260     8  0.24    11  0.77  molprobity  1.000  
 53   53  m        -101.3   129.5  Favored     7  28.240     7  0.27    10  0.57  molprobity  1.000  
 54   54  m-85     -123.4   136.3  Favored     9  25.490    12  0.58    16  0.40  molprobity  1.000  
 55   55  t80      -115.9   124.4  Favored     9  37.010    13  0.32    18  0.42  molprobity  1.000  
 56   56  mt       -127.6   127.9  Favored    11  26.450     8  0.37    11  0.61  molprobity  1.000  
 57   57  ttpt     -115.0   118.8  Favored    13  32.940     9  0.32    11  0.62  molprobity  1.000  
 58   58  t        -105.0   126.5  Favored     9  28.520     7  0.31    10  0.74  molprobity  1.000  
 59   59  p        -138.1   146.0  Favored     5  28.570     6  0.37     8  0.78  molprobity  1.000  
 60   60  p        -138.1   146.0  Favored     5  28.570     6  0.37     8  0.78  molprobity  1.000  
 61   61  p        -121.6  -164.4  Allowed     7  27.310     7  0.28    10  0.67  molprobity  1.000  
 62   62  p        -121.6  -164.4  Allowed     7  27.310     7  0.28    10  0.67  molprobity  1.000  
 63   63  m         -61.3   -37.8  Favored     7  28.280     7  0.20    10  0.63  molprobity  1.000  
 64   64  m        -120.1    -0.9  Favored     9  22.790     7  0.56    10  0.67  molprobity  1.000  
 65   65  t80      -139.3   144.1  Favored     9  28.520    13  0.69    18  0.74  molprobity  1.000  
 66   66  t        -140.4   143.8  Favored     7  26.330     7  0.27    10  0.55  molprobity  1.000  
 67   67  t        -145.7   150.9  Favored     7  33.460     7  0.24    10  0.53  molprobity  1.000  
 68   68  mt-10    -117.8   134.5  Favored     6  39.430     9  0.44    12  0.51  molprobity  0.926  
 69   69  mt       -120.9   127.4  Favored    11  39.400     8  0.30    11  0.62  molprobity  1.000  
 70   70  m-80     -127.3   129.1  Favored     6  39.810     8  0.18    11  0.63  molprobity  1.000  
 71   71  p90      -157.9   164.2  Favored     9  27.460    12  0.61    16  0.54  molprobity  1.000  
 72   72  ttpp     -123.0   138.8  Favored    13  36.970     9  0.37    11  0.72  molprobity  1.000  
 73   73  t         -58.5   133.8  Favored     9  24.480     7  0.35    10  0.36  molprobity  1.000  
 74   74  ?          84.3     0.0  Favored     3  29.460     4  0.41     5  0.69  molprobity  1.000  
 75   75  tt0      -116.5   123.6  Favored     6  35.750     9  0.33    12  0.48  molprobity  0.922  
 76   76  tt0       -55.5   144.5  Favored     6  40.620     9  0.25    12  0.34  molprobity  0.943  
 77   77  p90      -148.2   175.5  Favored     9  30.860    12  0.54    16  0.57  molprobity  1.000  
 78   78  tt0      -117.5   132.5  Favored     6  38.960     9  0.19    12  0.51  molprobity  0.832  
 79   79  pt-20    -141.5  -152.6  Allowed     6  35.800     9  0.29    12  0.40  molprobity  1.000  
 80   80  mt-30    -129.7   152.7  Favored     8  41.450     9  0.22    12  0.40  molprobity  0.881  
 81   81  p         -69.5   174.4  Favored     7  36.790     7  0.26    10  0.65  molprobity  1.000  
 82   82  t         -63.5   -40.4  Favored     9  44.760     7  0.30    10  0.34  molprobity  0.960  
 83   83  p-10      -85.7    12.7  Favored     4  49.010     8  0.18    11  0.40  molprobity  0.945  
 84   84  ?          95.8     9.0  Favored     3  39.350     4  0.40     5  1.18  molprobity  1.000  
 85   85  mtp180    -88.7   141.8  Favored    13  43.350    11  0.20    15  0.45  molprobity  1.000  
 86   86  mtp180    -88.7   141.8  Favored    13  43.350    11  0.20    15  0.45  molprobity  1.000  
 87   87  Cg_exo    -68.1   146.2  Favored     7  43.980     8  0.26    11  0.41  molprobity  1.000  
 88   88  p        -148.1   161.5  Favored     5  39.470     6  0.42     8  0.66  molprobity  1.000  
 89   89  mmtt      -94.9   134.3  Favored    13  42.270     9  0.34    11  0.97  molprobity  0.909  
 90   90  m        -126.0   153.8  Favored     5  31.110     6  0.32     8  0.43  molprobity  1.000  
 91   91  tp       -147.2   119.6  Favored    11  27.410     8  0.19    11  0.64  molprobity  1.000  
 92   92  t         -99.4   136.6  Favored     9  23.540     7  0.43    10  0.54  molprobity  1.000  
 93   93  mttt     -133.6   151.5  Favored    13  24.010     9  0.30    11  0.48  molprobity  1.000  
 94   94  m95       -73.9   142.3  Favored    10  26.130    16  0.25    23  0.37  molprobity  1.000  
 95   95  mt-10    -104.8   -19.6  Favored     6  34.210     9  0.78    12  0.72  molprobity  1.000  
 96   96  p        -172.7  -173.0  Allowed     5  28.640     6  0.31     8  0.92  molprobity  1.000  
 97   97  tt0       -59.2   -38.6  Favored     6  33.810     9  0.39    12  0.28  molprobity  1.000  
 98   98  m-20     -127.3    24.1  Favored     6  35.500     8  0.17    11  0.47  molprobity  1.000  
 99   99  tttt     -137.7   134.6  Favored    13  27.250     9  0.44    11  0.39  molprobity  1.000  
100  100  ptp      -124.8   154.4  Favored     9  26.390     8  0.28    10  0.54  molprobity  0.960  
101  101  t        -131.6   136.9  Favored     9  27.710     7  0.58    10  0.49  molprobity  1.000  
102  102  t        -131.6   136.9  Favored     9  27.710     7  0.58    10  0.49  molprobity  1.000  
103  103  t        -116.8   125.1  Favored     5  27.920     6  0.87     8  0.50  molprobity  1.000  
104  104  mm-40    -102.4   134.0  Favored     6  31.720     9  0.37    12  0.41  molprobity  0.877  
105  105  mt-30    -115.2   146.9  Favored     8  34.750     9  0.26    12  0.46  molprobity  1.000  
106  106  mmmt     -132.6   125.3  Favored    13  52.420     9  0.36    11  0.44  molprobity  1.000  
107  107  mt        -61.0   142.6  Favored    11  47.660     8  0.14    11  0.68  molprobity  1.000  
108  108  mt        -80.8   -42.5  Favored    11  52.540     8  0.34    11  1.18  molprobity  1.000  
109  109  mmmt     -116.1   136.7  Favored    13  66.870     9  0.30    11  0.42  molprobity  1.000  
110  110  ?          78.5  -166.7  Favored     3  60.010     4  0.41     5  0.91  molprobity  1.000  
111  111  mp0      -121.1   173.5  Favored     6  70.450     9  0.20    12  0.43  molprobity  1.000  
112  112  ?         168.8  -178.1  Favored     3  52.940     4  0.60     6  0.55  molprobity  1.000  
113  113  Cg_exo    -68.8   157.1  Favored     7  46.990     8  0.24    11  0.53  molprobity  1.000  
114  114  OUTLIER   -76.6   121.0  Favored    13  46.150     9  0.32    11  0.36  molprobity  0.931  
115  115  p        -117.8   155.7  Favored     7  34.680     7  0.35    10  0.82  molprobity  1.000  
116  116  p        -164.7   167.0  Favored     5  31.620     6  0.28     8  0.66  molprobity  1.000  
117  117  p-90     -146.3   162.7  Favored    10  26.670    16  0.43    23  0.71  molprobity  1.000  
118  118  p        -139.6   153.0  Favored     7  25.550     7  0.42    10  0.81  molprobity  1.000  
119  119  mtmm     -130.1   138.6  Favored    11  31.210     9  1.14    11  1.40  molprobity  1.000  
120  120  tt0      -140.5   137.6  Favored     6  32.600     9  0.45    12  0.41  molprobity  1.000  
121  121  mt        -97.4   119.3  Favored    11  37.960     8  0.20    11  0.96  molprobity  1.000  
122  122  p         -84.7   165.6  Favored     7  38.610     7  0.26    10  0.68  molprobity  1.000  
123  123  m-20      -67.1   -14.5  Favored     6  60.430     8  0.22    11  0.42  molprobity  0.891  
124  124  m-20      -93.2     7.5  Favored     4  64.110     8  0.17    11  0.64  molprobity  1.000  
125  125  ?          80.8    16.1  Favored     3  44.790     4  0.33     5  0.55  molprobity  1.000  
126  126  mt-10     -96.5   153.8  Favored     6  37.750     9  0.47    12  0.40  molprobity  1.000  
127  127  tp       -108.1   124.8  Favored    11  27.860     8  0.36    11  0.57  molprobity  1.000  
128  128  mt       -111.3   123.1  Favored    11  27.920     8  0.31    11  0.50  molprobity  1.000  
129  129  mt-30    -115.1   135.0  Favored     8  30.310     9  0.28    12  0.41  molprobity  1.000  
130  130  mt-30    -115.1   135.0  Favored     8  30.310     9  0.28    12  0.41  molprobity  1.000  
131  131  p        -119.3   147.8  Favored     6  27.550     7  0.37    10  0.75  molprobity  1.000  
132  132  mtm      -129.2   136.5  Favored     9  31.220     8  0.48    10  0.57  molprobity  0.993  
133  133  m        -125.7   140.3  Favored     7  30.810     7  0.37    10  0.64  molprobity  1.000  
134  134  ?        -131.5   111.4  Favored     5  42.110     5  0.24     7  0.90  molprobity  1.000  
135  135  m-20       50.9  -111.4  Allowed     4  48.140     8  0.19    11  0.44  molprobity  1.000  
136  136  p-10      -89.6   -14.2  Favored     4  48.590     8  0.27    11  0.62  molprobity  0.832  
137  137  p        -101.4   129.9  Favored     9  40.230     7  0.53    10  0.50  molprobity  1.000  
138  138  t        -117.5   124.0  Favored     9  34.750     7  0.29    10  0.48  molprobity  1.000  
139  139  t         -94.4   134.6  Favored     5  29.100     6  0.59     8  0.34  molprobity  1.000  
140  140  m        -118.6   128.7  Favored     7  31.070     7  0.26    10  0.49  molprobity  1.000  
141  141  mt-30    -128.4   136.6  Favored     8  33.860     9  0.36    12  0.52  molprobity  1.000  
142  142  t        -120.4   134.0  Favored     9  27.160     7  0.37    10  0.53  molprobity  1.000  
143  143  m-85     -128.1   155.5  Favored     9  24.960    12  0.26    16  0.51  molprobity  1.000  
144  144  m        -128.4   161.0  Favored     9  30.620     7  0.30    10  0.72  molprobity  1.000  
145  145  mtt-85    -70.6   138.7  Favored    13  36.470    11  0.31    14  0.66  molprobity  1.000  
146  146  mt-10         ?       ?  ?           6  51.260     9  0.22     9  0.40  molprobity  0.919  
147  147  ?             ?       ?  ?          27  43.890    20  0.74    27  0.63  mogul       1.000  
148  148  ?             ?       ?  ?           ?  41.450     ?     ?     ?     ?  ?           1.000  
149  149  ?             ?       ?  ?           ?  47.460     ?     ?     ?     ?  ?           1.000  
150  150  ?             ?       ?  ?           ?  26.850     ?     ?     ?     ?  ?           1.000  
151  151  ?             ?       ?  ?           ?  34.650     ?     ?     ?     ?  ?           1.000  
152  152  ?             ?       ?  ?           ?  43.360     ?     ?     ?     ?  ?           1.000  
153  153  ?             ?       ?  ?           ?  39.610     ?     ?     ?     ?  ?           1.000  
154  154  ?             ?       ?  ?           ?  24.850     ?     ?     ?     ?  ?           1.000  
155  155  ?             ?       ?  ?           ?  60.130     ?     ?     ?     ?  ?           1.000  
156  156  ?             ?       ?  ?           ?  37.920     ?     ?     ?     ?  ?           1.000  
157  157  ?             ?       ?  ?           ?  48.360     ?     ?     ?     ?  ?           1.000  
158  158  ?             ?       ?  ?           ?  33.870     ?     ?     ?     ?  ?           1.000  
159  159  ?             ?       ?  ?           ?  37.430     ?     ?     ?     ?  ?           1.000  
160  160  ?             ?       ?  ?           ?  30.880     ?     ?     ?     ?  ?           1.000  
161  161  ?             ?       ?  ?           ?  34.610     ?     ?     ?     ?  ?           1.000  
162  162  ?             ?       ?  ?           ?  25.310     ?     ?     ?     ?  ?           1.000  
163  163  ?             ?       ?  ?           ?  47.610     ?     ?     ?     ?  ?           1.000  
164  164  ?             ?       ?  ?           ?  43.620     ?     ?     ?     ?  ?           1.000  
165  165  ?             ?       ?  ?           ?  43.270     ?     ?     ?     ?  ?           1.000  
166  166  ?             ?       ?  ?           ?  33.020     ?     ?     ?     ?  ?           1.000  
167  167  ?             ?       ?  ?           ?  46.370     ?     ?     ?     ?  ?           1.000  
168  168  ?             ?       ?  ?           ?  36.570     ?     ?     ?     ?  ?           1.000  
169  169  ?             ?       ?  ?           ?  29.480     ?     ?     ?     ?  ?           1.000  
170  170  ?             ?       ?  ?           ?  33.770     ?     ?     ?     ?  ?           1.000  
171  171  ?             ?       ?  ?           ?  38.850     ?     ?     ?     ?  ?           1.000  
172  172  ?             ?       ?  ?           ?  39.900     ?     ?     ?     ?  ?           1.000  
173  173  ?             ?       ?  ?           ?  40.760     ?     ?     ?     ?  ?           1.000  
174  174  ?             ?       ?  ?           ?  31.950     ?     ?     ?     ?  ?           1.000  
175  175  ?             ?       ?  ?           ?  41.290     ?     ?     ?     ?  ?           1.000  
176  176  ?             ?       ?  ?           ?  44.390     ?     ?     ?     ?  ?           1.000  
177  177  ?             ?       ?  ?           ?  37.010     ?     ?     ?     ?  ?           1.000  
178  178  ?             ?       ?  ?           ?  22.220     ?     ?     ?     ?  ?           1.000  
179  179  ?             ?       ?  ?           ?  38.540     ?     ?     ?     ?  ?           1.000  
180  180  ?             ?       ?  ?           ?  41.080     ?     ?     ?     ?  ?           1.000  
181  181  ?             ?       ?  ?           ?  45.260     ?     ?     ?     ?  ?           1.000  
182  182  ?             ?       ?  ?           ?  38.070     ?     ?     ?     ?  ?           1.000  
183  183  ?             ?       ?  ?           ?  50.410     ?     ?     ?     ?  ?           1.000  
184  184  ?             ?       ?  ?           ?  47.110     ?     ?     ?     ?  ?           1.000  
185  185  ?             ?       ?  ?           ?  35.920     ?     ?     ?     ?  ?           1.000  
186  186  ?             ?       ?  ?           ?  46.860     ?     ?     ?     ?  ?           1.000  
187  187  ?             ?       ?  ?           ?  34.360     ?     ?     ?     ?  ?           1.000  
188  188  ?             ?       ?  ?           ?  36.520     ?     ?     ?     ?  ?           1.000  
189  189  ?             ?       ?  ?           ?  34.580     ?     ?     ?     ?  ?           1.000  
190  190  ?             ?       ?  ?           ?  41.990     ?     ?     ?     ?  ?           1.000  
191  191  ?             ?       ?  ?           ?  28.240     ?     ?     ?     ?  ?           1.000  
192  192  ?             ?       ?  ?           ?  36.010     ?     ?     ?     ?  ?           1.000  
193  193  ?             ?       ?  ?           ?  39.500     ?     ?     ?     ?  ?           1.000  
194  194  ?             ?       ?  ?           ?  40.100     ?     ?     ?     ?  ?           1.000  
195  195  ?             ?       ?  ?           ?  41.350     ?     ?     ?     ?  ?           1.000  
196  196  ?             ?       ?  ?           ?  34.060     ?     ?     ?     ?  ?           1.000  
197  197  ?             ?       ?  ?           ?  44.180     ?     ?     ?     ?  ?           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  OD1    1  0.41  2.53  
 2    2  N      1  0.41  2.53  
 3   15  ND2    2  0.43  2.33  
 4   23  HD13   3  0.43  2.00  
 5   26  O      4  0.44  2.17  
 6   27  HD21   5  0.72  1.55  
 7   27  O      6  0.54  2.08  
 8   27  ND2    7  0.52  2.23  
 9   30  HD12   5  0.72  1.55  
10   30  HD12   7  0.52  2.23  
11   31  HG3    6  0.54  2.08  
12   31  HG3    4  0.44  2.17  
13   42  CE2    8  0.62  2.35  
14   42  HE2    9  0.60  1.66  
15   56  HD13  10  0.47  1.96  
16   56  CD1   11  0.45  2.46  
17   58  HG13   8  0.62  2.35  
18   58  HG13   9  0.60  1.66  
19   69  HD13  12  0.43  2.00  
20   78  HB2   13  0.41  2.36  
21   83  OD1   14  0.51  2.44  
22   83  HB3    3  0.43  2.00  
23   86  NH2   14  0.51  2.44  
24   89  HG2   15  0.69  1.74  
25   89  HG2   16  0.54  2.36  
26   89  NZ    13  0.41  2.36  
27  102  HG12  17  0.61  1.82  
28  104  OE1   18  0.44  2.21  
29  108  HD21  15  0.69  1.74  
30  108  CD2   16  0.54  2.36  
31  118  HG22  17  0.61  1.82  
32  119  HG2   19  0.56  1.86  
33  119  HE3   10  0.47  1.96  
34  119  HE3   11  0.45  2.46  
35  129  HG2   19  0.56  1.86  
36  134  O     20  0.43  2.19  
37  137  HG23   2  0.43  2.33  
38  137  HG12  20  0.43  2.19  
39  147  H161  21  0.50  1.92  
40  147  H8    21  0.50  1.92  
41  147  H8    22  0.48  1.96  
42  147  H171  22  0.48  1.96  
43  147  H171  23  0.44  2.47  
44  147  C8    23  0.44  2.47  
45  147  H203  12  0.43  2.00  
46  147  H7    24  0.43  1.73  
47  147  H181  24  0.43  1.73  
48  148  O     18  0.44  2.21  
#
_pdbx_vrpt_instance_mogul_bond_outliers.ordinal      1
_pdbx_vrpt_instance_mogul_bond_outliers.instance_id  147
_pdbx_vrpt_instance_mogul_bond_outliers.atom_1       C14
_pdbx_vrpt_instance_mogul_bond_outliers.atom_2       C13
_pdbx_vrpt_instance_mogul_bond_outliers.obsval       1.35
_pdbx_vrpt_instance_mogul_bond_outliers.mean         1.33
_pdbx_vrpt_instance_mogul_bond_outliers.numobs       25
_pdbx_vrpt_instance_mogul_bond_outliers.stdev        0.01
_pdbx_vrpt_instance_mogul_bond_outliers.Zscore       2.01
_pdbx_vrpt_instance_mogul_bond_outliers.mindiff      0.00
#
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   7  0.659  0.293   3.515  
  2    2   8  0.884  0.151   0.601  
  3    3  11  0.960  0.105  -0.002  
  4    4   6  0.963  0.082  -0.486  
  5    5   4  0.978  0.089  -0.234  
  6    6   8  0.957  0.098  -0.276  
  7    7  14  0.974  0.101   0.033  
  8    8   9  0.973  0.140  -0.089  
  9    9   8  0.975  0.100  -0.274  
 10   10   8  0.974  0.097  -0.342  
 11   11  11  0.940  0.097  -0.536  
 12   12   6  0.979  0.095  -0.253  
 13   13   9  0.919  0.114  -0.386  
 14   14  13  0.952  0.140   0.419  
 15   15  13  0.952  0.140   0.419  
 16   16  11  0.952  0.090  -0.350  
 17   17   9  0.936  0.093  -0.682  
 18   18   9  0.872  0.162   0.292  
 19   19   8  0.954  0.082  -0.676  
 20   20   8  0.980  0.094  -0.407  
 21   21   9  0.964  0.090  -0.817  
 22   22   7  0.928  0.128   0.440  
 23   23   8  0.949  0.182   1.562  
 24   24   4  0.951  0.081  -0.377  
 25   25   7  0.971  0.126   0.396  
 26   26  16  0.882  0.149   0.568  
 27   27  16  0.882  0.149   0.568  
 28   28   7  0.977  0.110   0.040  
 29   29   8  0.951  0.123   0.283  
 30   30   8  0.959  0.121   0.197  
 31   31  11  0.948  0.083  -0.752  
 32   32   9  0.933  0.110  -0.525  
 33   33   8  0.985  0.125   0.297  
 34   34   5  0.962  0.094  -0.163  
 35   35   7  0.969  0.084  -0.538  
 36   36   5  0.969  0.103   0.020  
 37   37   5  0.945  0.072  -0.611  
 38   38   5  0.944  0.089  -0.265  
 39   39   6  0.889  0.111   0.034  
 40   40   9  0.906  0.246   1.454  
 41   41  21  0.922  0.156   1.218  
 42   42  21  0.922  0.156   1.218  
 43   43   5  0.979  0.083  -0.387  
 44   44   7  0.984  0.118   0.218  
 45   45   9  0.974  0.111  -0.428  
 46   46   8  0.978  0.086  -0.594  
 47   47   9  0.957  0.145  -0.016  
 48   48   9  0.959  0.103  -0.396  
 49   49   9  0.979  0.089  -0.739  
 50   50   4  0.973  0.106   0.070  
 51   51  13  0.923  0.162   0.687  
 52   52  13  0.923  0.162   0.687  
 53   53   7  0.948  0.089  -0.323  
 54   54  11  0.961  0.069  -0.838  
 55   55  12  0.888  0.148   1.034  
 56   56   8  0.973  0.109  -0.068  
 57   57   9  0.974  0.113  -0.482  
 58   58   7  0.974  0.100  -0.182  
 59   59   9  0.979  0.115   0.106  
 60   60   9  0.979  0.115   0.106  
 61   61  11  0.979  0.099  -0.127  
 62   62  11  0.979  0.099  -0.127  
 63   63   7  0.971  0.098  -0.147  
 64   64   7  0.971  0.069  -0.871  
 65   65  12  0.965  0.099  -0.089  
 66   66   7  0.982  0.105  -0.010  
 67   67   7  0.976  0.104  -0.029  
 68   68   9  0.954  0.099  -0.597  
 69   69   8  0.924  0.118   0.137  
 70   70   8  0.973  0.098  -0.276  
 71   71  11  0.961  0.069  -0.838  
 72   72   9  0.965  0.141  -0.074  
 73   73   7  0.940  0.120   0.262  
 74   74   4  0.953  0.081  -0.377  
 75   75   9  0.953  0.093  -0.682  
 76   76   9  0.952  0.104  -0.527  
 77   77  11  0.945  0.093  -0.281  
 78   78   9  0.968  0.141  -0.004  
 79   79   9  0.966  0.066  -1.064  
 80   80   9  0.948  0.125  -0.054  
 81   81   7  0.977  0.104  -0.029  
 82   82   7  0.939  0.113   0.107  
 83   83   8  0.880  0.183   1.022  
 84   84   4  0.954  0.100  -0.037  
 85   85  19  0.885  0.185   0.827  
 86   86  19  0.885  0.185   0.827  
 87   87   7  0.933  0.134   0.537  
 88   88   6  0.959  0.097   0.118  
 89   89   9  0.965  0.169   0.333  
 90   90   6  0.894  0.091  -0.324  
 91   91   8  0.969  0.099  -0.295  
 92   92   7  0.972  0.076  -0.716  
 93   93   9  0.973  0.089  -0.831  
 94   94  14  0.979  0.088  -0.293  
 95   95   9  0.903  0.128  -0.188  
 96   96   6  0.970  0.086  -0.414  
 97   97   9  0.955  0.096  -0.640  
 98   98   8  0.947  0.089  -0.425  
 99   99   9  0.945  0.098  -0.700  
100  100   8  0.986  0.107  -0.034  
101  101  11  0.948  0.150   0.929  
102  102  11  0.948  0.150   0.929  
103  103   6  0.991  0.085  -0.183  
104  104   9  0.979  0.102  -0.555  
105  105   9  0.940  0.087  -0.644  
106  106   9  0.935  0.198   0.755  
107  107   8  0.890  0.163   1.136  
108  108   8  0.867  0.207   2.121  
109  109   9  0.900  0.332   2.706  
110  110   4  0.956  0.231   2.302  
111  111   9  0.874  0.305   2.312  
112  112   4  0.887  0.150   0.855  
113  113   7  0.934  0.130   0.463  
114  114   9  0.946  0.121  -0.365  
115  115   7  0.952  0.076  -0.577  
116  116   6  0.965  0.079  -0.539  
117  117  14  0.969  0.092  -0.193  
118  118   7  0.980  0.105  -0.010  
119  119   9  0.962  0.108  -0.555  
120  120   9  0.951  0.115  -0.371  
121  121   8  0.950  0.137   0.555  
122  122   7  0.929  0.105  -0.010  
123  123   8  0.940  0.168   0.882  
124  124   8  0.888  0.149   0.480  
125  125   4  0.928  0.094  -0.145  
126  126   9  0.929  0.095  -0.654  
127  127   8  0.967  0.116   0.085  
128  128   8  0.972  0.111  -0.023  
129  129  18  0.966  0.147   0.287  
130  130  18  0.966  0.147   0.287  
131  131   7  0.951  0.107   0.029  
132  132   8  0.971  0.106  -0.053  
133  133   7  0.962  0.091  -0.284  
134  134   5  0.910  0.119   0.346  
135  135   8  0.876  0.128   0.145  
136  136   8  0.920  0.166   0.751  
137  137   7  0.918  0.149   0.907  
138  138   7  0.935  0.095  -0.293  
139  139   6  0.977  0.070  -0.560  
140  140   7  0.974  0.102  -0.068  
141  141   9  0.952  0.102  -0.411  
142  142   7  0.974  0.118   0.218  
143  143  11  0.977  0.116   0.253  
144  144   7  0.976  0.112   0.084  
145  145  11  0.956  0.088  -0.675  
146  146  10  0.919  0.129  -0.174  
147  147  20  0.918  0.163       ?  
148  148   1  0.886  0.117       ?  
149  149   1  0.783  0.200       ?  
150  150   1  0.967  0.094       ?  
151  151   1  0.945  0.102       ?  
152  152   1  0.836  0.213       ?  
153  153   1  0.893  0.132       ?  
154  154   1  0.976  0.114       ?  
155  155   1  0.740  0.171       ?  
156  156   1  0.951  0.189       ?  
157  157   1  0.871  0.093       ?  
158  158   1  0.962  0.105       ?  
159  159   1  0.921  0.075       ?  
160  160   1  0.969  0.246       ?  
161  161   1  0.978  0.124       ?  
162  162   1  0.973  0.101       ?  
163  163   1  0.895  0.334       ?  
164  164   1  0.897  0.144       ?  
165  165   1  0.915  0.100       ?  
166  166   1  0.950  0.084       ?  
167  167   1  0.898  0.124       ?  
168  168   1  0.760  0.155       ?  
169  169   1  0.945  0.107       ?  
170  170   1  0.920  0.132       ?  
171  171   1  0.930  0.252       ?  
172  172   1  0.931  0.092       ?  
173  173   1  0.903  0.135       ?  
174  174   1  0.973  0.133       ?  
175  175   1  0.845  0.101       ?  
176  176   1  0.896  0.175       ?  
177  177   1  0.924  0.121       ?  
178  178   1  0.981  0.104       ?  
179  179   1  0.882  0.202       ?  
180  180   1  0.866  0.366       ?  
181  181   1  0.960  0.120       ?  
182  182   1  0.954  0.180       ?  
183  183   1  0.624  0.147       ?  
184  184   1  0.891  0.132       ?  
185  185   1  0.947  0.145       ?  
186  186   1  0.821  0.106       ?  
187  187   1  0.887  0.225       ?  
188  188   1  0.965  0.076       ?  
189  189   1  0.873  0.245       ?  
190  190   1  0.872  0.134       ?  
191  191   1  0.963  0.084       ?  
192  192   1  0.868  0.104       ?  
193  193   1  0.801  0.152       ?  
194  194   1  0.887  0.168       ?  
195  195   1  0.942  0.130       ?  
196  196   1  0.958  0.152       ?  
197  197   1  0.931  0.158       ?  
#
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          2.36.2                                                                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  
##
