data_5GTA

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  5GTA
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    5GTA
_pdbx_vrpt_summary.PDB_deposition_date         2016-08-19
_pdbx_vrpt_summary.PDB_revision_number         3
_pdbx_vrpt_summary.PDB_revision_date           2023-11-08
_pdbx_vrpt_summary.report_creation_date        2023-10-31:08:49
_pdbx_vrpt_summary.attempted_validation_steps  molprobity,validation-pack,xtriage,eds,mogul,percentiles,writexml,writecif,writepdf
_pdbx_vrpt_summary.ligands_for_buster_report   N
#
loop_
_pdbx_vrpt_entity.id
_pdbx_vrpt_entity.type
_pdbx_vrpt_entity.description
1  polymer      "Autoinducer 2-binding protein LsrB"  
2  non-polymer  (2R,4S)-2-methyl-2,3,3,4-tetrahydroxytetrahydrofuran  
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  2.998  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   56.27  141614     ?     ?  
 2  2  1   84.11    2416  3.00  3.00  
 3  1  2   40.70  138981     ?     ?  
 4  2  2   76.47    2333  3.00  3.00  
 5  1  3  100.00  138945     ?     ?  
 6  2  3  100.00    2336  3.00  3.00  
 7  1  4  100.00  127900     ?     ?  
 8  2  4  100.00    1990  3.00  3.00  
 9  1  5   27.11  130704     ?     ?  
10  2  5   64.26    2092  3.00  3.00  
#
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   40.70  
2  4  2  A  1  1  A   76.47  
3  5  3  A  1  1  A  100.00  
4  6  3  A  1  1  A  100.00  
5  7  4  A  1  1  A  100.00  
6  8  4  A  1  1  A  100.00  
#
_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      0.36
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ       0.20
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ   2455
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ  3335
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  0.32
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       0.00
_pdbx_vrpt_summary_geometry.clashscore                     5.02
_pdbx_vrpt_summary_geometry.num_H_reduce                   2374
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 2455
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.20
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                3335
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.36
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            28.397
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         49.201
_pdbx_vrpt_summary_diffraction.I_over_sigma              2.12(3.01A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        6329
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.325
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.418
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.243
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.911
_pdbx_vrpt_summary_diffraction.DCC_R                     0.20
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.26
_pdbx_vrpt_summary_diffraction.EDS_R                     0.21
_pdbx_vrpt_summary_diffraction.EDS_res_high              3.00
_pdbx_vrpt_summary_diffraction.EDS_res_low               39.13
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[44.422,51.150,53.602,0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.185
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 6.14% 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         99.08
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      293
_pdbx_vrpt_summary_diffraction.percent_free_reflections  4.63
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     0.00
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       3.00
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        39.13
_pdbx_vrpt_summary_diffraction.PDB_R                     0.20
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.25
#
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   27  ALA  A   27  .  ?        ?     ?  
  2  1  1  A   28  GLU  A   28  .  ?        ?     ?  
  3  1  1  A   29  ARG  A   29  .  ?        1     ?  
  4  1  1  A   30  ILE  A   30  .  ?        1     ?  
  5  1  1  A   31  ALA  A   31  .  ?        ?     ?  
  6  1  1  A   32  PHE  A   32  .  ?        ?     ?  
  7  1  1  A   33  ILE  A   33  .  ?        ?     ?  
  8  1  1  A   34  PRO  A   34  .  ?        ?     ?  
  9  1  1  A   35  LYS  A   35  .  ?        ?     ?  
 10  1  1  A   36  LEU  A   36  .  ?        1     ?  
 11  1  1  A   37  VAL  A   37  .  ?        ?     ?  
 12  1  1  A   38  GLY  A   38  .  ?        ?     ?  
 13  1  1  A   39  VAL  A   39  .  ?        1     ?  
 14  1  1  A   40  GLY  A   40  .  ?        ?     ?  
 15  1  1  A   41  PHE  A   41  .  ?        ?     ?  
 16  1  1  A   42  PHE  A   42  .  ?        1     ?  
 17  1  1  A   43  THR  A   43  .  ?        ?     ?  
 18  1  1  A   44  SER  A   44  .  ?        ?     ?  
 19  1  1  A   45  GLY  A   45  .  ?        ?     ?  
 20  1  1  A   46  GLY  A   46  .  ?        ?     ?  
 21  1  1  A   47  ASN  A   47  .  ?        ?     ?  
 22  1  1  A   48  GLY  A   48  .  ?        ?     ?  
 23  1  1  A   49  ALA  A   49  .  ?        ?     ?  
 24  1  1  A   50  GLN  A   50  .  ?        ?     ?  
 25  1  1  A   51  GLU  A   51  .  ?        ?     ?  
 26  1  1  A   52  ALA  A   52  .  ?        1     ?  
 27  1  1  A   53  GLY  A   53  .  ?        ?     ?  
 28  1  1  A   54  LYS  A   54  .  ?        2     ?  
 29  1  1  A   55  ALA  A   55  .  ?        ?     ?  
 30  1  1  A   56  LEU  A   56  .  ?        ?     ?  
 31  1  1  A   57  GLY  A   57  .  ?        ?     ?  
 32  1  1  A   58  ILE  A   58  .  ?        ?     ?  
 33  1  1  A   59  ASP  A   59  .  ?        ?     ?  
 34  1  1  A   60  VAL  A   60  .  ?        ?     ?  
 35  1  1  A   61  THR  A   61  .  ?        ?     ?  
 36  1  1  A   62  TYR  A   62  .  ?        ?     ?  
 37  1  1  A   63  ASP  A   63  .  ?        ?     ?  
 38  1  1  A   64  GLY  A   64  .  ?        ?     ?  
 39  1  1  A   65  PRO  A   65  .  ?        ?     ?  
 40  1  1  A   66  THR  A   66  .  ?        ?     ?  
 41  1  1  A   67  GLU  A   67  .  ?        ?     ?  
 42  1  1  A   68  PRO  A   68  .  ?        1     ?  
 43  1  1  A   69  SER  A   69  .  ?        ?     ?  
 44  1  1  A   70  VAL  A   70  .  ?        ?     ?  
 45  1  1  A   71  SER  A   71  .  ?        ?     ?  
 46  1  1  A   72  GLY  A   72  .  ?        ?     ?  
 47  1  1  A   73  GLN  A   73  .  ?        ?     ?  
 48  1  1  A   74  VAL  A   74  .  ?        ?     ?  
 49  1  1  A   75  GLN  A   75  .  ?        ?     ?  
 50  1  1  A   76  LEU  A   76  .  ?        ?     ?  
 51  1  1  A   77  VAL  A   77  .  ?        ?     ?  
 52  1  1  A   78  ASN  A   78  .  ?        ?     ?  
 53  1  1  A   79  ASN  A   79  .  ?        ?     ?  
 54  1  1  A   80  PHE  A   80  .  ?        ?     ?  
 55  1  1  A   81  VAL  A   81  .  ?        ?     ?  
 56  1  1  A   82  ASN  A   82  .  ?        ?     ?  
 57  1  1  A   83  GLN  A   83  .  ?        1     ?  
 58  1  1  A   84  GLY  A   84  .  ?        ?     ?  
 59  1  1  A   85  TYR  A   85  .  ?        ?     ?  
 60  1  1  A   86  ASP  A   86  .  ?        ?     ?  
 61  1  1  A   87  ALA  A   87  .  ?        1     ?  
 62  1  1  A   88  ILE  A   88  .  ?        ?     ?  
 63  1  1  A   89  ILE  A   89  .  ?        1     ?  
 64  1  1  A   90  VAL  A   90  .  ?        ?     ?  
 65  1  1  A   91  SER  A   91  .  ?        ?     ?  
 66  1  1  A   92  ALA  A   92  .  ?        ?     ?  
 67  1  1  A   93  VAL  A   93  .  ?        ?     ?  
 68  1  1  A   94  SER  A   94  .  ?        ?     ?  
 69  1  1  A   95  PRO  A   95  .  ?        ?     ?  
 70  1  1  A   96  ASP  A   96  .  ?        ?     ?  
 71  1  1  A   97  GLY  A   97  .  ?        ?     ?  
 72  1  1  A   98  LEU  A   98  .  ?        ?     ?  
 73  1  1  A   99  CYS  A   99  .  ?        ?     ?  
 74  1  1  A  100  PRO  A  100  .  ?        ?     ?  
 75  1  1  A  101  ALA  A  101  .  ?        ?     ?  
 76  1  1  A  102  LEU  A  102  .  ?        ?     ?  
 77  1  1  A  103  LYS  A  103  .  ?        ?     ?  
 78  1  1  A  104  ARG  A  104  .  ?        ?     ?  
 79  1  1  A  105  ALA  A  105  .  ?        1     ?  
 80  1  1  A  106  MET  A  106  .  ?        ?     ?  
 81  1  1  A  107  GLN  A  107  .  ?        ?     ?  
 82  1  1  A  108  ARG  A  108  .  ?        ?     ?  
 83  1  1  A  109  GLY  A  109  .  ?        ?     ?  
 84  1  1  A  110  VAL  A  110  .  ?        1     ?  
 85  1  1  A  111  LYS  A  111  .  ?        ?     ?  
 86  1  1  A  112  ILE  A  112  .  ?        ?     ?  
 87  1  1  A  113  LEU  A  113  .  ?        ?     ?  
 88  1  1  A  114  THR  A  114  .  ?        ?     ?  
 89  1  1  A  115  TRP  A  115  .  ?        1     ?  
 90  1  1  A  116  ASP  A  116  .  ?        ?     ?  
 91  1  1  A  117  SER  A  117  .  ?        1     ?  
 92  1  1  A  118  ASP  A  118  .  ?        1     ?  
 93  1  1  A  119  THR  A  119  .  ?        ?     ?  
 94  1  1  A  120  LYS  A  120  .  ?        ?     ?  
 95  1  1  A  121  PRO  A  121  .  ?        ?     ?  
 96  1  1  A  122  GLU  A  122  .  ?        ?     ?  
 97  1  1  A  123  CYS  A  123  .  ?        ?     ?  
 98  1  1  A  124  ARG  A  124  .  ?        ?     ?  
 99  1  1  A  125  SER  A  125  .  ?        ?     ?  
100  1  1  A  126  TYR  A  126  .  ?        ?     ?  
101  1  1  A  127  TYR  A  127  .  ?        2     ?  
102  1  1  A  128  ILE  A  128  .  ?        ?     ?  
103  1  1  A  129  ASN  A  129  .  ?        ?     ?  
104  1  1  A  130  GLN  A  130  .  ?        ?     ?  
105  1  1  A  131  GLY  A  131  .  ?        ?     ?  
106  1  1  A  132  THR  A  132  .  ?        ?     ?  
107  1  1  A  133  PRO  A  133  .  ?        1     ?  
108  1  1  A  134  LYS  A  134  .  ?        ?     ?  
109  1  1  A  135  GLN  A  135  .  ?        ?     ?  
110  1  1  A  136  LEU  A  136  .  ?        ?     ?  
111  1  1  A  137  GLY  A  137  .  ?        ?     ?  
112  1  1  A  138  SER  A  138  B  ?        ?     ?  
113  1  1  A  139  MET  A  139  .  ?        ?     ?  
114  1  1  A  140  LEU  A  140  .  ?        ?     ?  
115  1  1  A  141  VAL  A  141  .  ?        ?     ?  
116  1  1  A  142  GLU  A  142  .  ?        ?     ?  
117  1  1  A  143  MET  A  143  .  ?        ?     ?  
118  1  1  A  144  ALA  A  144  .  ?        ?     ?  
119  1  1  A  145  ALA  A  145  .  ?        ?     ?  
120  1  1  A  146  HIS  A  146  .  ?        ?     ?  
121  1  1  A  147  GLN  A  147  .  ?        1     ?  
122  1  1  A  148  VAL  A  148  .  ?        1     ?  
123  1  1  A  149  ASP  A  149  .  ?        ?     ?  
124  1  1  A  150  LYS  A  150  .  ?        1     ?  
125  1  1  A  151  GLU  A  151  .  ?        ?     ?  
126  1  1  A  152  LYS  A  152  .  ?        ?     ?  
127  1  1  A  153  ALA  A  153  .  ?        ?     ?  
128  1  1  A  154  LYS  A  154  .  ?        ?     ?  
129  1  1  A  155  VAL  A  155  .  ?        ?     ?  
130  1  1  A  156  ALA  A  156  .  ?        ?     ?  
131  1  1  A  157  PHE  A  157  .  ?        ?     ?  
132  1  1  A  158  PHE  A  158  .  ?        ?     ?  
133  1  1  A  159  TYR  A  159  .  ?        1     ?  
134  1  1  A  160  SER  A  160  .  ?        1     ?  
135  1  1  A  161  SER  A  161  .  ?        ?     ?  
136  1  1  A  162  PRO  A  162  .  ?        ?     ?  
137  1  1  A  163  THR  A  163  .  ?        ?     ?  
138  1  1  A  164  VAL  A  164  .  ?        1     ?  
139  1  1  A  165  THR  A  165  .  ?        ?     ?  
140  1  1  A  166  ASP  A  166  .  ?        ?     ?  
141  1  1  A  167  GLN  A  167  .  ?        1     ?  
142  1  1  A  168  ASN  A  168  .  ?        1     ?  
143  1  1  A  169  GLN  A  169  .  ?        ?     ?  
144  1  1  A  170  TRP  A  170  .  ?        ?     ?  
145  1  1  A  171  VAL  A  171  .  ?        1     ?  
146  1  1  A  172  LYS  A  172  .  ?        2     ?  
147  1  1  A  173  GLU  A  173  .  ?        1     ?  
148  1  1  A  174  ALA  A  174  .  ?        ?     ?  
149  1  1  A  175  LYS  A  175  .  ?        ?     ?  
150  1  1  A  176  ALA  A  176  .  ?        ?     ?  
151  1  1  A  177  LYS  A  177  .  ?        ?     ?  
152  1  1  A  178  ILE  A  178  .  ?        ?     ?  
153  1  1  A  179  SER  A  179  .  ?        ?     ?  
154  1  1  A  180  GLN  A  180  .  ?        ?     ?  
155  1  1  A  181  GLU  A  181  .  ?        ?     ?  
156  1  1  A  182  HIS  A  182  .  ?        ?     ?  
157  1  1  A  183  PRO  A  183  .  ?        ?     ?  
158  1  1  A  184  GLY  A  184  .  ?        ?     ?  
159  1  1  A  185  TRP  A  185  .  ?        ?     ?  
160  1  1  A  186  GLU  A  186  .  ?        ?     ?  
161  1  1  A  187  ILE  A  187  .  ?        ?     ?  
162  1  1  A  188  VAL  A  188  .  ?        ?     ?  
163  1  1  A  189  THR  A  189  .  ?        ?     ?  
164  1  1  A  190  THR  A  190  .  ?        ?     ?  
165  1  1  A  191  GLN  A  191  .  ?        ?     ?  
166  1  1  A  192  PHE  A  192  .  ?        1     ?  
167  1  1  A  193  GLY  A  193  .  ?        ?     ?  
168  1  1  A  194  TYR  A  194  .  ?        ?     ?  
169  1  1  A  195  ASN  A  195  .  ?        ?     ?  
170  1  1  A  196  ASP  A  196  .  ?        ?     ?  
171  1  1  A  197  ALA  A  197  .  ?        ?     ?  
172  1  1  A  198  THR  A  198  .  ?        ?     ?  
173  1  1  A  199  LYS  A  199  .  ?        ?     ?  
174  1  1  A  200  SER  A  200  .  ?        ?     ?  
175  1  1  A  201  LEU  A  201  .  ?        ?     ?  
176  1  1  A  202  GLN  A  202  .  ?        ?     ?  
177  1  1  A  203  THR  A  203  .  ?        ?     ?  
178  1  1  A  204  ALA  A  204  .  ?        ?     ?  
179  1  1  A  205  GLU  A  205  .  ?        ?     ?  
180  1  1  A  206  GLY  A  206  .  ?        ?     ?  
181  1  1  A  207  ILE  A  207  .  ?        ?     ?  
182  1  1  A  208  ILE  A  208  .  ?        ?     ?  
183  1  1  A  209  LYS  A  209  .  ?        ?     ?  
184  1  1  A  210  ALA  A  210  .  ?        ?     ?  
185  1  1  A  211  TYR  A  211  .  ?        ?     ?  
186  1  1  A  212  PRO  A  212  .  ?        ?     ?  
187  1  1  A  213  ASP  A  213  .  ?        ?     ?  
188  1  1  A  214  LEU  A  214  .  ?        ?     ?  
189  1  1  A  215  ASP  A  215  .  ?        ?     ?  
190  1  1  A  216  ALA  A  216  .  ?        ?     ?  
191  1  1  A  217  ILE  A  217  .  ?        ?     ?  
192  1  1  A  218  ILE  A  218  .  ?        ?     ?  
193  1  1  A  219  ALA  A  219  .  ?        ?     ?  
194  1  1  A  220  PRO  A  220  .  ?        ?     ?  
195  1  1  A  221  ASP  A  221  .  ?        1     ?  
196  1  1  A  222  ALA  A  222  .  ?        ?     ?  
197  1  1  A  223  ASN  A  223  .  ?        ?     ?  
198  1  1  A  224  ALA  A  224  .  ?        1     ?  
199  1  1  A  225  LEU  A  225  .  ?        ?     ?  
200  1  1  A  226  PRO  A  226  .  ?        ?     ?  
201  1  1  A  227  ALA  A  227  .  ?        ?     ?  
202  1  1  A  228  ALA  A  228  .  ?        ?     ?  
203  1  1  A  229  ALA  A  229  .  ?        ?     ?  
204  1  1  A  230  GLN  A  230  .  ?        ?     ?  
205  1  1  A  231  ALA  A  231  .  ?        ?     ?  
206  1  1  A  232  ALA  A  232  .  ?        ?     ?  
207  1  1  A  233  GLU  A  233  .  ?        ?     ?  
208  1  1  A  234  ASN  A  234  .  ?        ?     ?  
209  1  1  A  235  LEU  A  235  .  ?        ?     ?  
210  1  1  A  236  LYS  A  236  .  ?        ?     ?  
211  1  1  A  237  ARG  A  237  .  ?        ?     ?  
212  1  1  A  238  ASN  A  238  .  ?        ?     ?  
213  1  1  A  239  ASN  A  239  .  ?        ?     ?  
214  1  1  A  240  LEU  A  240  .  ?        ?     ?  
215  1  1  A  241  ALA  A  241  .  ?        ?     ?  
216  1  1  A  242  ILE  A  242  .  ?        ?     ?  
217  1  1  A  243  VAL  A  243  .  ?        ?     ?  
218  1  1  A  244  GLY  A  244  .  ?        ?     ?  
219  1  1  A  245  PHE  A  245  .  ?        ?     ?  
220  1  1  A  246  SER  A  246  .  ?        ?     ?  
221  1  1  A  247  THR  A  247  .  ?        ?     ?  
222  1  1  A  248  PRO  A  248  .  ?        ?     ?  
223  1  1  A  249  ASN  A  249  .  ?        ?     ?  
224  1  1  A  250  VAL  A  250  .  ?        ?     ?  
225  1  1  A  251  MET  A  251  .  ?        ?     ?  
226  1  1  A  252  ARG  A  252  .  ?        ?     ?  
227  1  1  A  253  PRO  A  253  .  ?        ?     ?  
228  1  1  A  254  TYR  A  254  .  ?        ?     ?  
229  1  1  A  255  VAL  A  255  .  ?        ?     ?  
230  1  1  A  256  GLN  A  256  .  ?        ?     ?  
231  1  1  A  257  ARG  A  257  .  ?        ?     ?  
232  1  1  A  258  GLY  A  258  .  ?        ?     ?  
233  1  1  A  259  THR  A  259  .  ?        ?     ?  
234  1  1  A  260  VAL  A  260  .  ?        ?     ?  
235  1  1  A  261  LYS  A  261  .  ?        2     ?  
236  1  1  A  262  GLU  A  262  .  ?        ?     ?  
237  1  1  A  263  PHE  A  263  .  ?        ?     ?  
238  1  1  A  264  GLY  A  264  .  ?        ?     ?  
239  1  1  A  265  LEU  A  265  .  ?        ?     ?  
240  1  1  A  266  TRP  A  266  .  ?        ?     ?  
241  1  1  A  267  ASP  A  267  .  ?        ?     ?  
242  1  1  A  268  VAL  A  268  .  ?        ?     ?  
243  1  1  A  269  VAL  A  269  .  ?        ?     ?  
244  1  1  A  270  GLN  A  270  .  ?        ?     ?  
245  1  1  A  271  GLN  A  271  .  ?        ?     ?  
246  1  1  A  272  GLY  A  272  .  ?        ?     ?  
247  1  1  A  273  LYS  A  273  .  ?        1     ?  
248  1  1  A  274  ILE  A  274  .  ?        ?     ?  
249  1  1  A  275  SER  A  275  A  ?        ?     ?  
250  1  1  A  275  SER  A  275  B  ?        1     ?  
251  1  1  A  276  VAL  A  276  .  ?        ?     ?  
252  1  1  A  277  TYR  A  277  .  ?        ?     ?  
253  1  1  A  278  VAL  A  278  .  ?        ?     ?  
254  1  1  A  279  ALA  A  279  .  ?        ?     ?  
255  1  1  A  280  ASN  A  280  .  ?        ?     ?  
256  1  1  A  281  ALA  A  281  .  ?        ?     ?  
257  1  1  A  282  LEU  A  282  .  ?        ?     ?  
258  1  1  A  283  LEU  A  283  .  ?        ?     ?  
259  1  1  A  284  LYS  A  284  .  ?        ?     ?  
260  1  1  A  285  ASN  A  285  .  ?        ?     ?  
261  1  1  A  286  MET  A  286  .  ?        ?     ?  
262  1  1  A  287  PRO  A  287  .  ?        ?     ?  
263  1  1  A  288  MET  A  288  .  ?        ?     ?  
264  1  1  A  289  ASN  A  289  .  ?        ?     ?  
265  1  1  A  290  VAL  A  290  .  ?        ?     ?  
266  1  1  A  291  GLY  A  291  .  ?        ?     ?  
267  1  1  A  292  ASP  A  292  .  ?        ?     ?  
268  1  1  A  293  SER  A  293  A  ?        ?     ?  
269  1  1  A  294  LEU  A  294  .  ?        ?     ?  
270  1  1  A  295  ASP  A  295  .  ?        ?     ?  
271  1  1  A  296  ILE  A  296  .  ?        2     ?  
272  1  1  A  297  PRO  A  297  .  ?        ?     ?  
273  1  1  A  298  GLY  A  298  .  ?        ?     ?  
274  1  1  A  299  ILE  A  299  .  ?        2     ?  
275  1  1  A  300  GLY  A  300  .  ?        ?     ?  
276  1  1  A  301  LYS  A  301  .  ?        ?     ?  
277  1  1  A  302  VAL  A  302  .  ?        ?     ?  
278  1  1  A  303  THR  A  303  .  ?        ?     ?  
279  1  1  A  304  VAL  A  304  .  ?        ?     ?  
280  1  1  A  305  SER  A  305  .  ?        ?     ?  
281  1  1  A  306  PRO  A  306  .  ?        ?     ?  
282  1  1  A  307  ASN  A  307  .  ?        ?     ?  
283  1  1  A  308  SER  A  308  .  ?        ?     ?  
284  1  1  A  309  GLU  A  309  .  ?        ?     ?  
285  1  1  A  310  GLN  A  310  .  ?        ?     ?  
286  1  1  A  311  GLY  A  311  .  ?        ?     ?  
287  1  1  A  312  TYR  A  312  .  ?        ?     ?  
288  1  1  A  313  HIS  A  313  .  ?        ?     ?  
289  1  1  A  314  TYR  A  314  .  ?        ?     ?  
290  1  1  A  315  GLU  A  315  .  ?        ?     ?  
291  1  1  A  316  ALA  A  316  .  ?        ?     ?  
292  1  1  A  317  LYS  A  317  .  ?        ?     ?  
293  1  1  A  318  GLY  A  318  .  ?        ?     ?  
294  1  1  A  319  ASN  A  319  .  ?        ?     ?  
295  1  1  A  320  GLY  A  320  .  ?        ?     ?  
296  1  1  A  321  ILE  A  321  .  ?        1     ?  
297  1  1  A  322  VAL  A  322  .  ?        ?     ?  
298  1  1  A  323  LEU  A  323  .  ?        ?     ?  
299  1  1  A  324  LEU  A  324  .  ?        ?     ?  
300  1  1  A  325  PRO  A  325  .  ?        ?     ?  
301  1  1  A  326  GLU  A  326  .  ?        ?     ?  
302  1  1  A  327  ARG  A  327  .  ?        ?     ?  
303  1  1  A  328  VAL  A  328  .  ?        ?     ?  
304  1  1  A  329  ILE  A  329  .  ?        ?     ?  
305  1  1  A  330  PHE  A  330  .  ?        ?     ?  
306  1  1  A  331  ASN  A  331  .  ?        ?     ?  
307  1  1  A  332  LYS  A  332  .  ?        ?     ?  
308  1  1  A  333  ASP  A  333  .  ?        1     ?  
309  1  1  A  334  ASN  A  334  .  ?        ?     ?  
310  1  1  A  335  ILE  A  335  .  ?        ?     ?  
311  1  1  A  336  ASP  A  336  .  ?        ?     ?  
312  1  1  A  337  LYS  A  337  .  ?        ?     ?  
313  1  1  A  338  TYR  A  338  .  ?        ?     ?  
314  1  1  A  339  ASP  A  339  .  ?        ?     ?  
315  1  1  A  340  PHE  A  340  .  ?        ?     ?  
316  1  2  B    .  PAV  A  401  .  ?        1     6  
317  1  3  C    .  HOH  A  501  .  ?        1     ?  
318  1  3  C    .  HOH  A  502  .  ?        1     ?  
319  1  3  C    .  HOH  A  503  .  ?        ?     ?  
320  1  3  C    .  HOH  A  504  .  ?        ?     ?  
321  1  3  C    .  HOH  A  505  .  ?        ?     ?  
322  1  3  C    .  HOH  A  506  .  ?        ?     ?  
323  1  3  C    .  HOH  A  507  .  ?        ?     ?  
#
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.flippable_sidechain
_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  ?             ?       ?  ?           ?     4  63.580     5  0.15     7  0.27  molprobity  1.000  
  2    2  pt-20     -91.0   124.7  Favored     ?     6  57.600     9  0.20    12  0.29  molprobity  1.000  
  3    3  mtm180   -119.3   127.8  Favored     ?    13  41.280    11  0.16    14  0.33  molprobity  1.000  
  4    4  mt       -115.7   128.7  Favored     ?    11  39.090     8  0.16    11  0.44  molprobity  1.000  
  5    5  ?         -96.3   130.2  Favored     ?     5  38.810     5  0.15     7  0.26  molprobity  1.000  
  6    6  t80      -117.7    98.6  Favored     ?     9  38.880    12  0.33    16  0.19  molprobity  1.000  
  7    7  mt       -103.2   122.8  Favored     ?    11  33.760     8  0.16    12  0.75  molprobity  1.000  
  8    8  Cg_endo   -88.9   170.9  Favored     ?     7  36.860     8  0.18    11  0.24  molprobity  1.000  
  9    9  mttt      -60.4   -46.9  Favored     ?    13  36.880     9  0.21    11  0.48  molprobity  1.000  
 10   10  pt?      -155.9   167.8  Favored     ?    11  36.550     8  0.22    11  0.44  molprobity  1.000  
 11   11  m        -104.2   157.7  Favored     ?     9  36.030     7  0.13    10  0.38  molprobity  1.000  
 12   12  ?         102.9   -12.9  Favored     ?     3  43.260     4  0.23     5  0.16  molprobity  1.000  
 13   13  t         -95.5   135.9  Favored     ?     9  36.470     7  0.13    10  0.34  molprobity  1.000  
 14   14  ?         -60.1   -27.3  Favored     ?     3  40.840     4  0.23     5  0.33  molprobity  1.000  
 15   15  t80       -64.7   -47.8  Favored     ?     9  38.030    12  0.32    16  0.20  molprobity  1.000  
 16   16  m-85      -75.7   -30.6  Favored     ?     9  39.990    12  0.36    16  0.23  molprobity  1.000  
 17   17  m         -65.0   -42.5  Favored     ?     7  40.620     7  0.25    10  0.57  molprobity  1.000  
 18   18  m         -65.2   -45.1  Favored     ?     5  43.030     6  0.15     8  0.16  molprobity  1.000  
 19   19  ?         -65.5   -38.1  Favored     ?     3  42.210     4  0.19     5  0.22  molprobity  1.000  
 20   20  ?         -67.6   -39.0  Favored     ?     3  49.710     4  0.21     5  0.28  molprobity  1.000  
 21   21  m-20      -65.7   -40.7  Favored     ?     6  48.800     8  0.20    11  0.25  molprobity  1.000  
 22   22  ?         -68.3   -24.2  Favored     ?     3  48.130     4  0.22     5  0.37  molprobity  1.000  
 23   23  ?         -77.7   -47.2  Favored     ?     5  48.020     5  0.14     7  0.26  molprobity  1.000  
 24   24  mt-30     -65.8   -34.5  Favored     ?     8  51.860     9  0.20    12  0.26  molprobity  1.000  
 25   25  tt0       -65.7   -38.1  Favored     ?     6  61.960     9  0.20    12  0.33  molprobity  1.000  
 26   26  ?         -68.4   -42.0  Favored     ?     5  43.490     5  0.12     7  0.21  molprobity  1.000  
 27   27  ?         -66.4   -33.5  Favored     ?     3  43.940     4  0.26     5  0.22  molprobity  1.000  
 28   28  mtmt      -70.2   -32.7  Favored     ?    13  48.970     9  0.25    11  0.23  molprobity  1.000  
 29   29  ?         -77.7   -12.4  Favored     ?     5  41.880     5  0.15     7  0.27  molprobity  1.000  
 30   30  mt       -109.4    -1.0  Favored     ?    11  44.650     8  0.16    11  0.26  molprobity  1.000  
 31   31  ?          71.6    33.5  Favored     ?     3  51.080     4  0.23     5  0.42  molprobity  1.000  
 32   32  mt       -117.7   130.7  Favored     ?    11  47.020     8  0.18    11  0.41  molprobity  1.000  
 33   33  m-20      -83.9   103.3  Favored     ?     4  53.950     8  0.16    11  0.23  molprobity  1.000  
 34   34  t         -95.1   120.8  Favored     ?     9  49.030     7  0.16    10  0.46  molprobity  1.000  
 35   35  m         -98.3   112.5  Favored     ?     7  42.290     7  0.23    10  0.60  molprobity  1.000  
 36   36  t80       -92.3   116.0  Favored     ?     9  40.350    13  0.22    18  0.22  molprobity  1.000  
 37   37  t0       -153.9   139.0  Favored     ?     4  41.810     8  0.11    11  0.23  molprobity  1.000  
 38   38  ?        -153.9   164.9  Favored     ?     3  39.290     4  0.20     6  0.60  molprobity  1.000  
 39   39  Cg_endo   -69.4   159.1  Favored     ?     7  36.650     8  0.14    11  0.19  molprobity  1.000  
 40   40  p         -73.0   -18.7  Favored     ?     7  39.900     7  0.20    10  0.64  molprobity  1.000  
 41   41  pt-20    -141.5   143.6  Favored     ?     6  54.290     9  0.17    13  0.46  molprobity  1.000  
 42   42  Cg_endo   -69.3    95.1  Allowed     ?     7  40.890     8  0.14    11  0.23  molprobity  1.000  
 43   43  p        -132.7   157.8  Favored     ?     5  43.380     6  0.19     8  0.22  molprobity  1.000  
 44   44  t         -66.4   -48.9  Favored     ?     9  45.670     7  0.17    10  0.46  molprobity  1.000  
 45   45  m         -61.4   -31.0  Favored     ?     5  54.070     6  0.15     8  0.19  molprobity  1.000  
 46   46  ?         -64.8   -47.2  Favored     ?     3  49.460     4  0.25     5  0.21  molprobity  1.000  
 47   47  mt-30     -75.9   -40.4  Favored     ?     8  42.590     9  0.21    12  0.26  molprobity  1.000  
 48   48  t         -58.2   -44.3  Favored     ?     9  40.600     7  0.20    10  0.41  molprobity  1.000  
 49   49  tt0       -57.2   -40.9  Favored     ?     8  60.740     9  0.21    12  0.36  molprobity  1.000  
 50   50  mt        -73.5   -44.3  Favored     ?    11  44.960     8  0.15    11  0.22  molprobity  1.000  
 51   51  t         -56.8   -49.3  Favored     ?     9  40.850     7  0.13    10  0.41  molprobity  1.000  
 52   52  m-20      -60.9   -33.5  Favored     ?     6  43.810     8  0.19    11  0.28  molprobity  1.000  
 53   53  t-20      -67.4   -50.5  Favored     ?     6  48.000     8  0.21    11  0.27  molprobity  1.000  
 54   54  m-85      -65.5   -26.7  Favored     ?     9  42.210    12  0.29    16  0.19  molprobity  1.000  
 55   55  t         -70.2   -50.1  Favored     ?     9  41.300     7  0.19    10  0.40  molprobity  1.000  
 56   56  m-20      -62.1   -30.4  Favored     ?     6  40.660     8  0.21    11  0.26  molprobity  1.000  
 57   57  mt-30     -76.0   -15.5  Favored     ?     8  43.420     9  0.20    12  0.25  molprobity  1.000  
 58   58  ?          82.1    48.8  Favored     ?     3  36.940     4  0.24     5  0.22  molprobity  1.000  
 59   59  m-85      -75.1   149.3  Favored     ?     9  41.310    13  0.22    18  0.21  molprobity  1.000  
 60   60  m-20      -81.8   -35.3  Favored     ?     4  41.270     8  0.16    11  0.25  molprobity  1.000  
 61   61  ?        -145.2   147.6  Favored     ?     5  39.450     5  0.13     7  0.26  molprobity  1.000  
 62   62  mt       -133.4   117.1  Favored     ?    11  36.080     8  0.15    11  0.50  molprobity  1.000  
 63   63  mt       -105.0   117.9  Favored     ?    11  34.420     8  0.18    11  0.37  molprobity  1.000  
 64   64  p        -131.0   135.0  Favored     ?     9  29.800     7  0.18    10  0.57  molprobity  1.000  
 65   65  t         -97.1   106.2  Favored     ?     5  32.600     6  0.20     8  0.37  molprobity  1.000  
 66   66  ?         -71.9   146.9  Favored     ?     5  33.200     5  0.16     7  0.52  molprobity  1.000  
 67   67  m         -99.2    -5.0  Favored     ?     9  35.300     7  0.16    10  0.53  molprobity  1.000  
 68   68  t        -154.8   136.0  Favored     ?     5  37.550     6  0.17     9  0.49  molprobity  1.000  
 69   69  Cg_endo   -64.7   -40.9  Favored     ?     7  39.670     8  0.14    11  0.24  molprobity  1.000  
 70   70  p30      -112.3    -1.5  Favored     ?     4  49.870     8  0.13    11  0.32  molprobity  1.000  
 71   71  ?         -71.3   -30.9  Favored     ?     3  39.420     4  0.25     5  0.26  molprobity  1.000  
 72   72  mp       -100.8    -4.6  Favored     ?    11  38.180     8  0.21    11  0.64  molprobity  1.000  
 73   73  m         -58.4   -44.3  Favored     ?     4  43.460     6  0.38     9  0.94  molprobity  1.000  
 74   74  Cg_exo    -60.8   -31.5  Favored     ?     7  37.320     8  0.18    11  0.28  molprobity  1.000  
 75   75  ?         -82.0   -33.6  Favored     ?     5  38.530     5  0.14     7  0.21  molprobity  1.000  
 76   76  mt        -71.6   -38.9  Favored     ?    11  36.920     8  0.19    11  0.29  molprobity  1.000  
 77   77  mttt      -69.6   -32.4  Favored     ?    13  43.810     9  0.21    11  0.21  molprobity  1.000  
 78   78  ?         -63.8   -36.9  Favored     ?     8  44.060     8  0.15    10  0.30  molprobity  1.000  
 79   79  ?         -65.8   -47.2  Favored     ?     5  41.290     5  0.14     7  0.25  molprobity  1.000  
 80   80  mtm       -65.7   -30.1  Favored     ?     9  44.620     8  0.23    10  0.26  molprobity  1.000  
 81   81  mt-30     -70.1   -15.4  Favored     ?     8  45.670     9  0.22    12  0.29  molprobity  1.000  
 82   82  mtt-85   -104.0    -1.2  Favored     ?    13  49.880    11  0.14    14  0.31  molprobity  1.000  
 83   83  ?          93.8     9.0  Favored     ?     3  39.490     4  0.25     5  0.20  molprobity  1.000  
 84   84  t         -77.6   118.3  Favored     ?     9  37.950     7  0.15    10  0.43  molprobity  1.000  
 85   85  mmtt      -68.3   116.2  Favored     ?    13  32.090     9  0.23    11  0.23  molprobity  1.000  
 86   86  mm       -103.7   122.8  Favored     ?    11  33.080     8  0.18    11  0.51  molprobity  1.000  
 87   87  mp       -129.8   154.3  Favored     ?    11  34.880     8  0.22    11  0.62  molprobity  1.000  
 88   88  p        -121.3   144.7  Favored     ?     7  30.150     7  0.24    10  0.66  molprobity  1.000  
 89   89  p-90     -129.8   156.8  Favored     ?    10  34.980    16  0.14    23  0.23  molprobity  1.000  
 90   90  t70        58.1   -76.0  OUTLIER     ?     4  36.980     8  0.15    11  0.27  molprobity  1.000  
 91   91  t        -108.0   126.3  Favored     ?     5  34.470     6  0.18     8  0.28  molprobity  1.000  
 92   92  t0        -88.8   160.2  Favored     ?     4  32.640     8  0.16    11  0.29  molprobity  1.000  
 93   93  p         -96.2  -152.9  Allowed     ?     7  36.500     7  0.23    10  0.74  molprobity  1.000  
 94   94  mtpp      -79.2   141.1  Favored     ?    13  41.350     9  0.23    12  0.58  molprobity  1.000  
 95   95  Cg_endo   -57.2   -27.8  Favored     ?     7  41.170     8  0.18    11  0.26  molprobity  1.000  
 96   96  pm0       -84.3    -9.8  Favored     ?     6  49.780     9  0.19    12  0.30  molprobity  1.000  
 97   97  m         -91.2   -16.1  Favored     ?     4  46.320     6  0.20     8  0.22  molprobity  1.000  
 98   98  ppt_?    -129.4  -172.3  Favored     ?    13  39.770    11  0.18    14  0.34  molprobity  1.000  
 99   99  t        -111.1   -59.0  Favored     ?     5  41.950     6  0.19     8  0.18  molprobity  1.000  
100  100  m-85     -125.4   144.1  Favored     ?     9  40.670    13  0.32    18  0.33  molprobity  1.000  
101  101  t80      -114.5   103.2  Favored     ?     9  34.770    13  0.25    18  0.32  molprobity  1.000  
102  102  mm        -75.0    84.9  Allowed     ?    11  33.150     8  0.19    11  0.45  molprobity  1.000  
103  103  t30       -94.9   145.2  Favored     ?     6  40.400     8  0.20    11  0.39  molprobity  1.000  
104  104  pm0       -87.5     6.2  Favored     ?     8  34.130     9  0.20    12  0.28  molprobity  1.000  
105  105  ?         144.0   153.4  Favored     ?     3  37.880     4  0.22     5  0.32  molprobity  1.000  
106  106  p         -65.5   153.5  Favored     ?     7  41.330     7  0.27    11  0.64  molprobity  1.000  
107  107  Cg_exo    -56.1   -30.5  Favored     ?     7  35.730     8  0.14    11  0.21  molprobity  1.000  
108  108  ?         -68.4   -39.5  Favored     ?     8  37.320     8  0.23    10  0.20  molprobity  1.000  
109  109  mt-30     -66.9   -56.1  Favored     ?     8  43.090     9  0.20    12  0.29  molprobity  1.000  
110  110  mt        -69.2   -30.9  Favored     ?    11  37.960     8  0.15    11  0.22  molprobity  1.000  
111  111  ?         -69.7   -30.5  Favored     ?     3  37.830     4  0.23     5  0.42  molprobity  1.000  
112  112  t         -71.2   -42.1  Favored     ?     3  45.640     6  0.20     8  0.27  molprobity  0.923  
113  113  mtp       -59.4   -42.3  Favored     ?     9  35.800     8  0.20    10  0.30  molprobity  1.000  
114  114  mt        -62.9   -39.5  Favored     ?    11  37.770     8  0.19    11  0.25  molprobity  1.000  
115  115  t         -76.8   -41.5  Favored     ?     9  44.690     7  0.14    10  0.40  molprobity  1.000  
116  116  mt-10     -64.0   -41.8  Favored     ?     6  43.940     9  0.18    12  0.25  molprobity  1.000  
117  117  mtm       -63.6   -38.5  Favored     ?     9  40.620     8  0.22    10  0.33  molprobity  1.000  
118  118  ?         -70.8   -44.8  Favored     ?     5  42.270     5  0.14     7  0.22  molprobity  1.000  
119  119  ?         -62.7   -33.7  Favored     ?     5  45.890     5  0.18     7  0.27  molprobity  1.000  
120  120  t60       -72.5   -23.1  Favored     ?     7  56.830    11  0.15    15  0.21  molprobity  1.000  
121  121  mm-40     -98.7   -32.7  Favored     1     8  45.770     9  0.20    12  0.32  molprobity  1.000  
122  122  t         -79.2   -45.1  Favored     ?     9  49.520     7  0.23    10  0.47  molprobity  1.000  
123  123  t0         56.6    36.9  Favored     ?     4  60.480     8  0.18    11  0.35  molprobity  1.000  
124  124  pttt     -157.5   138.9  Favored     ?    13  49.940     9  0.21    11  0.33  molprobity  1.000  
125  125  mm-40     -73.3   -11.9  Favored     ?     6  43.620     9  0.23    12  0.32  molprobity  1.000  
126  126  ttmt     -121.6   106.9  Favored     ?    13  55.360     9  0.32    11  0.40  molprobity  1.000  
127  127  ?        -156.0   179.1  Favored     ?     5  43.440     5  0.14     7  0.26  molprobity  1.000  
128  128  mttt     -121.8   122.9  Favored     ?    13  46.780     9  0.23    11  0.25  molprobity  1.000  
129  129  t        -116.2   148.6  Favored     ?     9  42.370     7  0.14    10  0.37  molprobity  1.000  
130  130  ?        -130.6   133.4  Favored     ?     5  39.430     5  0.12     7  0.24  molprobity  1.000  
131  131  m-85      -92.9   147.8  Favored     ?     9  35.460    12  0.32    16  0.20  molprobity  1.000  
132  132  t80      -161.0   101.5  Allowed     ?     9  41.530    12  0.32    16  0.22  molprobity  1.000  
133  133  p90      -134.8  -158.2  Allowed     ?     9  36.250    13  0.23    18  0.31  molprobity  1.000  
134  134  p         -72.0   -75.1  Allowed     ?     5  31.460     6  0.20     8  0.36  molprobity  1.000  
135  135  p        -140.5   151.7  Favored     ?     5  32.370     6  0.22     9  0.41  molprobity  1.000  
136  136  Cg_endo   -72.1   -12.9  Favored     ?     7  31.470     8  0.14    11  0.28  molprobity  1.000  
137  137  p        -103.6    -9.9  Favored     ?     7  31.020     7  0.23    10  0.65  molprobity  1.000  
138  138  p         -67.1   152.7  Favored     ?     9  31.680     7  0.20    10  0.28  molprobity  1.000  
139  139  m         -83.2   -59.8  Favored     ?     7  32.300     7  0.18    10  0.73  molprobity  1.000  
140  140  p-10      -58.3   -47.8  Favored     ?     4  37.300     8  0.13    11  0.29  molprobity  1.000  
141  141  mt-30     -68.2   -44.8  Favored     ?     8  33.150     9  0.20    12  0.27  molprobity  1.000  
142  142  m-80      -64.5   -26.4  Favored     ?     6  29.690     8  0.22    11  0.29  molprobity  1.000  
143  143  mt-30     -73.5   -33.7  Favored     ?     8  31.800     9  0.21    12  0.30  molprobity  1.000  
144  144  m0        -75.0   -46.4  Favored     ?    10  31.450    16  0.13    23  0.24  molprobity  1.000  
145  145  t         -61.9   -42.8  Favored     ?     9  31.240     7  0.18    10  0.42  molprobity  1.000  
146  146  ttmt      -63.7   -40.8  Favored     ?    13  42.720     9  0.19    11  0.18  molprobity  1.000  
147  147  mm-40     -70.9   -31.8  Favored     ?     6  41.070     9  0.20    12  0.29  molprobity  1.000  
148  148  ?         -69.9   -48.2  Favored     ?     5  34.040     5  0.12     7  0.27  molprobity  1.000  
149  149  mttt      -62.4   -36.9  Favored     ?    13  36.520     9  0.22    11  0.23  molprobity  1.000  
150  150  ?         -67.3   -38.2  Favored     ?     5  37.530     5  0.15     7  0.32  molprobity  1.000  
151  151  tttp      -69.5   -36.4  Favored     ?    13  40.830     9  0.21    11  0.24  molprobity  1.000  
152  152  mt        -65.6   -48.3  Favored     ?    11  42.050     8  0.16    11  0.43  molprobity  1.000  
153  153  p         -64.5   -22.6  Favored     ?     5  45.650     6  0.18     8  0.21  molprobity  1.000  
154  154  mt-30     -88.5   -43.9  Favored     ?     8  52.950     9  0.21    12  0.34  molprobity  1.000  
155  155  mt-10     -96.5   -28.9  Favored     ?     6  44.300     9  0.20    12  0.28  molprobity  1.000  
156  156  m-70     -131.9    75.4  Favored     ?     7  41.190    11  0.12    16  0.35  molprobity  1.000  
157  157  Cg_endo   -68.5   -20.2  Favored     ?     7  40.710     8  0.11    11  0.18  molprobity  1.000  
158  158  ?         -77.4    -9.4  Favored     ?     3  38.440     4  0.24     5  0.27  molprobity  1.000  
159  159  m0        -83.5   133.1  Favored     ?    10  41.910    16  0.15    23  0.19  molprobity  1.000  
160  160  tt0      -113.1   106.3  Favored     ?     6  49.930     9  0.18    12  0.31  molprobity  1.000  
161  161  mt        -71.1    96.7  Allowed     ?    11  36.540     8  0.19    11  0.43  molprobity  1.000  
162  162  m         -79.3   -31.2  Favored     ?     9  45.390     7  0.15    10  0.56  molprobity  1.000  
163  163  t        -157.9   163.8  Favored     ?     7  43.160     7  0.23    10  0.69  molprobity  1.000  
164  164  m        -151.0    97.6  Favored     ?     7  43.610     7  0.24    10  0.58  molprobity  1.000  
165  165  mt-30    -115.1   174.2  Favored     ?     8  43.230     9  0.21    12  0.27  molprobity  1.000  
166  166  m-85     -130.7   158.6  Favored     ?     9  37.590    12  0.33    16  0.28  molprobity  1.000  
167  167  ?        -122.2   -15.5  Favored     ?     3  41.650     4  0.22     5  0.43  molprobity  1.000  
168  168  m-85       58.4    40.1  Favored     ?     9  37.300    13  0.22    18  0.33  molprobity  1.000  
169  169  m120       54.4    28.0  Favored     ?     6  37.520     8  0.24    11  0.43  molprobity  1.000  
170  170  t0       -112.2   116.6  Favored     ?     4  43.600     8  0.17    11  0.37  molprobity  1.000  
171  171  ?         -55.3   -37.0  Favored     ?     5  41.280     5  0.15     7  0.27  molprobity  1.000  
172  172  m         -71.8   -54.1  Favored     ?     7  51.680     7  0.22    10  0.61  molprobity  1.000  
173  173  tmtm?     -63.1   -33.4  Favored     ?    13  49.120     9  0.21    11  0.25  molprobity  1.000  
174  174  m         -66.6   -33.9  Favored     ?     5  49.870     6  0.19     8  0.19  molprobity  1.000  
175  175  tp        -71.5   -43.4  Favored     ?    11  49.310     8  0.18    11  0.20  molprobity  1.000  
176  176  mt-30     -60.2   -48.8  Favored     ?     8  59.310     9  0.23    12  0.38  molprobity  1.000  
177  177  m         -62.2   -41.8  Favored     ?     7  47.210     7  0.24    10  0.54  molprobity  1.000  
178  178  ?         -64.3   -40.6  Favored     ?     5  47.030     5  0.13     7  0.19  molprobity  1.000  
179  179  mt-10     -68.6   -38.9  Favored     ?     6  50.940     9  0.18    12  0.26  molprobity  1.000  
180  180  ?         -60.6   -44.5  Favored     ?     3  44.150     4  0.20     5  0.29  molprobity  1.000  
181  181  mt        -61.4   -46.1  Favored     ?    11  46.160     8  0.16    11  0.54  molprobity  1.000  
182  182  mt        -61.0   -39.4  Favored     ?    11  44.170     8  0.21    11  0.36  molprobity  1.000  
183  183  mttt      -72.1   -50.3  Favored     ?    13  42.120     9  0.21    11  0.33  molprobity  1.000  
184  184  ?         -67.4   -25.3  Favored     ?     5  50.420     5  0.16     7  0.25  molprobity  1.000  
185  185  m-85     -121.1    90.3  Favored     ?     9  47.720    13  0.21    19  0.48  molprobity  1.000  
186  186  Cg_endo   -74.6   -17.2  Favored     ?     7  53.950     8  0.12    11  0.21  molprobity  1.000  
187  187  m-20      -94.2    10.1  Favored     ?     4  62.450     8  0.14    11  0.25  molprobity  1.000  
188  188  tp        -69.3   134.4  Favored     ?    11  43.570     8  0.17    11  0.32  molprobity  1.000  
189  189  m-20     -108.9   -29.2  Favored     ?     4  47.720     8  0.15    11  0.29  molprobity  1.000  
190  190  ?        -151.9   148.2  Favored     ?     5  41.690     5  0.13     7  0.45  molprobity  1.000  
191  191  mt       -123.8   116.2  Favored     ?    11  38.030     8  0.19    11  0.49  molprobity  1.000  
192  192  mt        -96.8   111.3  Favored     ?    11  35.080     8  0.17    11  0.40  molprobity  1.000  
193  193  ?        -121.7    84.7  Favored     ?     5  35.190     5  0.09     8  0.55  molprobity  1.000  
194  194  Cg_endo   -77.7    57.3  Favored     ?     7  36.180     8  0.15    11  0.22  molprobity  1.000  
195  195  t70      -154.7   140.4  Favored     ?     4  36.210     8  0.15    11  0.23  molprobity  1.000  
196  196  ?         -67.9   -19.0  Favored     ?     5  35.030     5  0.16     7  0.26  molprobity  1.000  
197  197  m120     -101.5   -27.6  Favored     ?     6  42.410     8  0.22    11  0.29  molprobity  1.000  
198  198  ?         -77.3   -40.9  Favored     ?     5  39.530     5  0.14     7  0.23  molprobity  1.000  
199  199  tp        -62.3   -48.6  Favored     ?    11  35.200     8  0.31    12  0.81  molprobity  1.000  
200  200  Cg_endo   -71.5   -26.7  Favored     ?     7  39.170     8  0.16    11  0.20  molprobity  1.000  
201  201  ?         -68.8   -35.3  Favored     ?     5  40.660     5  0.15     7  0.27  molprobity  1.000  
202  202  ?         -69.6   -39.0  Favored     ?     5  41.170     5  0.14     7  0.31  molprobity  1.000  
203  203  ?         -67.0   -39.5  Favored     ?     5  44.450     5  0.15     7  0.33  molprobity  1.000  
204  204  tp60      -66.1   -39.9  Favored     ?     8  43.010     9  0.21    12  0.31  molprobity  1.000  
205  205  ?         -65.1   -34.0  Favored     ?     5  43.700     5  0.16     7  0.25  molprobity  1.000  
206  206  ?         -68.1   -38.0  Favored     ?     5  38.150     5  0.16     7  0.31  molprobity  1.000  
207  207  mt-10     -76.7   -34.6  Favored     ?     6  46.760     9  0.20    12  0.24  molprobity  1.000  
208  208  m-20      -65.2   -42.3  Favored     ?     6  46.220     8  0.20    11  0.30  molprobity  1.000  
209  209  mt        -93.7     6.7  Favored     ?    11  45.940     8  0.18    11  0.38  molprobity  1.000  
210  210  mptt       55.4    35.4  Favored     ?    13  58.900     9  0.22    11  0.38  molprobity  1.000  
211  211  ttt85     -92.4   118.3  Favored     ?    13  62.220    11  0.19    14  0.38  molprobity  1.000  
212  212  m-20      -97.7  -173.1  Favored     ?     6  66.530     8  0.16    11  0.35  molprobity  1.000  
213  213  t-20       56.0    25.8  Favored     ?     6  74.250     8  0.21    11  0.34  molprobity  1.000  
214  214  tp       -117.1   110.9  Favored     ?    11  51.230     8  0.18    11  0.29  molprobity  1.000  
215  215  ?         -71.9   123.1  Favored     ?     5  43.560     5  0.17     7  0.20  molprobity  1.000  
216  216  mt       -124.8   104.4  Favored     ?    11  43.510     8  0.17    11  0.44  molprobity  1.000  
217  217  m        -123.3   162.5  Favored     ?     9  35.590     7  0.12    10  0.45  molprobity  1.000  
218  218  ?         164.7  -160.1  Favored     ?     3  33.580     4  0.23     5  0.33  molprobity  1.000  
219  219  m-30     -118.1   115.4  Favored     ?     9  32.930    12  0.31    16  0.24  molprobity  1.000  
220  220  t        -159.9   173.6  Favored     ?     5  34.310     6  0.18     8  0.26  molprobity  1.000  
221  221  p         -80.8   142.7  Favored     ?     7  40.210     7  0.23    11  0.70  molprobity  1.000  
222  222  Cg_endo   -66.4   -19.9  Favored     ?     7  44.880     8  0.15    11  0.21  molprobity  1.000  
223  223  m120      -65.1   -46.2  Favored     ?     6  54.500     8  0.24    11  0.34  molprobity  1.000  
224  224  t         -79.6   -38.7  Favored     ?     9  41.590     7  0.16    10  0.46  molprobity  1.000  
225  225  mmm       -78.6    -6.3  Favored     ?     9  42.630     8  0.21    10  0.47  molprobity  1.000  
226  226  ttt-85    -59.0   -45.8  Favored     ?    13  43.170    11  0.28    15  0.74  molprobity  1.000  
227  227  Cg_exo    -63.4   -38.5  Favored     ?     7  43.310     8  0.17    11  0.30  molprobity  1.000  
228  228  m-85      -69.5   -25.3  Favored     ?     9  39.950    13  0.25    18  0.21  molprobity  1.000  
229  229  t         -76.6   -45.1  Favored     ?     9  40.020     7  0.16    10  0.39  molprobity  1.000  
230  230  mt-30     -62.8   -37.9  Favored     ?     8  49.410     9  0.22    12  0.29  molprobity  1.000  
231  231  mtm-85    -78.2    -7.2  Favored     ?    13  41.320    11  0.14    14  0.27  molprobity  1.000  
232  232  ?          88.0     1.2  Favored     ?     3  44.060     4  0.22     5  0.27  molprobity  1.000  
233  233  m         -62.8   -40.7  Favored     ?     7  41.120     7  0.22    10  0.57  molprobity  1.000  
234  234  t        -121.0   112.1  Favored     ?     9  40.900     7  0.17    10  0.42  molprobity  1.000  
235  235  mmtm      -83.6   -25.7  Favored     ?    13  42.520     9  0.20    11  0.32  molprobity  1.000  
236  236  tt0      -157.9   133.7  Favored     ?     6  46.630     9  0.18    12  0.46  molprobity  1.000  
237  237  p90      -150.3  -179.1  Favored     ?     9  39.630    12  0.30    16  0.39  molprobity  1.000  
238  238  ?        -147.8   160.1  Favored     ?     3  37.860     4  0.23     5  0.61  molprobity  1.000  
239  239  tp       -163.4  -142.7  Allowed     ?    11  36.270     8  0.23    11  0.42  molprobity  1.000  
240  240  p90      -161.9   171.5  Favored     ?    10  35.610    16  0.15    23  0.21  molprobity  1.000  
241  241  t0        -74.4    84.0  Allowed     ?     4  44.690     8  0.17    11  0.37  molprobity  1.000  
242  242  p         -64.3   -32.4  Favored     ?     9  39.780     7  0.20    10  0.27  molprobity  1.000  
243  243  t         -60.8   -45.8  Favored     ?     9  44.890     7  0.16    10  0.46  molprobity  1.000  
244  244  tt0       -64.3   -36.5  Favored     ?     8  48.050     9  0.22    12  0.32  molprobity  1.000  
245  245  tt0       -61.3   -43.9  Favored     ?     8  38.310     9  0.18    12  0.24  molprobity  1.000  
246  246  ?         -67.8   -29.9  Favored     ?     3  45.960     4  0.25     5  0.50  molprobity  1.000  
247  247  ttmt      -69.7   -44.0  Favored     ?    13  48.690     9  0.21    11  0.27  molprobity  1.000  
248  248  mt        -63.9   -42.1  Favored     ?    11  42.460     8  0.15    11  0.48  molprobity  1.000  
249  249  p         -56.7   -37.6  Favored     ?     3  42.850     6  0.20     8  0.23  molprobity  1.000  
250  250  p         -56.7   -37.6  Favored     ?     3  42.850     6  0.20     8  0.23  molprobity  1.000  
251  251  t         -73.7   -44.7  Favored     ?     9  39.830     7  0.15    10  0.42  molprobity  1.000  
252  252  m-85      -60.7   -41.3  Favored     ?     9  43.020    13  0.23    18  0.23  molprobity  1.000  
253  253  t         -65.6   -43.2  Favored     ?     9  42.100     7  0.16    10  0.40  molprobity  1.000  
254  254  ?         -61.9   -36.6  Favored     ?     5  44.640     5  0.14     7  0.27  molprobity  1.000  
255  255  t30       -65.6   -35.9  Favored     ?     6  48.400     8  0.21    11  0.30  molprobity  1.000  
256  256  ?         -66.5   -28.1  Favored     ?     5  47.980     5  0.15     7  0.26  molprobity  1.000  
257  257  mt        -76.6   -33.9  Favored     ?    11  45.390     8  0.19    11  0.25  molprobity  1.000  
258  258  mt        -74.2   -23.5  Favored     ?    11  49.790     8  0.19    11  0.24  molprobity  1.000  
259  259  mtmt     -108.4    23.7  Favored     ?    13  62.000     9  0.18    11  0.45  molprobity  1.000  
260  260  m120       59.1    29.4  Favored     ?     6  71.100     8  0.26    11  0.62  molprobity  1.000  
261  261  mtt       -79.2   147.9  Favored     ?     9  62.700     8  0.21    11  0.55  molprobity  1.000  
262  262  Cg_endo   -66.2   116.4  Favored     ?     7  58.980     8  0.14    11  0.19  molprobity  1.000  
263  263  mmm      -134.3    41.8  Favored     ?     9  54.470     8  0.22    10  0.30  molprobity  1.000  
264  264  m-20      -77.8   171.2  Favored     ?     6  45.470     8  0.22    11  0.23  molprobity  1.000  
265  265  t         -62.9   107.4  Allowed     ?     9  41.670     7  0.14    10  0.42  molprobity  1.000  
266  266  ?         126.3   -26.4  Favored     ?     3  43.210     4  0.24     5  0.27  molprobity  1.000  
267  267  m-20      -71.5   164.5  Favored     ?     4  47.750     8  0.15    11  0.26  molprobity  1.000  
268  268  m        -127.1   177.4  Favored     ?     3  45.020     6  0.17     8  0.24  molprobity  1.000  
269  269  tp       -157.0   137.8  Favored     ?    11  50.220     8  0.18    11  0.26  molprobity  1.000  
270  270  m-20      -94.3   123.6  Favored     ?     4  58.920     8  0.14    11  0.26  molprobity  1.000  
271  271  mm       -118.4   123.2  Favored     ?    11  51.520     8  0.15    12  0.68  molprobity  1.000  
272  272  Cg_exo    -58.4   126.5  Favored     ?     7  50.190     8  0.12    11  0.19  molprobity  1.000  
273  273  ?          83.1    -3.9  Favored     ?     3  48.480     4  0.23     5  0.20  molprobity  1.000  
274  274  mt       -119.9   -60.1  Favored     ?    11  49.940     8  0.15    11  0.45  molprobity  1.000  
275  275  ?         127.3  -122.5  Favored     ?     3  55.130     4  0.27     5  0.32  molprobity  1.000  
276  276  tttm     -115.9   116.9  Favored     ?    13  52.490     9  0.21    11  0.37  molprobity  1.000  
277  277  m        -103.7   157.6  Favored     ?     9  43.420     7  0.18    10  0.38  molprobity  1.000  
278  278  m        -139.8   136.5  Favored     ?     7  36.360     7  0.26    10  0.53  molprobity  1.000  
279  279  t         -74.4   105.2  Favored     ?     9  38.360     7  0.21    10  0.45  molprobity  1.000  
280  280  m         -92.3   150.6  Favored     ?     5  37.920     6  0.24     9  0.35  molprobity  1.000  
281  281  Cg_endo   -65.1   158.8  Favored     ?     7  36.770     8  0.15    11  0.19  molprobity  1.000  
282  282  m-20      -70.8   -10.7  Favored     ?     6  37.350     8  0.21    11  0.30  molprobity  1.000  
283  283  p         -67.6   -20.6  Favored     ?     5  42.940     6  0.18     8  0.23  molprobity  1.000  
284  284  mm-40     -64.9   -29.0  Favored     ?     6  41.990     9  0.20    12  0.30  molprobity  1.000  
285  285  tp60      -88.6   -13.3  Favored     ?     8  33.310     9  0.20    12  0.29  molprobity  1.000  
286  286  ?          99.6    20.8  Favored     ?     3  36.030     4  0.22     5  0.36  molprobity  1.000  
287  287  m-85      -88.3   149.9  Favored     ?     9  39.930    13  0.26    18  0.33  molprobity  1.000  
288  288  m-70     -107.6    67.3  Allowed     ?     7  46.290    11  0.14    15  0.29  molprobity  1.000  
289  289  t80      -160.4   124.6  Favored     ?     9  39.390    13  0.24    18  0.23  molprobity  1.000  
290  290  mm-40    -138.4   144.1  Favored     ?     6  38.580     9  0.23    12  0.30  molprobity  1.000  
291  291  ?        -159.1   157.3  Favored     ?     5  32.300     5  0.15     7  0.25  molprobity  1.000  
292  292  mmtm      -66.4   128.9  Favored     ?    13  41.440     9  0.20    11  0.22  molprobity  1.000  
293  293  ?          76.3    27.2  Favored     ?     3  44.280     4  0.27     5  0.41  molprobity  1.000  
294  294  t-20     -143.2   119.4  Favored     ?     6  37.020     8  0.20    11  0.27  molprobity  1.000  
295  295  ?        -168.6  -170.6  Favored     ?     3  39.540     4  0.24     5  0.28  molprobity  1.000  
296  296  mt       -121.0   127.9  Favored     ?    11  36.030     8  0.17    11  0.43  molprobity  1.000  
297  297  t         -97.5   105.6  Favored     ?     9  35.530     7  0.17    10  0.43  molprobity  1.000  
298  298  mt        -81.9   138.7  Favored     ?    11  40.610     8  0.19    11  0.29  molprobity  1.000  
299  299  mp        -67.7   139.1  Favored     ?    11  38.850     8  0.18    12  0.60  molprobity  1.000  
300  300  Cg_exo    -60.3   -38.1  Favored     ?     7  40.980     8  0.15    11  0.31  molprobity  1.000  
301  301  tt0      -144.1   140.1  Favored     ?     6  50.490     9  0.18    12  0.49  molprobity  1.000  
302  302  mtm-85   -109.4   155.1  Favored     ?    13  39.100    11  0.14    14  0.30  molprobity  1.000  
303  303  t        -122.7   133.1  Favored     ?     9  42.510     7  0.11    10  0.63  molprobity  1.000  
304  304  mm        -98.3   123.2  Favored     ?    11  43.950     8  0.17    11  0.46  molprobity  1.000  
305  305  m-85      -99.4   143.1  Favored     ?     9  46.620    12  0.33    16  0.34  molprobity  1.000  
306  306  p30      -147.8  -165.7  Favored     ?     6  50.160     8  0.25    11  0.19  molprobity  1.000  
307  307  pttp      -73.8    -7.0  Favored     ?    13  57.850     9  0.22    11  0.26  molprobity  1.000  
308  308  m-20      -93.7   -42.2  Favored     ?     4  62.680     8  0.14    11  0.28  molprobity  1.000  
309  309  p-10     -118.3    33.7  Favored     ?     6  61.470     8  0.24    11  0.39  molprobity  1.000  
310  310  tt        -85.8   -20.8  Favored     ?    11  48.110     8  0.17    11  0.32  molprobity  1.000  
311  311  m-20      -99.9    12.5  Favored     ?     4  55.220     8  0.14    11  0.27  molprobity  1.000  
312  312  tttm      -89.9   -30.0  Favored     ?    13  64.470     9  0.22    11  0.29  molprobity  1.000  
313  313  m-85     -105.2   127.7  Favored     ?     9  62.570    13  0.22    18  0.28  molprobity  1.000  
314  314  t0       -112.3   119.0  Favored     ?     4  68.480     8  0.16    11  0.25  molprobity  1.000  
315  315  m-30          ?       ?  ?           ?     9  63.650    12  0.30    13  0.19  molprobity  1.000  
316  316  ?             ?       ?  ?           ?     ?  38.730     9  4.91     5  0.98  mogul       1.000  
317  317  ?             ?       ?  ?           ?     ?  44.070     ?     ?     ?     ?  ?           1.000  
318  318  ?             ?       ?  ?           ?     ?  35.890     ?     ?     ?     ?  ?           1.000  
319  319  ?             ?       ?  ?           ?     ?  47.120     ?     ?     ?     ?  ?           1.000  
320  320  ?             ?       ?  ?           ?     ?  32.510     ?     ?     ?     ?  ?           1.000  
321  321  ?             ?       ?  ?           ?     ?  30.710     ?     ?     ?     ?  ?           1.000  
322  322  ?             ?       ?  ?           ?     ?  33.460     ?     ?     ?     ?  ?           1.000  
323  323  ?             ?       ?  ?           ?     ?  23.850     ?     ?     ?     ?  ?           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    3  NH2    1  0.42  2.49  
 2    4  HG12   2  0.45  1.99  
 3   10  HD13   3  0.53  1.90  
 4   13  HB     4  0.48  1.79  
 5   16  HD2    4  0.48  1.79  
 6   26  HB2    5  0.53  1.90  
 7   28  HE3    6  0.42  1.51  
 8   28  HB3    6  0.42  1.51  
 9   42  HD3    3  0.53  1.90  
10   57  O      1  0.42  2.49  
11   61  HB3    2  0.45  1.99  
12   63  HD13   7  0.41  2.03  
13   79  HB1    8  0.44  1.98  
14   84  HB     8  0.44  1.98  
15   89  O      9  0.45  2.50  
16   91  N      9  0.45  2.50  
17   92  HB2   10  0.46  2.51  
18  101  CZ    10  0.46  2.51  
19  101  HB3   11  0.44  2.00  
20  107  HB2   12  0.45  1.98  
21  121  HE22  13  0.83  1.41  
22  122  HG12  14  0.44  1.99  
23  124  HG2   14  0.44  1.99  
24  133  CE1   15  0.44  2.53  
25  134  O     16  0.44  2.18  
26  138  O     17  0.59  2.32  
27  141  NE2   18  0.74  2.19  
28  142  ND2   17  0.59  2.32  
29  145  HG21  15  0.44  2.53  
30  146  HE3   19  0.41  1.61  
31  146  HB2   19  0.41  1.61  
32  147  HG3   12  0.45  1.98  
33  166  HB3   16  0.44  2.18  
34  195  HB3   20  0.44  1.99  
35  198  HB3   20  0.44  1.99  
36  235  HB2   13  0.83  1.41  
37  235  O     21  0.71  2.07  
38  247  HG3    5  0.53  1.90  
39  250  HB3    7  0.41  2.03  
40  271  HB    22  0.46  1.95  
41  271  HG21  23  0.45  1.97  
42  274  HB    22  0.46  1.95  
43  274  HD12  23  0.45  1.97  
44  296  HG12  11  0.44  2.00  
45  308  OD2   24  0.80  1.98  
46  316  O4    18  0.74  2.19  
47  317  O     24  0.80  1.98  
48  318  O     21  0.71  2.07  
#
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  316  C1  C2  1.40  1.51    39  0.01  -9.00  0.09  
2  316  O5  C2  1.53  1.42   353  0.01   7.90  0.06  
3  316  O5  C5  1.30  1.42  1758  0.03  -4.51  0.00  
4  316  C5  C4  1.60  1.52    37  0.02   3.81  0.01  
5  316  O4  C4  1.47  1.43  4559  0.02   2.36  0.00  
6  316  C3  C4  1.28  1.53   106  0.05  -5.61  0.11  
#
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  0.875  0.253   0.858  
  2    2   9  0.838  0.218  -0.073  
  3    3  11  0.926  0.185  -0.436  
  4    4   8  0.966  0.206  -0.074  
  5    5   5  0.975  0.185   0.016  
  6    6  11  0.975  0.225   0.194  
  7    7   8  0.950  0.181  -0.380  
  8    8   7  0.960  0.164  -0.252  
  9    9   9  0.937  0.195  -0.488  
 10   10   8  0.963  0.192  -0.280  
 11   11   7  0.927  0.184  -0.235  
 12   12   4  0.924  0.138  -0.415  
 13   13   7  0.953  0.153  -0.616  
 14   14   4  0.959  0.116  -0.672  
 15   15  11  0.968  0.160  -0.584  
 16   16  11  0.952  0.149  -0.716  
 17   17   7  0.937  0.205   0.290  
 18   18   6  0.959  0.175  -0.035  
 19   19   4  0.973  0.147  -0.309  
 20   20   4  0.966  0.102  -0.836  
 21   21   8  0.942  0.218   0.371  
 22   22   4  0.971  0.124  -0.578  
 23   23   5  0.968  0.127  -0.702  
 24   24   9  0.945  0.151  -0.716  
 25   25   9  0.898  0.220  -0.052  
 26   26   5  0.933  0.183  -0.009  
 27   27   4  0.963  0.120  -0.625  
 28   28   9  0.892  0.275   0.315  
 29   29   5  0.959  0.134  -0.615  
 30   30   8  0.974  0.211  -0.050  
 31   31   4  0.965  0.167  -0.075  
 32   32   8  0.952  0.202  -0.123  
 33   33   8  0.921  0.305   1.401  
 34   34   7  0.964  0.213   0.122  
 35   35   7  0.964  0.136  -0.649  
 36   36  12  0.970  0.214   0.203  
 37   37   8  0.967  0.125  -0.835  
 38   38   4  0.979  0.132  -0.485  
 39   39   7  0.978  0.107  -0.982  
 40   40   7  0.925  0.166  -0.241  
 41   41   9  0.910  0.230   0.058  
 42   42   7  0.967  0.177  -0.086  
 43   43   6  0.954  0.113  -0.862  
 44   44   7  0.940  0.225   0.269  
 45   45   6  0.947  0.145  -0.435  
 46   46   4  0.940  0.124  -0.578  
 47   47   9  0.970  0.163  -0.573  
 48   48   7  0.975  0.220   0.208  
 49   49   9  0.900  0.207  -0.049  
 50   50   8  0.956  0.190  -0.305  
 51   51   7  0.975  0.225   0.269  
 52   52   8  0.954  0.174  -0.208  
 53   53   8  0.934  0.186  -0.050  
 54   54  11  0.932  0.248   0.469  
 55   55   7  0.959  0.213   0.122  
 56   56   8  0.921  0.172  -0.234  
 57   57   9  0.948  0.189  -0.263  
 58   58   4  0.927  0.119  -0.637  
 59   59  12  0.964  0.166  -0.425  
 60   60   8  0.935  0.138  -0.673  
 61   61   5  0.988  0.215   0.387  
 62   62   8  0.966  0.223   0.135  
 63   63   8  0.971  0.188  -0.294  
 64   64   7  0.966  0.162  -0.506  
 65   65   6  0.972  0.118  -0.796  
 66   66   5  0.985  0.155  -0.355  
 67   67   7  0.938  0.153  -0.616  
 68   68   6  0.943  0.128  -0.662  
 69   69   7  0.975  0.178  -0.073  
 70   70   8  0.933  0.162  -0.375  
 71   71   4  0.963  0.128  -0.532  
 72   72   8  0.959  0.201  -0.171  
 73   73   6  0.945  0.129  -0.479  
 74   74   7  0.953  0.162  -0.278  
 75   75   5  0.970  0.125  -0.726  
 76   76   8  0.974  0.124  -1.106  
 77   77   9  0.932  0.181  -0.629  
 78   78   8  0.946  0.168  -0.616  
 79   79   5  0.963  0.140  -0.541  
 80   80   8  0.939  0.153  -0.478  
 81   81   9  0.935  0.162  -0.585  
 82   82  11  0.928  0.220  -0.065  
 83   83   4  0.934  0.155  -0.215  
 84   84   7  0.962  0.192  -0.137  
 85   85   9  0.919  0.206  -0.378  
 86   86   8  0.965  0.161  -0.625  
 87   87   8  0.969  0.260   0.545  
 88   88   7  0.977  0.106  -1.057  
 89   89  14  0.980  0.157  -0.515  
 90   90   8  0.959  0.147  -0.561  
 91   91   6  0.970  0.152  -0.342  
 92   92   8  0.974  0.148  -0.549  
 93   93   7  0.978  0.178  -0.078  
 94   94   9  0.961  0.187  -0.568  
 95   95   7  0.958  0.173  -0.137  
 96   96   9  0.957  0.166  -0.644  
 97   97   6  0.962  0.115  -0.700  
 98   98  11  0.971  0.130  -1.019  
 99   99   6  0.934  0.178   0.005  
100  100  12  0.954  0.184  -0.190  
101  101  12  0.954  0.194  -0.059  
102  102   8  0.966  0.170  -0.515  
103  103   8  0.956  0.179  -0.142  
104  104   9  0.971  0.111  -1.193  
105  105   4  0.978  0.143  -0.356  
106  106   7  0.971  0.166  -0.241  
107  107   7  0.972  0.158  -0.329  
108  108   8  0.941  0.185  -0.588  
109  109   9  0.962  0.135  -0.907  
110  110   8  0.964  0.183  -0.390  
111  111   4  0.970  0.099  -0.871  
112  112   6  0.942  0.215   0.499  
113  113   8  0.958  0.154  -0.466  
114  114   8  0.977  0.156  -0.717  
115  115   7  0.966  0.234   0.380  
116  116   9  0.930  0.139  -0.940  
117  117   8  0.971  0.180  -0.137  
118  118   5  0.986  0.149  -0.429  
119  119   5  0.934  0.199   0.189  
120  120  10  0.902  0.193   0.039  
121  121   9  0.951  0.179  -0.383  
122  122   7  0.951  0.208   0.060  
123  123   8  0.859  0.206   0.171  
124  124   9  0.905  0.173  -0.709  
125  125   9  0.895  0.175  -0.545  
126  126   9  0.891  0.257   0.135  
127  127   5  0.960  0.142  -0.516  
128  128   9  0.955  0.163  -0.809  
129  129   7  0.939  0.273   0.860  
130  130   5  0.948  0.158  -0.318  
131  131  11  0.967  0.211   0.026  
132  132  11  0.957  0.227   0.218  
133  133  12  0.958  0.136  -0.817  
134  134   6  0.930  0.162  -0.208  
135  135   6  0.948  0.193   0.206  
136  136   7  0.969  0.147  -0.470  
137  137   7  0.958  0.128  -0.758  
138  138   7  0.971  0.133  -0.862  
139  139   7  0.944  0.170  -0.186  
140  140   8  0.963  0.167  -0.313  
141  141   9  0.957  0.197  -0.168  
142  142   8  0.966  0.148  -0.549  
143  143   9  0.966  0.139  -0.859  
144  144  14  0.978  0.126  -0.950  
145  145   7  0.980  0.205   0.023  
146  146   9  0.939  0.158  -0.859  
147  147   9  0.904  0.216  -0.095  
148  148   5  0.969  0.178  -0.071  
149  149   9  0.963  0.188  -0.558  
150  150   5  0.966  0.144  -0.491  
151  151   9  0.947  0.186  -0.578  
152  152   8  0.947  0.180  -0.392  
153  153   6  0.965  0.131  -0.622  
154  154   9  0.899  0.231   0.237  
155  155   9  0.908  0.159  -0.720  
156  156  10  0.959  0.131  -0.770  
157  157   7  0.935  0.144  -0.508  
158  158   4  0.966  0.123  -0.590  
159  159  14  0.942  0.185  -0.123  
160  160   9  0.915  0.195  -0.326  
161  161   8  0.963  0.185  -0.331  
162  162   7  0.958  0.200  -0.038  
163  163   7  0.956  0.114  -0.948  
164  164   7  0.973  0.221   0.507  
165  165   9  0.939  0.187  -0.287  
166  166  11  0.945  0.159  -0.596  
167  167   4  0.945  0.148  -0.297  
168  168  12  0.960  0.146  -0.686  
169  169   8  0.965  0.134  -0.733  
170  170   8  0.953  0.144  -0.599  
171  171   5  0.950  0.124  -0.739  
172  172   7  0.952  0.139  -0.608  
173  173   9  0.930  0.194  -0.498  
174  174   6  0.956  0.142  -0.475  
175  175   8  0.922  0.174  -0.499  
176  176   9  0.927  0.271   0.714  
177  177   7  0.961  0.172  -0.159  
178  178   5  0.967  0.133  -0.627  
179  179   9  0.945  0.163  -0.677  
180  180   4  0.957  0.107  -0.778  
181  181   8  0.956  0.216   0.049  
182  182   8  0.935  0.217   0.061  
183  183   9  0.961  0.141  -1.030  
184  184   5  0.950  0.170  -0.170  
185  185  12  0.951  0.213   0.190  
186  186   7  0.924  0.155  -0.367  
187  187   8  0.872  0.238   0.569  
188  188   8  0.970  0.265   0.606  
189  189   8  0.931  0.207   0.184  
190  190   5  0.979  0.188   0.053  
191  191   8  0.968  0.230   0.221  
192  192   8  0.979  0.188  -0.294  
193  193   5  0.975  0.146  -0.467  
194  194   7  0.977  0.168  -0.201  
195  195   8  0.972  0.146  -0.574  
196  196   5  0.938  0.213   0.363  
197  197   8  0.936  0.186  -0.050  
198  198   5  0.972  0.157  -0.330  
199  199   8  0.975  0.177  -0.462  
200  200   7  0.958  0.123  -0.777  
201  201   5  0.979  0.162  -0.269  
202  202   5  0.979  0.261   0.957  
203  203   5  0.970  0.159  -0.306  
204  204   9  0.964  0.193  -0.216  
205  205   5  0.970  0.220   0.449  
206  206   5  0.947  0.220   0.449  
207  207   9  0.940  0.157  -0.742  
208  208   8  0.945  0.181  -0.116  
209  209   8  0.944  0.218   0.035  
210  210   9  0.892  0.319   0.757  
211  211  11  0.867  0.277   0.540  
212  212   8  0.904  0.208   0.239  
213  213   8  0.829  0.341   1.987  
214  214   8  0.927  0.271   0.678  
215  215   5  0.975  0.156  -0.343  
216  216   8  0.951  0.256   0.539  
217  217   7  0.971  0.203  -0.001  
218  218   4  0.977  0.133  -0.473  
219  219  11  0.968  0.196  -0.153  
220  220   6  0.950  0.204   0.352  
221  221   7  0.950  0.128  -0.758  
222  222   7  0.974  0.161  -0.291  
223  223   8  0.929  0.143  -0.615  
224  224   7  0.969  0.155  -0.592  
225  225   8  0.975  0.127  -0.808  
226  226  11  0.940  0.191  -0.372  
227  227   7  0.961  0.158  -0.329  
228  228  12  0.970  0.152  -0.608  
229  229   7  0.931  0.195  -0.100  
230  230   9  0.925  0.225   0.166  
231  231  11  0.944  0.206  -0.213  
232  232   4  0.948  0.188   0.171  
233  233   7  0.955  0.187   0.045  
234  234   7  0.961  0.250   0.577  
235  235   9  0.921  0.256   0.124  
236  236   9  0.938  0.230   0.058  
237  237  11  0.946  0.224   0.182  
238  238   4  0.930  0.137  -0.426  
239  239   8  0.946  0.195  -0.244  
240  240  14  0.964  0.168  -0.361  
241  241   8  0.938  0.175  -0.214  
242  242   7  0.980  0.192  -0.137  
243  243   7  0.967  0.215   0.146  
244  244   9  0.907  0.214   0.035  
245  245   9  0.982  0.141  -0.836  
246  246   4  0.906  0.167  -0.075  
247  247   9  0.931  0.237  -0.066  
248  248   8  0.969  0.202  -0.123  
249  249   8  0.979  0.226   0.646  
250  250   8  0.979  0.226   0.646  
251  251   7  0.963  0.213   0.122  
252  252  12  0.942  0.197  -0.020  
253  253   7  0.963  0.291   1.081  
254  254   5  0.946  0.190   0.078  
255  255   8  0.930  0.200   0.134  
256  256   5  0.957  0.194   0.127  
257  257   8  0.963  0.245   0.363  
258  258   8  0.939  0.201  -0.171  
259  259   9  0.873  0.303   0.596  
260  260   8  0.823  0.249   0.778  
261  261   8  0.808  0.212   0.268  
262  262   7  0.927  0.269   1.092  
263  263   8  0.944  0.309   1.496  
264  264   8  0.946  0.175  -0.194  
265  265   7  0.966  0.178  -0.309  
266  266   4  0.949  0.123  -0.590  
267  267   8  0.953  0.184  -0.102  
268  268   6  0.938  0.167  -0.142  
269  269   8  0.936  0.259   0.533  
270  270   8  0.886  0.181  -0.139  
271  271   8  0.952  0.173  -0.478  
272  272   7  0.931  0.164  -0.252  
273  273   4  0.955  0.187   0.159  
274  274   8  0.961  0.227   0.184  
275  275   4  0.924  0.135  -0.450  
276  276   9  0.891  0.231  -0.127  
277  277   7  0.968  0.182  -0.260  
278  278   7  0.970  0.152  -0.431  
279  279   7  0.954  0.182  -0.260  
280  280   6  0.976  0.148  -0.395  
281  281   7  0.989  0.097  -1.110  
282  282   8  0.975  0.130  -0.786  
283  283   6  0.955  0.154  -0.315  
284  284   9  0.970  0.134  -0.995  
285  285   9  0.976  0.137  -0.883  
286  286   4  0.982  0.184   0.124  
287  287  12  0.934  0.181  -0.229  
288  288  10  0.962  0.185  -0.065  
289  289  12  0.957  0.193  -0.072  
290  290   9  0.948  0.143  -0.896  
291  291   5  0.964  0.185   0.016  
292  292   9  0.906  0.209  -0.347  
293  293   4  0.946  0.134  -0.461  
294  294   8  0.938  0.128  -0.812  
295  295   4  0.980  0.139  -0.403  
296  296   8  0.975  0.193  -0.233  
297  297   7  0.956  0.155  -0.592  
298  298   8  0.939  0.237   0.266  
299  299   8  0.943  0.207  -0.098  
300  300   7  0.932  0.173  -0.137  
301  301   9  0.893  0.211  -0.150  
302  302  11  0.948  0.161  -0.690  
303  303   7  0.956  0.213   0.122  
304  304   8  0.962  0.230   0.221  
305  305  11  0.965  0.171  -0.453  
306  306   8  0.956  0.118  -0.943  
307  307   9  0.910  0.265   0.215  
308  308   8  0.864  0.203   0.134  
309  309   8  0.900  0.214   0.318  
310  310   8  0.915  0.194  -0.221  
311  311   8  0.872  0.286   1.165  
312  312   9  0.915  0.169  -0.749  
313  313  12  0.874  0.279   1.052  
314  314   8  0.908  0.136  -0.698  
315  315  12  0.888  0.218   0.110  
316  316  10  0.971  0.174       ?  
317  317   1  0.594  0.321       ?  
318  318   1  0.818  0.388       ?  
319  319   1  0.754  0.300       ?  
320  320   1  0.848  0.226       ?  
321  321   1  0.934  0.249       ?  
322  322   1  0.946  0.170       ?  
323  323   1  0.929  0.155       ?  
#
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                                                                  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  
##
