data_6PJ8

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  6PJ8
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    6PJ8
_pdbx_vrpt_summary.PDB_deposition_date         2019-06-28
_pdbx_vrpt_summary.PDB_revision_number         5
_pdbx_vrpt_summary.PDB_revision_date           2023-10-11
_pdbx_vrpt_summary.report_creation_date        2023-10-03:18:41
_pdbx_vrpt_summary.attempted_validation_steps  molprobity,validation-pack,xtriage,eds,percentiles,writexml,writecif,writepdf
_pdbx_vrpt_summary.ligands_for_buster_report   N
#
loop_
_pdbx_vrpt_entity.id
_pdbx_vrpt_entity.type
_pdbx_vrpt_entity.description
1  polymer  "Rhomboid protease GlpG"  
2  polymer  "Peptide aldehyde inhibitor"  
3  water    water  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  2  
C  3  
D  3  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all  x-ray  
2  2.4  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  20.06  141614     ?     ?  
 2  2  1  29.92    4398  2.40  2.40  
 3  1  2  28.63  138981     ?     ?  
 4  2  2  41.36    4318  2.40  2.40  
 5  1  3  83.60  138945     ?     ?  
 6  2  3  92.41    4319  2.40  2.40  
 7  1  4  61.66  127900     ?     ?  
 8  2  4  59.64    3811  2.40  2.40  
 9  1  5  27.11  130704     ?     ?  
10  2  5  40.59    3907  2.40  2.40  
#
loop_
_pdbx_vrpt_percentile_entity_view.ordinal
_pdbx_vrpt_percentile_entity_view.conditions_id
_pdbx_vrpt_percentile_entity_view.type_id
_pdbx_vrpt_percentile_entity_view.label_asym_id
_pdbx_vrpt_percentile_entity_view.PDB_model_num
_pdbx_vrpt_percentile_entity_view.entity_id
_pdbx_vrpt_percentile_entity_view.auth_asym_id
_pdbx_vrpt_percentile_entity_view.rank
 1  3  2  A  1  1  A   24.89  
 2  4  2  A  1  1  A   36.06  
 3  5  3  A  1  1  A   83.60  
 4  6  3  A  1  1  A   92.41  
 5  7  4  A  1  1  A   69.81  
 6  8  4  A  1  1  A   67.80  
 7  3  2  B  1  2  B  100.00  
 8  4  2  B  1  2  B  100.00  
 9  5  3  B  1  2  B  100.00  
10  6  3  B  1  2  B  100.00  
11  7  4  B  1  2  B    0.61  
12  8  4  B  1  2  B    0.42  
#
loop_
_pdbx_vrpt_summary_entity_geometry.ordinal
_pdbx_vrpt_summary_entity_geometry.PDB_model_num
_pdbx_vrpt_summary_entity_geometry.entity_id
_pdbx_vrpt_summary_entity_geometry.label_asym_id
_pdbx_vrpt_summary_entity_geometry.auth_asym_id
_pdbx_vrpt_summary_entity_geometry.angles_RMSZ
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ
1  1  1  A  A  0.76  0.68  1490  2027  
2  1  2  B  B  0.90  0.45    33    42  
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  0.55
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       0.68
_pdbx_vrpt_summary_geometry.clashscore                     12.50
_pdbx_vrpt_summary_geometry.num_H_reduce                   1485
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 1523
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.67
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                2069
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.76
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.Babinet_b                 163.101
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            66.988
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         28.271
_pdbx_vrpt_summary_diffraction.I_over_sigma              2.25(2.29A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        9903
_pdbx_vrpt_summary_diffraction.Babinet_k                 0.125
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.360
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.433
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.261
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.912
_pdbx_vrpt_summary_diffraction.DCC_R                     0.23
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.26
_pdbx_vrpt_summary_diffraction.EDS_R                     0.24
_pdbx_vrpt_summary_diffraction.EDS_res_high              2.30
_pdbx_vrpt_summary_diffraction.EDS_res_low               48.98
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[40.877,33.541,14.514,0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.889
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 6.48% 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         2
_pdbx_vrpt_summary_diffraction.centric_outliers          1
_pdbx_vrpt_summary_diffraction.data_completeness         99.51
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      498
_pdbx_vrpt_summary_diffraction.percent_free_reflections  5.03
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     2.15
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       2.40
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        50.01
_pdbx_vrpt_summary_diffraction.PDB_R                     0.24
_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
  1  1  1  A   27  ARG  A   92  .  ?        3  
  2  1  1  A   28  ALA  A   93  .  ?        ?  
  3  1  1  A   29  GLY  A   94  .  ?        ?  
  4  1  1  A   30  PRO  A   95  .  ?        1  
  5  1  1  A   31  VAL  A   96  .  ?        ?  
  6  1  1  A   32  THR  A   97  .  ?        ?  
  7  1  1  A   33  TRP  A   98  .  ?        ?  
  8  1  1  A   34  VAL  A   99  .  ?        1  
  9  1  1  A   35  MET  A  100  .  ?        3  
 10  1  1  A   36  MET  A  101  .  ?        ?  
 11  1  1  A   37  ILE  A  102  .  ?        ?  
 12  1  1  A   38  ALA  A  103  .  ?        ?  
 13  1  1  A   39  CYS  A  104  .  ?        ?  
 14  1  1  A   40  VAL  A  105  .  ?        ?  
 15  1  1  A   41  VAL  A  106  .  ?        ?  
 16  1  1  A   42  VAL  A  107  .  ?        ?  
 17  1  1  A   43  PHE  A  108  .  ?        ?  
 18  1  1  A   44  ILE  A  109  .  ?        1  
 19  1  1  A   45  ALA  A  110  .  ?        ?  
 20  1  1  A   46  MET  A  111  .  ?        ?  
 21  1  1  A   47  GLN  A  112  .  ?        ?  
 22  1  1  A   48  ILE  A  113  .  ?        1  
 23  1  1  A   49  LEU  A  114  .  ?        ?  
 24  1  1  A   50  GLY  A  115  .  ?        ?  
 25  1  1  A   51  ASP  A  116  .  ?        ?  
 26  1  1  A   52  GLN  A  117  .  ?        ?  
 27  1  1  A   53  GLU  A  118  .  ?        ?  
 28  1  1  A   54  VAL  A  119  .  ?        ?  
 29  1  1  A   55  MET  A  120  .  ?        ?  
 30  1  1  A   56  LEU  A  121  .  ?        ?  
 31  1  1  A   57  TRP  A  122  .  ?        ?  
 32  1  1  A   58  LEU  A  123  .  ?        ?  
 33  1  1  A   59  ALA  A  124  .  ?        ?  
 34  1  1  A   60  TRP  A  125  .  ?        1  
 35  1  1  A   61  PRO  A  126  .  ?        ?  
 36  1  1  A   62  PHE  A  127  .  ?        ?  
 37  1  1  A   63  ASP  A  128  .  ?        ?  
 38  1  1  A   64  PRO  A  129  .  ?        ?  
 39  1  1  A   65  THR  A  130  .  ?        ?  
 40  1  1  A   66  LEU  A  131  .  ?        ?  
 41  1  1  A   67  LYS  A  132  .  ?        ?  
 42  1  1  A   68  PHE  A  133  .  ?        ?  
 43  1  1  A   69  GLU  A  134  .  ?        ?  
 44  1  1  A   70  PHE  A  135  .  ?        ?  
 45  1  1  A   71  TRP  A  136  .  ?        1  
 46  1  1  A   72  ARG  A  137  .  ?        ?  
 47  1  1  A   73  TYR  A  138  .  ?        ?  
 48  1  1  A   74  PHE  A  139  .  ?        ?  
 49  1  1  A   75  THR  A  140  .  ?        1  
 50  1  1  A   76  HIS  A  141  .  ?        ?  
 51  1  1  A   77  ALA  A  142  .  ?        ?  
 52  1  1  A   78  LEU  A  143  .  ?        ?  
 53  1  1  A   79  MET  A  144  .  ?        ?  
 54  1  1  A   80  HIS  A  145  .  ?        ?  
 55  1  1  A   81  PHE  A  146  .  ?        ?  
 56  1  1  A   82  SER  A  147  .  ?        ?  
 57  1  1  A   83  LEU  A  148  .  ?        ?  
 58  1  1  A   84  MET  A  149  .  ?        ?  
 59  1  1  A   85  HIS  A  150  .  ?        ?  
 60  1  1  A   86  ILE  A  151  .  ?        ?  
 61  1  1  A   87  LEU  A  152  .  ?        ?  
 62  1  1  A   88  PHE  A  153  .  ?        1  
 63  1  1  A   89  ASN  A  154  .  ?        2  
 64  1  1  A   90  LEU  A  155  .  ?        ?  
 65  1  1  A   91  LEU  A  156  .  ?        ?  
 66  1  1  A   92  TRP  A  157  .  ?        ?  
 67  1  1  A   93  TRP  A  158  .  ?        ?  
 68  1  1  A   94  TRP  A  159  .  ?        ?  
 69  1  1  A   95  TYR  A  160  .  ?        1  
 70  1  1  A   96  LEU  A  161  .  ?        1  
 71  1  1  A   97  GLY  A  162  .  ?        ?  
 72  1  1  A   98  GLY  A  163  .  ?        ?  
 73  1  1  A   99  ALA  A  164  .  ?        1  
 74  1  1  A  100  VAL  A  165  .  ?        ?  
 75  1  1  A  101  GLU  A  166  .  ?        ?  
 76  1  1  A  102  LYS  A  167  .  ?        ?  
 77  1  1  A  103  ARG  A  168  .  ?        ?  
 78  1  1  A  104  LEU  A  169  .  ?        ?  
 79  1  1  A  105  GLY  A  170  .  ?        ?  
 80  1  1  A  106  SER  A  171  .  ?        ?  
 81  1  1  A  107  GLY  A  172  .  ?        ?  
 82  1  1  A  108  LYS  A  173  .  ?        ?  
 83  1  1  A  109  LEU  A  174  .  ?        ?  
 84  1  1  A  110  ILE  A  175  .  ?        ?  
 85  1  1  A  111  VAL  A  176  .  ?        ?  
 86  1  1  A  112  ILE  A  177  .  ?        ?  
 87  1  1  A  113  THR  A  178  .  ?        ?  
 88  1  1  A  114  LEU  A  179  .  ?        ?  
 89  1  1  A  115  ILE  A  180  .  ?        ?  
 90  1  1  A  116  SER  A  181  .  ?        ?  
 91  1  1  A  117  ALA  A  182  .  ?        ?  
 92  1  1  A  118  LEU  A  183  .  ?        ?  
 93  1  1  A  119  LEU  A  184  .  ?        1  
 94  1  1  A  120  SER  A  185  .  ?        ?  
 95  1  1  A  121  GLY  A  186  .  ?        ?  
 96  1  1  A  122  TYR  A  187  .  ?        ?  
 97  1  1  A  123  VAL  A  188  .  ?        ?  
 98  1  1  A  124  GLN  A  189  .  ?        ?  
 99  1  1  A  125  GLN  A  190  .  ?        3  
100  1  1  A  126  LYS  A  191  .  ?        ?  
101  1  1  A  127  PHE  A  192  .  ?        ?  
102  1  1  A  128  SER  A  193  .  ?        ?  
103  1  1  A  129  GLY  A  194  .  ?        1  
104  1  1  A  130  PRO  A  195  .  ?        ?  
105  1  1  A  131  TRP  A  196  .  ?        ?  
106  1  1  A  132  PHE  A  197  .  ?        ?  
107  1  1  A  133  GLY  A  198  .  ?        ?  
108  1  1  A  134  GLY  A  199  .  ?        ?  
109  1  1  A  135  LEU  A  200  .  ?        5  
110  1  1  A  136  SER  A  201  .  ?        5  
111  1  1  A  137  GLY  A  202  .  ?        ?  
112  1  1  A  138  VAL  A  203  .  ?        ?  
113  1  1  A  139  VAL  A  204  .  ?        1  
114  1  1  A  140  PHE  A  205  .  ?        1  
115  1  1  A  141  ALA  A  206  .  ?        ?  
116  1  1  A  142  LEU  A  207  .  ?        ?  
117  1  1  A  143  MET  A  208  .  ?        2  
118  1  1  A  144  GLY  A  209  .  ?        ?  
119  1  1  A  145  TYR  A  210  .  ?        ?  
120  1  1  A  146  VAL  A  211  .  ?        ?  
121  1  1  A  147  TRP  A  212  .  ?        ?  
122  1  1  A  148  LEU  A  213  .  ?        ?  
123  1  1  A  149  ARG  A  214  .  ?        ?  
124  1  1  A  150  GLY  A  215  .  ?        ?  
125  1  1  A  151  GLU  A  216  .  ?        ?  
126  1  1  A  152  ARG  A  217  .  ?        1  
127  1  1  A  153  ASP  A  218  .  ?        ?  
128  1  1  A  154  PRO  A  219  .  ?        ?  
129  1  1  A  155  GLN  A  220  .  ?        ?  
130  1  1  A  156  SER  A  221  .  ?        ?  
131  1  1  A  157  GLY  A  222  .  ?        ?  
132  1  1  A  158  ILE  A  223  .  ?        ?  
133  1  1  A  159  TYR  A  224  .  ?        ?  
134  1  1  A  160  LEU  A  225  .  ?        ?  
135  1  1  A  161  GLN  A  226  .  ?        ?  
136  1  1  A  162  ARG  A  227  .  ?        2  
137  1  1  A  163  GLY  A  228  .  ?        ?  
138  1  1  A  164  LEU  A  229  .  ?        ?  
139  1  1  A  165  ILE  A  230  .  ?        2  
140  1  1  A  166  ILE  A  231  .  ?        3  
141  1  1  A  167  PHE  A  232  .  ?        6  
142  1  1  A  168  ALA  A  233  .  ?        1  
143  1  1  A  169  LEU  A  234  .  ?        2  
144  1  1  A  170  ILE  A  235  .  ?        1  
145  1  1  A  171  TRP  A  236  .  ?        ?  
146  1  1  A  172  ILE  A  237  .  ?        2  
147  1  1  A  173  VAL  A  238  .  ?        1  
148  1  1  A  174  ALA  A  239  .  ?        1  
149  1  1  A  175  GLY  A  240  .  ?        ?  
150  1  1  A  176  TRP  A  241  .  ?        1  
151  1  1  A  177  PHE  A  242  .  ?        ?  
152  1  1  A  178  ASP  A  243  .  ?        ?  
153  1  1  A  179  LEU  A  244  .  ?        1  
154  1  1  A  180  PHE  A  245  .  ?        ?  
155  1  1  A  181  GLY  A  246  .  ?        ?  
156  1  1  A  182  MET  A  247  .  ?        ?  
157  1  1  A  183  SER  A  248  .  ?        ?  
158  1  1  A  184  MET  A  249  .  ?        ?  
159  1  1  A  185  ALA  A  250  .  ?        ?  
160  1  1  A  186  ASN  A  251  .  ?        ?  
161  1  1  A  187  GLY  A  252  .  ?        ?  
162  1  1  A  188  ALA  A  253  .  ?        ?  
163  1  1  A  189  HIS  A  254  .  ?        ?  
164  1  1  A  190  ILE  A  255  .  ?        2  
165  1  1  A  191  ALA  A  256  .  ?        1  
166  1  1  A  192  GLY  A  257  .  ?        ?  
167  1  1  A  193  LEU  A  258  .  ?        ?  
168  1  1  A  194  ALA  A  259  .  ?        ?  
169  1  1  A  195  VAL  A  260  .  ?        2  
170  1  1  A  196  GLY  A  261  .  ?        ?  
171  1  1  A  197  LEU  A  262  .  ?        ?  
172  1  1  A  198  ALA  A  263  .  ?        ?  
173  1  1  A  199  MET  A  264  .  ?        ?  
174  1  1  A  200  ALA  A  265  .  ?        ?  
175  1  1  A  201  PHE  A  266  .  ?        ?  
176  1  1  A  202  VAL  A  267  .  ?        ?  
177  1  1  A  203  ASP  A  268  .  ?        ?  
178  1  1  A  204  SER  A  269  .  ?        1  
179  1  1  A  205  LEU  A  270  .  ?        ?  
180  1  1  A  206  ASN  A  271  .  ?        ?  
181  1  1  A  207  ALA  A  272  .  ?        ?  
182  1  2  B    1  ALA  B  496  .  ?        ?  
183  1  2  B    2  VAL  B  497  .  ?        ?  
184  1  2  B    3  ARG  B  498  .  ?        ?  
185  1  2  B    4  MET  B  499  .  ?        ?  
186  1  2  B    5  ALA  B  500  .  ?        4  
187  1  3  C    .  HOH  A  301  .  ?        ?  
188  1  3  C    .  HOH  A  302  .  ?        ?  
189  1  3  C    .  HOH  A  303  .  ?        1  
190  1  3  C    .  HOH  A  304  .  ?        1  
191  1  3  C    .  HOH  A  305  .  ?        ?  
192  1  3  C    .  HOH  A  306  .  ?        ?  
193  1  3  C    .  HOH  A  307  .  ?        ?  
194  1  3  C    .  HOH  A  308  .  ?        ?  
195  1  3  C    .  HOH  A  309  .  ?        ?  
196  1  3  C    .  HOH  A  310  .  ?        ?  
197  1  3  C    .  HOH  A  311  .  ?        ?  
198  1  3  C    .  HOH  A  312  .  ?        ?  
199  1  3  C    .  HOH  A  313  .  ?        ?  
200  1  3  C    .  HOH  A  314  .  ?        ?  
201  1  3  C    .  HOH  A  315  .  ?        ?  
202  1  3  C    .  HOH  A  316  .  ?        ?  
203  1  3  C    .  HOH  A  317  .  ?        ?  
204  1  3  C    .  HOH  A  318  .  ?        ?  
205  1  3  C    .  HOH  A  319  .  ?        ?  
206  1  3  C    .  HOH  A  320  .  ?        ?  
207  1  3  C    .  HOH  A  321  .  ?        ?  
208  1  3  C    .  HOH  A  322  .  ?        ?  
209  1  3  C    .  HOH  A  323  .  ?        ?  
210  1  3  C    .  HOH  A  324  .  ?        ?  
211  1  3  C    .  HOH  A  325  .  ?        ?  
212  1  3  C    .  HOH  A  326  .  ?        ?  
213  1  3  C    .  HOH  A  327  .  ?        ?  
214  1  3  C    .  HOH  A  328  .  ?        ?  
215  1  3  D    .  HOH  B  601  .  ?        ?  
#
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  mmt180        ?       ?  ?          12  71.780    11  0.70    14  0.54  molprobity  1.000  
  2    2  ?         -80.7    36.1  Allowed     5  52.430     5  0.46     7  0.88  molprobity  1.000  
  3    3  ?         -84.3   145.2  Favored     3  31.970     4  0.61     6  0.75  molprobity  1.000  
  4    4  Cg_endo   -59.5   -52.4  Favored     7  25.700     8  0.47    11  0.38  molprobity  1.000  
  5    5  t         -61.5   -40.6  Favored     9  26.670     7  0.42    10  0.37  molprobity  1.000  
  6    6  m         -50.0   -55.4  Favored     7  25.330     7  0.60    10  0.58  molprobity  1.000  
  7    7  m95       -72.5   -41.4  Favored    10  29.110    16  0.69    23  0.51  molprobity  1.000  
  8    8  t         -55.1   -35.2  Favored     9  28.270     7  0.44    10  0.65  molprobity  1.000  
  9    9  tpt       -74.3   -47.6  Favored     9  40.080     8  0.42    10  0.34  molprobity  1.000  
 10   10  mtp       -56.8   -34.8  Favored     9  34.000     8  0.31    10  0.62  molprobity  1.000  
 11   11  mm        -70.8   -39.1  Favored    11  32.490     8  0.30    11  0.72  molprobity  1.000  
 12   12  ?         -68.8   -41.9  Favored     5  27.280     5  0.38     7  0.50  molprobity  1.000  
 13   13  m         -64.0   -27.2  Favored     5  32.630     6  0.40     8  0.72  molprobity  1.000  
 14   14  OUTLIER   -86.2   -39.1  Favored     9  30.570     7  0.60    10  0.87  molprobity  1.000  
 15   15  t         -55.6   -64.0  Allowed     9  29.480     7  0.35    10  0.56  molprobity  1.000  
 16   16  t         -48.1   -50.1  Favored     9  31.370     7  0.70    10  0.50  molprobity  1.000  
 17   17  t80       -57.1   -47.8  Favored     9  38.900    12  1.08    16  0.35  molprobity  1.000  
 18   18  mt        -59.4   -43.9  Favored    11  40.220     8  0.26    11  0.52  molprobity  1.000  
 19   19  ?         -54.9   -40.5  Favored     5  39.050     5  0.48     7  0.45  molprobity  1.000  
 20   20  mtp       -64.0   -30.2  Favored     9  37.900     8  0.36    10  0.69  molprobity  1.000  
 21   21  mm-40     -77.2   -36.0  Favored     8  56.010     9  0.50    12  0.46  molprobity  1.000  
 22   22  mm        -70.3   -65.9  Allowed    11  44.760     8  0.41    11  0.57  molprobity  1.000  
 23   23  mt        -71.3   -23.6  Favored    11  41.860     8  0.27    11  1.24  molprobity  1.000  
 24   24  ?          97.8   148.2  Favored     3  38.420     4  0.90     5  0.56  molprobity  1.000  
 25   25  m-20      -55.1   -49.6  Favored     4  37.560     8  0.63    11  0.68  molprobity  1.000  
 26   26  mt-30     -65.7   -39.1  Favored     8  50.490     9  0.52    12  0.38  molprobity  1.000  
 27   27  tp10      -68.0   -33.7  Favored     6  42.080     9  0.98    12  0.56  molprobity  1.000  
 28   28  t         -73.2   -37.8  Favored     9  29.320     7  0.55    10  0.44  molprobity  1.000  
 29   29  mtm       -59.8   -42.6  Favored     9  36.250     8  0.67    10  0.70  molprobity  1.000  
 30   30  mt        -55.9   -21.0  Favored    11  26.840     8  0.26    11  0.74  molprobity  1.000  
 31   31  m95      -106.8   -26.1  Favored    10  26.420    16  0.65    23  0.52  molprobity  1.000  
 32   32  mt       -108.5   -23.2  Favored    11  27.980     8  0.41    11  0.88  molprobity  1.000  
 33   33  ?         -59.6   159.3  Favored     5  28.750     5  0.68     7  1.01  molprobity  1.000  
 34   34  t-105     -55.4   142.5  Favored    10  29.600    16  1.21    24  0.46  molprobity  1.000  
 35   35  Cg_exo    -53.6   116.0  Favored     7  29.060     8  0.52    11  0.31  molprobity  1.000  
 36   36  p90       -82.3   -11.1  Favored     9  34.780    12  0.90    16  0.50  molprobity  1.000  
 37   37  t0       -137.0   122.5  Favored     4  36.690     8  0.74    12  1.02  molprobity  1.000  
 38   38  Cg_exo    -60.4   -17.6  Favored     7  34.130     8  0.38    11  0.35  molprobity  1.000  
 39   39  m         -57.8   -37.8  Favored     7  36.040     7  0.60    10  0.77  molprobity  1.000  
 40   40  mt        -82.2     4.5  Favored    11  39.710     8  0.41    11  1.01  molprobity  1.000  
 41   41  pttm      -68.7   -13.6  Favored    13  38.150     9  0.33    11  0.60  molprobity  1.000  
 42   42  m-85      -97.2    -1.6  Favored     9  38.340    12  0.78    16  0.46  molprobity  1.000  
 43   43  mt-10     -78.1    66.7  Favored     6  36.760     9  0.88    12  0.88  molprobity  1.000  
 44   44  m-85      -42.9   -31.5  Allowed     9  41.750    12  1.04    16  0.77  molprobity  1.000  
 45   45  p90       -61.7   -30.7  Favored    10  25.720    16  0.83    23  0.39  molprobity  1.000  
 46   46  mtt-85    -58.1   -26.7  Favored    13  26.360    11  0.86    14  1.09  molprobity  1.000  
 47   47  m-85      -69.0   -11.8  Favored     9  26.980    13  0.77    18  0.53  molprobity  1.000  
 48   48  m-85     -125.6   -30.0  Favored     9  33.030    12  0.99    16  0.43  molprobity  1.000  
 49   49  p         -76.9   -12.7  Favored     7  27.740     7  0.72    10  1.21  molprobity  1.000  
 50   50  p80       -60.7   -29.3  Favored     7  22.740    11  0.40    15  0.29  molprobity  1.000  
 51   51  ?         -63.5   -27.0  Favored     5  26.030     5  0.50     7  0.31  molprobity  1.000  
 52   52  mt        -78.9   -17.2  Favored    11  26.310     8  0.42    11  1.15  molprobity  1.000  
 53   53  mtm       -90.0   134.9  Favored     9  29.200     8  0.49    10  0.67  molprobity  1.000  
 54   54  m80      -135.6   151.5  Favored     7  28.220    11  0.36    15  0.34  molprobity  1.000  
 55   55  m-85     -117.7     9.9  Favored     9  36.550    12  0.72    16  0.57  molprobity  1.000  
 56   56  p        -167.3   150.9  Favored     5  43.190     6  0.44     8  0.45  molprobity  1.000  
 57   57  tp        -49.5   -40.0  Favored    11  49.530     8  0.40    11  0.43  molprobity  1.000  
 58   58  tpt       -65.0   -46.7  Favored     9  54.290     8  0.47    10  0.89  molprobity  1.000  
 59   59  t-160     -53.6   -53.9  Favored     7  30.540    11  0.30    15  0.34  molprobity  1.000  
 60   60  tt        -70.5   -44.7  Favored    11  38.340     8  0.47    11  0.45  molprobity  1.000  
 61   61  mp        -64.9   -40.0  Favored    11  43.530     8  0.24    11  0.46  molprobity  1.000  
 62   62  t80       -66.2   -38.3  Favored     9  48.380    12  1.15    16  0.41  molprobity  1.000  
 63   63  m-20      -71.8   -45.6  Favored     6  32.920     8  0.38    11  0.49  molprobity  1.000  
 64   64  mt        -65.6   -36.4  Favored    11  30.230     8  0.59    11  0.62  molprobity  1.000  
 65   65  tp        -53.4   -64.9  Allowed    11  38.130     8  0.53    11  0.96  molprobity  1.000  
 66   66  m95       -49.2   -48.2  Favored    10  38.780    16  0.79    23  0.32  molprobity  1.000  
 67   67  t-105     -58.7   -44.7  Favored    10  26.060    16  0.87    23  0.38  molprobity  1.000  
 68   68  t90       -63.3   -50.6  Favored    10  35.040    16  0.83    23  0.48  molprobity  1.000  
 69   69  t80       -60.6   -47.7  Favored     9  36.530    13  0.78    18  0.57  molprobity  1.000  
 70   70  mt        -87.6   -43.5  Favored    11  28.600     8  0.60    11  0.77  molprobity  1.000  
 71   71  ?         -60.7   -45.7  Favored     3  25.940     4  0.45     5  0.44  molprobity  1.000  
 72   72  ?         -48.5   -51.9  Favored     3  28.560     4  0.43     5  0.59  molprobity  1.000  
 73   73  ?         -59.3   -45.6  Favored     5  27.110     5  0.60     7  0.36  molprobity  1.000  
 74   74  t         -66.8   -41.1  Favored     9  28.330     7  0.33    10  0.51  molprobity  1.000  
 75   75  tt0       -63.4   -56.6  Favored     6  32.300     9  0.39    12  0.57  molprobity  1.000  
 76   76  ttmm      -49.5   -65.7  Allowed    13  44.440     9  0.51    11  0.70  molprobity  1.000  
 77   77  mmp_?     -69.2   -25.9  Favored    13  39.700    11  0.55    14  0.92  molprobity  1.000  
 78   78  mt       -132.2    -0.5  Favored    11  27.310     8  0.39    11  1.72  molprobity  1.000  
 79   79  ?          94.2   164.8  Favored     3  27.410     4  0.78     5  1.01  molprobity  1.000  
 80   80  m         -78.4   -33.1  Favored     5  26.330     6  0.70     8  0.28  molprobity  1.000  
 81   81  ?         -61.8   -51.7  Favored     3  31.820     4  0.74     5  0.13  molprobity  1.000  
 82   82  tppt?     -53.2   -41.5  Favored    13  31.680     9  0.55    11  0.52  molprobity  1.000  
 83   83  tp        -62.4   -51.5  Favored    11  25.100     8  0.36    11  0.48  molprobity  1.000  
 84   84  mt        -52.7   -50.3  Favored    11  30.520     8  0.33    11  0.65  molprobity  1.000  
 85   85  t         -57.7   -49.9  Favored     9  29.040     7  0.38    10  0.65  molprobity  1.000  
 86   86  mt        -54.9   -44.7  Favored    11  25.290     8  0.59    11  0.67  molprobity  1.000  
 87   87  m         -65.8   -44.1  Favored     7  28.270     7  0.38    10  0.40  molprobity  1.000  
 88   88  mt        -69.8   -43.2  Favored    11  29.190     8  0.54    11  0.51  molprobity  1.000  
 89   89  mt        -65.2   -46.8  Favored    11  30.370     8  0.51    11  0.81  molprobity  1.000  
 90   90  p         -74.0   -27.5  Favored     5  28.410     6  0.68     8  0.56  molprobity  1.000  
 91   91  ?         -73.2   -39.3  Favored     5  26.620     5  0.51     7  1.02  molprobity  1.000  
 92   92  tp        -67.1   -49.7  Favored    11  32.840     8  0.49    11  0.61  molprobity  1.000  
 93   93  mt        -73.7   -38.0  Favored    11  34.480     8  0.52    11  1.21  molprobity  1.000  
 94   94  p         -78.1   -24.9  Favored     5  31.750     6  0.68     8  0.73  molprobity  1.000  
 95   95  ?         -66.7   -51.8  Favored     3  29.730     4  0.69     5  1.70  molprobity  1.000  
 96   96  t80       -50.6   -46.7  Favored     9  35.030    13  1.03    18  0.79  molprobity  1.000  
 97   97  t         -75.7   -33.6  Favored     9  29.480     7  0.48    10  0.55  molprobity  1.000  
 98   98  tp60      -67.1   -37.9  Favored     8  27.170     9  0.76    12  0.54  molprobity  1.000  
 99   99  tm0?      -60.2   -39.8  Favored     8  30.380     9  0.47    12  0.42  molprobity  1.000  
100  100  mmtt      -65.6   -42.0  Favored    13  30.670     9  0.39    11  0.73  molprobity  1.000  
101  101  m-85      -64.8   -52.2  Favored     9  33.780    12  0.76    16  0.50  molprobity  1.000  
102  102  p        -139.7    18.6  Favored     5  41.330     6  0.50     8  0.99  molprobity  1.000  
103  103  ?          91.4  -170.3  Favored     3  33.330     4  0.48     6  0.48  molprobity  1.000  
104  104  Cg_endo   -91.1     2.5  Favored     7  31.900     8  0.51    11  0.85  molprobity  1.000  
105  105  m95      -101.5    89.2  Favored    10  30.690    16  0.98    23  0.78  molprobity  1.000  
106  106  p90      -161.1   172.9  Favored     9  22.290    12  0.73    16  0.50  molprobity  1.000  
107  107  ?         174.8   170.5  Favored     3  25.240     4  1.31     5  0.97  molprobity  1.000  
108  108  ?         122.5   159.3  Favored     3  30.520     4  0.49     5  1.24  molprobity  1.000  
109  109  tp        -90.9     6.8  Favored    11  26.820     8  0.45    11  0.54  molprobity  1.000  
110  110  p         -67.3   -30.6  Favored     5  27.060     6  1.57     8  0.99  molprobity  1.000  
111  111  ?         -57.9   -54.3  Favored     3  22.820     4  0.25     5  0.64  molprobity  1.000  
112  112  t         -60.4   -32.4  Favored     9  20.830     7  0.53    10  0.58  molprobity  1.000  
113  113  t         -71.4   -47.5  Favored     9  20.990     7  0.66    10  0.61  molprobity  1.000  
114  114  m-85      -61.7   -32.9  Favored     9  24.060    12  1.01    16  0.55  molprobity  1.000  
115  115  ?         -65.5   -35.7  Favored     5  22.600     5  0.35     7  0.67  molprobity  1.000  
116  116  mt        -72.2   -40.9  Favored    11  24.070     8  0.40    11  0.86  molprobity  1.000  
117  117  mtm       -56.4   -51.5  Favored     9  40.050     8  0.49    10  1.02  molprobity  1.000  
118  118  ?         -59.7   -44.6  Favored     3  28.760     4  0.40     5  0.70  molprobity  1.000  
119  119  t80       -65.8   -49.4  Favored     9  26.950    13  0.90    18  0.56  molprobity  1.000  
120  120  t         -66.2   -45.7  Favored     9  27.470     7  0.49    10  0.89  molprobity  1.000  
121  121  t90       -62.8   -54.8  Favored    10  41.810    16  0.63    23  0.55  molprobity  1.000  
122  122  tt        -62.4   -31.1  Favored    11  35.510     8  0.58    11  1.02  molprobity  1.000  
123  123  tpt180    -79.1   -40.5  Favored    13  35.780    11  0.51    14  0.87  molprobity  1.000  
124  124  ?         -65.8   -27.3  Favored     3  41.220     4  0.22     5  0.42  molprobity  1.000  
125  125  mm-40     -78.8   -46.0  Favored     6  51.200     9  0.49    12  0.53  molprobity  1.000  
126  126  mtp180    -91.5   -27.0  Favored    13  54.750    11  0.29    14  1.28  molprobity  1.000  
127  127  m-20     -128.9    65.1  Favored     4  58.200     8  0.60    12  0.41  molprobity  1.000  
128  128  Cg_exo    -49.5   -37.3  Favored     7  53.640     8  0.56    11  0.54  molprobity  1.000  
129  129  mt-30     -60.4   -10.7  Favored     8  58.270     9  0.27    12  0.72  molprobity  1.000  
130  130  p         -78.0    -7.2  Favored     5  48.320     6  0.54     8  0.40  molprobity  1.000  
131  131  ?          70.6    18.9  Favored     3  40.960     4  0.38     5  0.76  molprobity  1.000  
132  132  pt       -124.6   154.9  Favored    11  38.940     8  0.57    11  0.84  molprobity  1.000  
133  133  p90      -169.2   166.3  Favored     9  55.960    13  0.79    18  0.54  molprobity  1.000  
134  134  tp       -124.4   123.9  Favored    11  38.720     8  0.32    11  0.96  molprobity  1.000  
135  135  mm-40     -50.4   139.4  Favored     8  65.880     9  0.86    12  0.91  molprobity  1.000  
136  136  mmt180    -61.0   -25.7  Favored    13  86.940    11  1.08    14  1.82  molprobity  1.000  
137  137  ?         -56.9    -4.7  Allowed     3  79.670     4  1.47     5  1.00  molprobity  1.000  
138  138  mt       -123.0   -44.1  Favored    11  59.080     8  0.83    11  1.78  molprobity  1.000  
139  139  tp        -58.6   -22.1  Favored    11  57.260     8  1.11    11  2.15  molprobity  1.000  
140  140  tp        -65.8   -59.6  Favored    11  77.240     8  1.05    11  1.69  molprobity  1.000  
141  141  t80       -57.5   -47.0  Favored     9  69.970    12  1.14    16  1.78  molprobity  1.000  
142  142  ?         -41.4   -56.5  Favored     5  45.660     5  0.98     7  1.17  molprobity  1.000  
143  143  mt        -70.0   -28.4  Favored    11  50.510     8  0.88    11  2.16  molprobity  1.000  
144  144  mm        -69.4   -39.1  Favored    11  50.720     8  1.63    11  2.07  molprobity  1.000  
145  145  t90       -61.6   -47.6  Favored    10  44.120    16  0.98    23  0.51  molprobity  1.000  
146  146  tt        -64.8   -45.1  Favored    11  50.700     8  0.37    11  0.51  molprobity  1.000  
147  147  m         -73.5   -21.7  Favored     9  57.330     7  0.32    10  0.50  molprobity  1.000  
148  148  ?         -75.2   -27.2  Favored     5  52.900     5  0.27     7  0.25  molprobity  1.000  
149  149  ?         -70.7   -32.8  Favored     3  56.310     4  0.25     5  0.55  molprobity  1.000  
150  150  m0        -60.3   -33.1  Favored    10  66.410    16  0.57    23  0.24  molprobity  1.000  
151  151  m-85     -100.4    11.2  Favored     9  80.630    12  0.67    16  0.34  molprobity  1.000  
152  152  m-20       41.3    64.1  Allowed     4  77.850     8  0.27    11  0.71  molprobity  1.000  
153  153  tp        -42.3   101.8  OUTLIER    11  84.140     8  0.40    11  0.77  molprobity  1.000  
154  154  m-85       59.8    40.6  Favored     9  81.520    12  0.82    16  0.31  molprobity  1.000  
155  155  ?          83.8     1.1  Favored     3  74.000     4  0.89     5  0.75  molprobity  1.000  
156  156  mtp       -76.4   101.8  Favored     9  70.260     8  0.47    10  0.63  molprobity  1.000  
157  157  p         -75.3    98.2  Favored     5  48.900     6  0.46     8  0.54  molprobity  1.000  
158  158  mtt       -96.3   144.2  Favored     9  47.700     8  0.37    10  0.68  molprobity  1.000  
159  159  ?         -75.8    82.7  Favored     5  38.840     5  0.82     7  0.69  molprobity  1.000  
160  160  m-20      -61.9   -30.3  Favored     6  45.410     8  0.63    11  0.68  molprobity  1.000  
161  161  ?         -73.5   -38.5  Favored     3  31.860     4  0.22     5  0.87  molprobity  1.000  
162  162  ?         -61.3   -45.6  Favored     5  26.720     5  0.51     7  0.56  molprobity  1.000  
163  163  m170      -62.1   -56.1  Favored     7  32.300    11  0.23    15  0.33  molprobity  1.000  
164  164  mt        -63.4   -46.6  Favored    11  38.340     8  0.42    11  0.32  molprobity  1.000  
165  165  ?         -59.0   -48.9  Favored     5  23.840     5  0.59     7  0.54  molprobity  1.000  
166  166  ?         -58.5   -46.4  Favored     3  22.370     4  0.78     5  0.62  molprobity  1.000  
167  167  tp        -58.4   -49.2  Favored    11  23.330     8  0.64    11  0.56  molprobity  1.000  
168  168  ?         -57.3   -48.2  Favored     5  26.580     5  0.72     7  0.67  molprobity  1.000  
169  169  t         -60.6   -44.5  Favored     9  27.770     7  0.49    10  0.62  molprobity  1.000  
170  170  ?         -58.2   -45.0  Favored     3  22.330     4  0.26     5  0.67  molprobity  1.000  
171  171  mt        -59.3   -46.2  Favored    11  25.630     8  0.64    11  0.46  molprobity  1.000  
172  172  ?         -58.7   -47.0  Favored     5  29.350     5  0.50     7  0.39  molprobity  1.000  
173  173  mtp       -64.6   -40.6  Favored     9  34.770     8  0.45    10  0.62  molprobity  1.000  
174  174  ?         -70.8   -32.9  Favored     5  25.510     5  0.28     7  0.34  molprobity  1.000  
175  175  t80       -73.2   -52.3  Favored     9  36.090    12  0.98    16  0.57  molprobity  1.000  
176  176  t         -52.1   -49.8  Favored     9  37.270     7  0.48    10  0.49  molprobity  1.000  
177  177  m-20      -61.8   -22.9  Favored     4  43.880     8  0.73    11  0.63  molprobity  1.000  
178  178  m         -97.9    28.0  Favored     5  53.690     6  0.37     8  0.40  molprobity  1.000  
179  179  mt       -117.7   -38.5  Favored    11  63.470     8  0.27    11  0.54  molprobity  1.000  
180  180  m120      -75.3   156.4  Favored     6  84.710     8  0.72    11  0.55  molprobity  1.000  
181  181  ?             ?       ?  ?           5  97.510     4  0.49     4  0.69  molprobity  1.000  
182  182  ?             ?       ?  ?           ?  69.120     3  0.63     4  0.69  molprobity  1.000  
183  183  t         -81.7   156.0  Favored     9  48.840     7  0.49    10  0.70  molprobity  1.000  
184  184  mtt-85   -111.9   136.2  Favored    13  38.650    11  0.48    14  1.07  molprobity  1.000  
185  185  mtm       -94.1   114.0  Favored     9  44.700     8  0.33    10  0.92  molprobity  1.000  
186  186  ?             ?       ?  ?           5  34.760     4  0.32     4  0.79  molprobity  1.000  
187  187  ?             ?       ?  ?           ?  43.710     ?     ?     ?     ?  ?           1.000  
188  188  ?             ?       ?  ?           ?  19.390     ?     ?     ?     ?  ?           1.000  
189  189  ?             ?       ?  ?           ?  39.670     ?     ?     ?     ?  ?           1.000  
190  190  ?             ?       ?  ?           ?  28.290     ?     ?     ?     ?  ?           1.000  
191  191  ?             ?       ?  ?           ?  33.610     ?     ?     ?     ?  ?           1.000  
192  192  ?             ?       ?  ?           ?  37.900     ?     ?     ?     ?  ?           1.000  
193  193  ?             ?       ?  ?           ?  25.430     ?     ?     ?     ?  ?           1.000  
194  194  ?             ?       ?  ?           ?  32.680     ?     ?     ?     ?  ?           1.000  
195  195  ?             ?       ?  ?           ?  25.070     ?     ?     ?     ?  ?           1.000  
196  196  ?             ?       ?  ?           ?  17.450     ?     ?     ?     ?  ?           1.000  
197  197  ?             ?       ?  ?           ?  35.660     ?     ?     ?     ?  ?           1.000  
198  198  ?             ?       ?  ?           ?  38.160     ?     ?     ?     ?  ?           1.000  
199  199  ?             ?       ?  ?           ?  77.520     ?     ?     ?     ?  ?           1.000  
200  200  ?             ?       ?  ?           ?  31.810     ?     ?     ?     ?  ?           1.000  
201  201  ?             ?       ?  ?           ?  33.080     ?     ?     ?     ?  ?           1.000  
202  202  ?             ?       ?  ?           ?  23.310     ?     ?     ?     ?  ?           1.000  
203  203  ?             ?       ?  ?           ?  44.390     ?     ?     ?     ?  ?           1.000  
204  204  ?             ?       ?  ?           ?  44.580     ?     ?     ?     ?  ?           1.000  
205  205  ?             ?       ?  ?           ?  39.580     ?     ?     ?     ?  ?           1.000  
206  206  ?             ?       ?  ?           ?  52.160     ?     ?     ?     ?  ?           1.000  
207  207  ?             ?       ?  ?           ?  11.670     ?     ?     ?     ?  ?           1.000  
208  208  ?             ?       ?  ?           ?  37.750     ?     ?     ?     ?  ?           1.000  
209  209  ?             ?       ?  ?           ?  30.560     ?     ?     ?     ?  ?           1.000  
210  210  ?             ?       ?  ?           ?  41.710     ?     ?     ?     ?  ?           1.000  
211  211  ?             ?       ?  ?           ?  45.220     ?     ?     ?     ?  ?           1.000  
212  212  ?             ?       ?  ?           ?  41.380     ?     ?     ?     ?  ?           1.000  
213  213  ?             ?       ?  ?           ?  47.640     ?     ?     ?     ?  ?           1.000  
214  214  ?             ?       ?  ?           ?  40.020     ?     ?     ?     ?  ?           1.000  
215  215  ?             ?       ?  ?           ?  38.620     ?     ?     ?     ?  ?           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    1  NH2    1  0.60  2.34  
 2    1  NH1    2  0.50  2.44  
 3    1  HH22   3  0.47  1.79  
 4    4  O      4  0.47  2.15  
 5    8  HG23   4  0.47  2.15  
 6    9  HE2    5  0.57  2.34  
 7    9  HE2    6  0.50  1.93  
 8    9  HE2    7  0.45  1.98  
 9   18  O      8  0.45  2.17  
10   22  HG12   8  0.45  2.17  
11   34  CD1    9  0.50  2.46  
12   45  O     10  0.43  2.19  
13   49  HG23  10  0.43  2.19  
14   62  HZ    11  0.44  2.35  
15   63  HD22  12  0.47  1.62  
16   63  ND2   13  0.45  2.15  
17   69  O      1  0.60  2.34  
18   70  HD11  14  0.44  1.99  
19   73  HB2    3  0.47  1.79  
20   93  HD12  15  0.45  1.99  
21   99  HB3   16  0.53  2.09  
22   99  HG3    9  0.50  2.46  
23   99  HA    17  0.44  2.17  
24  103  O     17  0.44  2.17  
25  109  CD1    5  0.57  2.34  
26  109  HD13   6  0.50  1.93  
27  109  H     12  0.47  1.62  
28  109  H     13  0.45  2.15  
29  109  HD11   7  0.45  1.98  
30  110  OG    18  1.21  1.77  
31  110  OG    19  0.56  2.54  
32  110  CB    20  0.80  2.49  
33  110  HA    21  0.51  1.93  
34  110  HB3   22  0.50  2.29  
35  113  HB    21  0.51  1.93  
36  114  CD1   23  0.45  2.52  
37  117  HE3   23  0.45  2.52  
38  117  HG3   14  0.44  1.99  
39  126  NH2   24  0.57  2.37  
40  136  HD3   25  0.54  2.38  
41  136  HA    26  0.50  1.94  
42  139  CG2   25  0.54  2.38  
43  139  HG22  26  0.50  1.94  
44  140  HG23  27  0.57  2.19  
45  140  HG23  28  0.47  1.78  
46  140  CG2   29  0.42  2.82  
47  141  O     30  0.69  2.28  
48  141  O     31  0.42  2.52  
49  141  N     27  0.57  2.19  
50  141  N     29  0.42  2.82  
51  141  H     28  0.47  1.78  
52  141  CE2   11  0.44  2.35  
53  142  C     30  0.69  2.28  
54  143  O     32  0.48  2.13  
55  143  HA    33  0.46  1.98  
56  144  N     31  0.42  2.52  
57  146  HG22  33  0.46  1.98  
58  146  HD11  34  0.41  2.01  
59  147  HG22  32  0.48  2.13  
60  148  HB1   35  0.61  1.83  
61  150  HE1   36  0.65  1.61  
62  153  HD22  35  0.61  1.83  
63  164  HD11  36  0.65  1.61  
64  164  HG12  34  0.41  2.01  
65  165  O     37  0.51  2.10  
66  169  HG23  37  0.51  2.10  
67  169  HG22  15  0.45  1.99  
68  178  O     24  0.57  2.37  
69  186  C     18  1.21  1.77  
70  186  C     20  0.80  2.49  
71  186  C     22  0.50  2.29  
72  186  CA    19  0.56  2.54  
73  189  O      2  0.50  2.44  
74  190  O     16  0.53  2.09  
#
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  11  0.815  0.215   0.419  
  2    2   5  0.944  0.167   0.297  
  3    3   4  0.923  0.127  -0.269  
  4    4   7  0.959  0.127  -0.328  
  5    5   7  0.970  0.083  -1.288  
  6    6   7  0.946  0.091  -0.990  
  7    7  14  0.954  0.105  -0.813  
  8    8   7  0.960  0.147  -0.216  
  9    9   8  0.956  0.161   0.121  
 10   10   8  0.949  0.177   0.382  
 11   11   8  0.945  0.127  -0.651  
 12   12   5  0.962  0.175   0.426  
 13   13   6  0.890  0.106  -0.521  
 14   14   7  0.949  0.148  -0.199  
 15   15   7  0.930  0.155  -0.082  
 16   16   7  0.949  0.113  -0.786  
 17   17  11  0.891  0.186   0.466  
 18   18   8  0.972  0.091  -1.253  
 19   19   5  0.966  0.108  -0.660  
 20   20   8  0.947  0.139  -0.239  
 21   21   9  0.891  0.155  -0.286  
 22   22   8  0.942  0.135  -0.517  
 23   23   8  0.937  0.120  -0.781  
 24   24   4  0.951  0.066  -1.166  
 25   25   8  0.946  0.110  -0.742  
 26   26   9  0.953  0.148  -0.381  
 27   27   9  0.928  0.131  -0.717  
 28   28   7  0.948  0.118  -0.702  
 29   29   8  0.946  0.166   0.203  
 30   30   8  0.967  0.131  -0.602  
 31   31  14  0.964  0.125  -0.438  
 32   32   8  0.962  0.133  -0.569  
 33   33   5  0.981  0.146  -0.044  
 34   34  14  0.905  0.152   0.067  
 35   35   7  0.963  0.103  -0.703  
 36   36  11  0.956  0.128  -0.506  
 37   37   8  0.948  0.113  -0.700  
 38   38   7  0.953  0.143  -0.078  
 39   39   7  0.928  0.134  -0.292  
 40   40   8  0.894  0.165  -0.047  
 41   41   9  0.950  0.159  -0.489  
 42   42  11  0.936  0.099  -0.992  
 43   43   9  0.939  0.104  -1.052  
 44   44  11  0.911  0.145  -0.221  
 45   45  14  0.969  0.111  -0.700  
 46   46  11  0.955  0.115  -0.907  
 47   47  12  0.944  0.137  -0.278  
 48   48  11  0.931  0.128  -0.506  
 49   49   7  0.946  0.140  -0.195  
 50   50  10  0.962  0.100  -0.844  
 51   51   5  0.935  0.117  -0.514  
 52   52   8  0.933  0.156  -0.194  
 53   53   8  0.947  0.122  -0.516  
 54   54  10  0.957  0.136  -0.302  
 55   55  11  0.950  0.151  -0.121  
 56   56   6  0.941  0.113  -0.582  
 57   57   8  0.960  0.225   0.931  
 58   58   8  0.923  0.099  -0.892  
 59   59  10  0.960  0.132  -0.362  
 60   60   8  0.970  0.153  -0.216  
 61   61   8  0.957  0.173   0.083  
 62   62  11  0.908  0.143  -0.255  
 63   63   8  0.965  0.113  -0.690  
 64   64   8  0.970  0.124  -0.716  
 65   65   8  0.938  0.156  -0.194  
 66   66  14  0.949  0.106  -0.794  
 67   67  14  0.931  0.127  -0.401  
 68   68  14  0.940  0.110  -0.719  
 69   69  12  0.916  0.120  -0.576  
 70   70   8  0.933  0.108  -0.977  
 71   71   4  0.961  0.105  -0.593  
 72   72   4  0.967  0.120  -0.372  
 73   73   5  0.967  0.100  -0.789  
 74   74   7  0.958  0.115  -0.752  
 75   75   9  0.970  0.090  -1.226  
 76   76   9  0.928  0.172  -0.328  
 77   77  11  0.895  0.150  -0.443  
 78   78   8  0.956  0.146  -0.357  
 79   79   4  0.983  0.102  -0.637  
 80   80   6  0.969  0.112  -0.598  
 81   81   4  0.965  0.138  -0.107  
 82   82   9  0.924  0.157  -0.514  
 83   83   8  0.957  0.145  -0.374  
 84   84   8  0.966  0.101  -1.085  
 85   85   7  0.969  0.108  -0.869  
 86   86   8  0.959  0.121  -0.751  
 87   87   7  0.964  0.135  -0.276  
 88   88   8  0.968  0.122  -0.749  
 89   89   8  0.956  0.096  -1.169  
 90   90   6  0.928  0.145  -0.085  
 91   91   5  0.968  0.124  -0.400  
 92   92   8  0.943  0.114  -0.879  
 93   93   8  0.973  0.155  -0.210  
 94   94   6  0.925  0.112  -0.598  
 95   95   4  0.969  0.094  -0.754  
 96   96  12  0.933  0.167   0.250  
 97   97   7  0.978  0.100  -1.003  
 98   98   9  0.935  0.121  -0.748  
 99   99   9  0.926  0.120  -0.762  
100  100   9  0.934  0.127  -0.886  
101  101  11  0.950  0.162   0.064  
102  102   6  0.952  0.148  -0.039  
103  103   4  0.970  0.096  -0.725  
104  104   7  0.949  0.095  -0.828  
105  105  14  0.947  0.096  -0.981  
106  106  11  0.972  0.090  -1.142  
107  107   4  0.983  0.102  -0.637  
108  108   4  0.969  0.089  -0.828  
109  109   8  0.949  0.114  -0.879  
110  110   6  0.943  0.140  -0.163  
111  111   4  0.977  0.081  -0.946  
112  112   7  0.970  0.098  -1.037  
113  113   7  0.976  0.105  -0.920  
114  114  11  0.950  0.110  -0.807  
115  115   5  0.981  0.097  -0.838  
116  116   8  0.970  0.123  -0.732  
117  117   8  0.947  0.117  -0.598  
118  118   4  0.949  0.115  -0.446  
119  119  12  0.947  0.115  -0.664  
120  120   7  0.953  0.141  -0.317  
121  121  14  0.936  0.185   0.685  
122  122   8  0.954  0.157  -0.178  
123  123  11  0.927  0.156  -0.363  
124  124   4  0.939  0.135  -0.151  
125  125   9  0.921  0.158  -0.381  
126  126  11  0.927  0.146  -0.496  
127  127   8  0.872  0.191   0.399  
128  128   7  0.909  0.121  -0.422  
129  129   9  0.894  0.192   0.218  
130  130   6  0.925  0.203   0.815  
131  131   4  0.945  0.172   0.393  
132  132   8  0.945  0.239   1.222  
133  133  12  0.898  0.174   0.373  
134  134   8  0.964  0.131  -0.602  
135  135   9  0.924  0.196   0.272  
136  136  11  0.753  0.345   2.143  
137  137   4  0.802  0.301   2.290  
138  138   8  0.956  0.175   0.116  
139  139   8  0.916  0.123  -0.717  
140  140   8  0.819  0.264   1.640  
141  141  11  0.910  0.158  -0.003  
142  142   5  0.983  0.100  -0.789  
143  143   8  0.922  0.127  -0.667  
144  144   8  0.957  0.131  -0.584  
145  145  14  0.912  0.165   0.311  
146  146   8  0.961  0.128  -0.634  
147  147   7  0.958  0.113  -0.786  
148  148   5  0.940  0.109  -0.643  
149  149   4  0.941  0.124  -0.313  
150  150  14  0.921  0.123  -0.476  
151  151  11  0.831  0.172   0.231  
152  152   8  0.893  0.135  -0.390  
153  153   8  0.845  0.232   1.046  
154  154  11  0.831  0.215   0.951  
155  155   4  0.656  0.192   0.687  
156  156   8  0.877  0.262   1.771  
157  157   6  0.922  0.164   0.210  
158  158   8  0.929  0.170   0.268  
159  159   5  0.956  0.128  -0.335  
160  160   8  0.938  0.100  -0.881  
161  161   4  0.973  0.081  -0.946  
162  162   5  0.947  0.170   0.345  
163  163  10  0.964  0.122  -0.513  
164  164   8  0.935  0.209   0.721  
165  165   5  0.968  0.117  -0.514  
166  166   4  0.960  0.115  -0.446  
167  167   8  0.932  0.166  -0.031  
168  168   5  0.964  0.120  -0.465  
169  169   7  0.961  0.118  -0.702  
170  170   4  0.970  0.160   0.216  
171  171   8  0.965  0.125  -0.700  
172  172   5  0.964  0.102  -0.757  
173  173   8  0.941  0.129  -0.402  
174  174   5  0.955  0.163   0.232  
175  175  11  0.921  0.126  -0.539  
176  176   7  0.947  0.119  -0.685  
177  177   8  0.926  0.160  -0.038  
178  178   6  0.928  0.151   0.008  
179  179   8  0.933  0.165  -0.047  
180  180   8  0.719  0.230   1.028  
181  181   5  0.749  0.453   4.932  
182  182   3  0.776  0.323   2.825  
183  183   7  0.928  0.185   0.420  
184  184  11  0.956  0.128  -0.735  
185  185   8  0.930  0.206   0.856  
186  186   5  0.957  0.102  -0.757  
187  187   1  0.851  0.297       ?  
188  188   1  0.913  0.125       ?  
189  189   1  0.653  0.135       ?  
190  190   1  0.942  0.103       ?  
191  191   1  0.901  0.101       ?  
192  192   1  0.942  0.616       ?  
193  193   1  0.811  0.101       ?  
194  194   1  0.817  0.260       ?  
195  195   1  0.944  0.102       ?  
196  196   1  0.980  0.124       ?  
197  197   1  0.912  0.113       ?  
198  198   1  0.782  0.152       ?  
199  199   1  0.489  0.236       ?  
200  200   1  0.977  0.054       ?  
201  201   1  0.924  0.059       ?  
202  202   1  0.953  0.058       ?  
203  203   1  0.960  0.149       ?  
204  204   1  0.639  0.152       ?  
205  205   1  0.845  0.180       ?  
206  206   1  0.811  0.249       ?  
207  207   1  0.979  0.140       ?  
208  208   1  0.920  0.145       ?  
209  209   1  0.897  0.080       ?  
210  210   1  0.840  0.098       ?  
211  211   1  0.715  0.134       ?  
212  212   1  0.835  0.148       ?  
213  213   1  0.470  0.262       ?  
214  214   1  0.909  0.123       ?  
215  215   1  0.798  0.169       ?  
#
loop_
_pdbx_vrpt_software.ordinal
_pdbx_vrpt_software.name
_pdbx_vrpt_software.version
_pdbx_vrpt_software.success_y_or_n
1  molprobity   4.02b-467                                                             Y  
2  eds          2.35.1                                                                Y  
3  dcc          '"2.27  (2023-04-10)"'                                                Y  
4  xtriage      1.13                                                                  Y  
5  percentiles  "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
