data_4NQU

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  4NQU
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    4NQU
_pdbx_vrpt_summary.PDB_deposition_date         2013-11-25
_pdbx_vrpt_summary.PDB_revision_number         3
_pdbx_vrpt_summary.PDB_revision_date           2023-09-20
_pdbx_vrpt_summary.report_creation_date        2023-09-12:13:40
_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      "Ig gamma-1 chain C region"  
2  non-polymer  "SULFATE ION"  
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  2.5  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   63.71  141614     ?     ?  
 2  2  1   79.82    5346  2.50  2.50  
 3  1  2  100.00  138981     ?     ?  
 4  2  2  100.00    5231  2.50  2.50  
 5  1  3   26.74  138945     ?     ?  
 6  2  3   49.57    5233  2.50  2.50  
 7  1  4   44.79  127900     ?     ?  
 8  2  4   48.43    4559  2.50  2.50  
 9  1  5   12.99  130704     ?     ?  
10  2  5   20.39    4661  2.50  2.50  
#
loop_
_pdbx_vrpt_percentile_entity_view.ordinal
_pdbx_vrpt_percentile_entity_view.conditions_id
_pdbx_vrpt_percentile_entity_view.type_id
_pdbx_vrpt_percentile_entity_view.label_asym_id
_pdbx_vrpt_percentile_entity_view.PDB_model_num
_pdbx_vrpt_percentile_entity_view.entity_id
_pdbx_vrpt_percentile_entity_view.auth_asym_id
_pdbx_vrpt_percentile_entity_view.rank
1  3  2  A  1  1  A  100.00  
2  4  2  A  1  1  A  100.00  
3  5  3  A  1  1  A   26.74  
4  6  3  A  1  1  A   49.57  
5  7  4  A  1  1  A   44.79  
6  8  4  A  1  1  A   48.43  
#
_pdbx_vrpt_summary_entity_geometry.ordinal          1
_pdbx_vrpt_summary_entity_geometry.PDB_model_num    1
_pdbx_vrpt_summary_entity_geometry.entity_id        1
_pdbx_vrpt_summary_entity_geometry.label_asym_id    A
_pdbx_vrpt_summary_entity_geometry.auth_asym_id     A
_pdbx_vrpt_summary_entity_geometry.angles_RMSZ      0.58
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ       0.48
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ   1720
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ  2343
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  0.00
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       4.64
_pdbx_vrpt_summary_geometry.clashscore                     4.23
_pdbx_vrpt_summary_geometry.num_H_reduce                   1634
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 1720
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.48
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                2343
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.58
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.Babinet_b                 10.000
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            38.060
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         43.782
_pdbx_vrpt_summary_diffraction.I_over_sigma              3.54(2.51A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        8571
_pdbx_vrpt_summary_diffraction.Babinet_k                 0.011
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.311
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.477
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.311
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.936
_pdbx_vrpt_summary_diffraction.twin_fraction             -h,-k,l:0.047
_pdbx_vrpt_summary_diffraction.DCC_R                     0.21
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.28
_pdbx_vrpt_summary_diffraction.EDS_R                     0.22
_pdbx_vrpt_summary_diffraction.EDS_res_high              2.50
_pdbx_vrpt_summary_diffraction.EDS_res_low               38.54
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[46.183,46.183,39.454,0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.153
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 9.95% 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         1
_pdbx_vrpt_summary_diffraction.centric_outliers          0
_pdbx_vrpt_summary_diffraction.data_completeness         96.82
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      425
_pdbx_vrpt_summary_diffraction.percent_free_reflections  4.96
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     3.37
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       2.50
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        50.00
_pdbx_vrpt_summary_diffraction.PDB_R                     0.23
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.29
#
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    3  GLY  A  237  .  ?        ?  
  2  1  1  A    4  PRO  A  238  .  ?        ?  
  3  1  1  A    5  SER  A  239  .  ?        ?  
  4  1  1  A    6  VAL  A  240  .  ?        ?  
  5  1  1  A    7  PHE  A  241  .  ?        ?  
  6  1  1  A    8  LEU  A  242  .  ?        2  
  7  1  1  A    9  PHE  A  243  .  ?        ?  
  8  1  1  A   10  PRO  A  244  .  ?        1  
  9  1  1  A   11  PRO  A  245  .  ?        ?  
 10  1  1  A   12  LYS  A  246  .  ?        ?  
 11  1  1  A   13  PRO  A  247  .  ?        ?  
 12  1  1  A   14  LYS  A  248  .  ?        ?  
 13  1  1  A   15  ASP  A  249  .  ?        ?  
 14  1  1  A   16  THR  A  250  .  ?        ?  
 15  1  1  A   17  LEU  A  251  .  ?        ?  
 16  1  1  A   18  MET  A  252  .  ?        ?  
 17  1  1  A   19  ILE  A  253  .  ?        ?  
 18  1  1  A   20  SER  A  254  .  ?        ?  
 19  1  1  A   21  ARG  A  255  .  ?        ?  
 20  1  1  A   22  THR  A  256  .  ?        ?  
 21  1  1  A   23  PRO  A  257  .  ?        1  
 22  1  1  A   24  GLU  A  258  .  ?        ?  
 23  1  1  A   25  VAL  A  259  .  ?        3  
 24  1  1  A   26  THR  A  260  .  ?        ?  
 25  1  1  A   27  CYS  A  261  .  ?        ?  
 26  1  1  A   28  VAL  A  262  .  ?        ?  
 27  1  1  A   29  VAL  A  263  .  ?        ?  
 28  1  1  A   30  VAL  A  264  .  ?        ?  
 29  1  1  A   31  ASP  A  265  .  ?        ?  
 30  1  1  A   32  VAL  A  266  .  ?        1  
 31  1  1  A   33  SER  A  267  .  ?        ?  
 32  1  1  A   34  HIS  A  268  .  ?        ?  
 33  1  1  A   35  GLU  A  269  .  ?        ?  
 34  1  1  A   36  ASP  A  270  .  ?        ?  
 35  1  1  A   37  PRO  A  271  .  ?        ?  
 36  1  1  A   38  GLU  A  272  .  ?        1  
 37  1  1  A   39  VAL  A  273  .  ?        ?  
 38  1  1  A   40  LYS  A  274  .  ?        ?  
 39  1  1  A   41  PHE  A  275  .  ?        ?  
 40  1  1  A   42  ASN  A  276  .  ?        ?  
 41  1  1  A   43  TRP  A  277  .  ?        ?  
 42  1  1  A   44  TYR  A  278  .  ?        ?  
 43  1  1  A   45  VAL  A  279  .  ?        ?  
 44  1  1  A   46  ASP  A  280  .  ?        ?  
 45  1  1  A   47  GLY  A  281  .  ?        ?  
 46  1  1  A   48  VAL  A  282  .  ?        ?  
 47  1  1  A   49  GLU  A  283  .  ?        ?  
 48  1  1  A   50  VAL  A  284  .  ?        ?  
 49  1  1  A   51  HIS  A  285  .  ?        ?  
 50  1  1  A   52  ASN  A  286  .  ?        ?  
 51  1  1  A   53  ALA  A  287  .  ?        ?  
 52  1  1  A   54  LYS  A  288  .  ?        ?  
 53  1  1  A   55  THR  A  289  .  ?        ?  
 54  1  1  A   56  LYS  A  290  .  ?        1  
 55  1  1  A   57  PRO  A  291  .  ?        ?  
 56  1  1  A   58  ARG  A  292  .  ?        ?  
 57  1  1  A   59  GLU  A  293  .  ?        ?  
 58  1  1  A   60  GLU  A  294  .  ?        ?  
 59  1  1  A   61  GLN  A  295  .  ?        ?  
 60  1  1  A   62  TYR  A  296  .  ?        ?  
 61  1  1  A   63  ASN  A  297  .  ?        ?  
 62  1  1  A   64  SER  A  298  .  ?        ?  
 63  1  1  A   65  THR  A  299  .  ?        ?  
 64  1  1  A   66  TYR  A  300  .  ?        1  
 65  1  1  A   67  ARG  A  301  .  ?        ?  
 66  1  1  A   68  VAL  A  302  .  ?        ?  
 67  1  1  A   69  VAL  A  303  .  ?        1  
 68  1  1  A   70  SER  A  304  .  ?        ?  
 69  1  1  A   71  VAL  A  305  .  ?        ?  
 70  1  1  A   72  LEU  A  306  .  ?        ?  
 71  1  1  A   73  THR  A  307  .  ?        ?  
 72  1  1  A   74  VAL  A  308  .  ?        1  
 73  1  1  A   75  LEU  A  309  .  ?        ?  
 74  1  1  A   76  HIS  A  310  .  ?        ?  
 75  1  1  A   77  GLN  A  311  .  ?        ?  
 76  1  1  A   78  ASP  A  312  .  ?        ?  
 77  1  1  A   79  TRP  A  313  .  ?        ?  
 78  1  1  A   80  LEU  A  314  .  ?        ?  
 79  1  1  A   81  ASN  A  315  .  ?        ?  
 80  1  1  A   82  GLY  A  316  .  ?        ?  
 81  1  1  A   83  LYS  A  317  .  ?        ?  
 82  1  1  A   84  GLU  A  318  .  ?        ?  
 83  1  1  A   85  TYR  A  319  .  ?        ?  
 84  1  1  A   86  LYS  A  320  .  ?        ?  
 85  1  1  A   87  CYS  A  321  .  ?        ?  
 86  1  1  A   88  LYS  A  322  .  ?        ?  
 87  1  1  A   89  VAL  A  323  .  ?        ?  
 88  1  1  A   90  SER  A  324  .  ?        ?  
 89  1  1  A   91  ASN  A  325  .  ?        ?  
 90  1  1  A   92  LYS  A  326  .  ?        ?  
 91  1  1  A   93  ALA  A  327  .  ?        ?  
 92  1  1  A   94  LEU  A  328  .  ?        ?  
 93  1  1  A   95  PRO  A  329  .  ?        ?  
 94  1  1  A   96  ALA  A  330  .  ?        ?  
 95  1  1  A   97  PRO  A  331  .  ?        ?  
 96  1  1  A   98  ILE  A  332  .  ?        ?  
 97  1  1  A   99  GLU  A  333  .  ?        ?  
 98  1  1  A  100  LYS  A  334  .  ?        ?  
 99  1  1  A  101  THR  A  335  .  ?        ?  
100  1  1  A  102  ILE  A  336  .  ?        2  
101  1  1  A  103  SER  A  337  .  ?        ?  
102  1  1  A  104  LYS  A  338  .  ?        ?  
103  1  1  A  105  ALA  A  339  .  ?        ?  
104  1  1  A  106  LYS  A  340  .  ?        ?  
105  1  1  A  107  GLY  A  341  .  ?        ?  
106  1  1  A  108  GLN  A  342  .  ?        ?  
107  1  1  A  109  PRO  A  343  .  ?        ?  
108  1  1  A  110  ARG  A  344  .  ?        ?  
109  1  1  A  111  GLU  A  345  .  ?        ?  
110  1  1  A  112  PRO  A  346  .  ?        ?  
111  1  1  A  113  GLN  A  347  .  ?        ?  
112  1  1  A  114  VAL  A  348  .  ?        ?  
113  1  1  A  115  TYR  A  349  .  ?        ?  
114  1  1  A  116  THR  A  350  .  ?        ?  
115  1  1  A  117  LEU  A  351  .  ?        ?  
116  1  1  A  118  PRO  A  352  .  ?        ?  
117  1  1  A  119  PRO  A  353  .  ?        ?  
118  1  1  A  120  SER  A  354  .  ?        ?  
119  1  1  A  121  ARG  A  355  .  ?        2  
120  1  1  A  122  GLU  A  356  .  ?        2  
121  1  1  A  123  GLU  A  357  .  ?        ?  
122  1  1  A  124  MET  A  358  .  ?        ?  
123  1  1  A  125  THR  A  359  .  ?        ?  
124  1  1  A  126  LYS  A  360  .  ?        ?  
125  1  1  A  127  ASN  A  361  .  ?        ?  
126  1  1  A  128  GLN  A  362  .  ?        ?  
127  1  1  A  129  VAL  A  363  .  ?        ?  
128  1  1  A  130  SER  A  364  .  ?        1  
129  1  1  A  131  LEU  A  365  .  ?        ?  
130  1  1  A  132  TRP  A  366  .  ?        ?  
131  1  1  A  133  CYS  A  367  .  ?        ?  
132  1  1  A  134  LEU  A  368  .  ?        ?  
133  1  1  A  135  VAL  A  369  .  ?        ?  
134  1  1  A  136  LYS  A  370  .  ?        ?  
135  1  1  A  137  GLY  A  371  .  ?        ?  
136  1  1  A  138  PHE  A  372  .  ?        ?  
137  1  1  A  139  TYR  A  373  .  ?        ?  
138  1  1  A  140  PRO  A  374  .  ?        ?  
139  1  1  A  141  SER  A  375  .  ?        ?  
140  1  1  A  142  ASP  A  376  .  ?        ?  
141  1  1  A  143  ILE  A  377  .  ?        ?  
142  1  1  A  144  ALA  A  378  .  ?        ?  
143  1  1  A  145  VAL  A  379  .  ?        ?  
144  1  1  A  146  GLU  A  380  .  ?        ?  
145  1  1  A  147  TRP  A  381  .  ?        ?  
146  1  1  A  148  GLU  A  382  .  ?        ?  
147  1  1  A  149  SER  A  383  .  ?        ?  
148  1  1  A  150  ASN  A  384  .  ?        ?  
149  1  1  A  151  GLY  A  385  .  ?        ?  
150  1  1  A  152  GLN  A  386  .  ?        ?  
151  1  1  A  153  PRO  A  387  .  ?        ?  
152  1  1  A  154  GLU  A  388  .  ?        ?  
153  1  1  A  155  ASN  A  389  .  ?        ?  
154  1  1  A  156  ASN  A  390  .  ?        ?  
155  1  1  A  157  TYR  A  391  .  ?        ?  
156  1  1  A  158  LYS  A  392  .  ?        ?  
157  1  1  A  159  THR  A  393  .  ?        ?  
158  1  1  A  160  THR  A  394  .  ?        ?  
159  1  1  A  161  PRO  A  395  .  ?        ?  
160  1  1  A  162  PRO  A  396  .  ?        ?  
161  1  1  A  163  VAL  A  397  .  ?        ?  
162  1  1  A  164  LEU  A  398  .  ?        ?  
163  1  1  A  165  ASP  A  399  .  ?        ?  
164  1  1  A  166  SER  A  400  .  ?        ?  
165  1  1  A  167  ASP  A  401  .  ?        ?  
166  1  1  A  168  GLY  A  402  .  ?        ?  
167  1  1  A  169  SER  A  403  .  ?        ?  
168  1  1  A  170  PHE  A  404  .  ?        ?  
169  1  1  A  171  PHE  A  405  .  ?        ?  
170  1  1  A  172  LEU  A  406  .  ?        ?  
171  1  1  A  173  TYR  A  407  .  ?        ?  
172  1  1  A  174  SER  A  408  .  ?        ?  
173  1  1  A  175  LYS  A  409  .  ?        ?  
174  1  1  A  176  LEU  A  410  .  ?        1  
175  1  1  A  177  THR  A  411  .  ?        ?  
176  1  1  A  178  VAL  A  412  .  ?        ?  
177  1  1  A  179  ASP  A  413  .  ?        ?  
178  1  1  A  180  LYS  A  414  .  ?        ?  
179  1  1  A  181  SER  A  415  .  ?        ?  
180  1  1  A  182  ARG  A  416  .  ?        ?  
181  1  1  A  183  TRP  A  417  .  ?        ?  
182  1  1  A  184  GLN  A  418  .  ?        ?  
183  1  1  A  185  GLN  A  419  .  ?        ?  
184  1  1  A  186  GLY  A  420  .  ?        ?  
185  1  1  A  187  ASN  A  421  .  ?        ?  
186  1  1  A  188  VAL  A  422  .  ?        ?  
187  1  1  A  189  PHE  A  423  .  ?        ?  
188  1  1  A  190  SER  A  424  .  ?        ?  
189  1  1  A  191  CYS  A  425  .  ?        ?  
190  1  1  A  192  SER  A  426  .  ?        ?  
191  1  1  A  193  VAL  A  427  .  ?        ?  
192  1  1  A  194  MET  A  428  .  ?        ?  
193  1  1  A  195  HIS  A  429  .  ?        2  
194  1  1  A  196  GLU  A  430  .  ?        ?  
195  1  1  A  197  ALA  A  431  .  ?        2  
196  1  1  A  198  LEU  A  432  .  ?        ?  
197  1  1  A  199  HIS  A  433  .  ?        ?  
198  1  1  A  200  ASN  A  434  .  ?        ?  
199  1  1  A  201  HIS  A  435  .  ?        ?  
200  1  1  A  202  TYR  A  436  .  ?        ?  
201  1  1  A  203  THR  A  437  .  ?        ?  
202  1  1  A  204  GLN  A  438  .  ?        ?  
203  1  1  A  205  LYS  A  439  .  ?        ?  
204  1  1  A  206  SER  A  440  .  ?        ?  
205  1  1  A  207  LEU  A  441  .  ?        ?  
206  1  1  A  208  SER  A  442  .  ?        ?  
207  1  1  A  209  LEU  A  443  .  ?        1  
208  1  1  A  210  SER  A  444  .  ?        1  
209  1  2  B    .  SO4  A  501  .  ?        ?  
210  1  3  C    .  HOH  A  601  .  ?        ?  
211  1  3  C    .  HOH  A  602  .  ?        ?  
212  1  3  C    .  HOH  A  603  .  ?        ?  
213  1  3  C    .  HOH  A  604  .  ?        ?  
214  1  3  C    .  HOH  A  605  .  ?        ?  
215  1  3  C    .  HOH  A  606  .  ?        ?  
216  1  3  C    .  HOH  A  607  .  ?        ?  
217  1  3  C    .  HOH  A  608  .  ?        ?  
218  1  3  C    .  HOH  A  609  .  ?        ?  
219  1  3  C    .  HOH  A  610  .  ?        ?  
220  1  3  C    .  HOH  A  611  .  ?        ?  
221  1  3  C    .  HOH  A  612  .  ?        ?  
222  1  3  C    .  HOH  A  613  .  ?        ?  
223  1  3  C    .  HOH  A  614  .  ?        1  
224  1  3  C    .  HOH  A  615  .  ?        ?  
225  1  3  C    .  HOH  A  616  .  ?        ?  
226  1  3  C    .  HOH  A  617  .  ?        ?  
227  1  3  C    .  HOH  A  618  .  ?        ?  
228  1  3  C    .  HOH  A  619  .  ?        ?  
229  1  3  C    .  HOH  A  620  .  ?        ?  
230  1  3  C    .  HOH  A  621  .  ?        ?  
231  1  3  C    .  HOH  A  622  .  ?        ?  
232  1  3  C    .  HOH  A  623  .  ?        ?  
233  1  3  C    .  HOH  A  624  .  ?        ?  
234  1  3  C    .  HOH  A  625  .  ?        ?  
235  1  3  C    .  HOH  A  626  .  ?        ?  
236  1  3  C    .  HOH  A  627  .  ?        ?  
237  1  3  C    .  HOH  A  628  .  ?        ?  
238  1  3  C    .  HOH  A  629  .  ?        ?  
239  1  3  C    .  HOH  A  630  .  ?        ?  
240  1  3  C    .  HOH  A  631  .  ?        ?  
241  1  3  C    .  HOH  A  632  .  ?        ?  
242  1  3  C    .  HOH  A  633  .  ?        ?  
243  1  3  C    .  HOH  A  634  .  ?        ?  
244  1  3  C    .  HOH  A  635  .  ?        ?  
#
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.cis_peptide
_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  ?             ?       ?  ?           ?  ?        2   60.010     4  1.53     6  0.52  molprobity  1.000  
  2    2  Cg_exo    -50.5   153.2  Favored     ?  ?        7   46.530     8  0.47    11  0.65  molprobity  1.000  
  3    3  OUTLIER  -129.7   141.8  Favored     ?  ?        5   39.190     6  0.56     8  0.59  molprobity  1.000  
  4    4  t        -115.3   141.4  Favored     ?  ?        9   31.230     7  0.34    10  0.58  molprobity  1.000  
  5    5  m-85     -117.4   141.3  Favored     ?  ?        9   25.190    12  0.51    16  0.87  molprobity  1.000  
  6    6  tp       -131.4   107.8  Favored     ?  ?       11   23.590     8  0.40    11  0.55  molprobity  1.000  
  7    7  m-85      -97.3   136.6  Favored     ?  ?        9   22.570    12  0.83    17  0.52  molprobity  1.000  
  8    8  Cg_endo   -71.8   169.4  Favored     ?  ?        7   20.970     8  0.47    12  0.51  molprobity  1.000  
  9    9  Cg_exo    -63.6   158.2  Favored     ?  ?        7   24.690     8  0.31    11  0.45  molprobity  1.000  
 10   10  mtmm      -66.3   137.7  Favored     ?  ?       13   35.650     9  0.67    12  0.69  molprobity  1.000  
 11   11  Cg_exo    -52.3   -45.4  Favored     ?  ?        7   28.000     8  0.22    11  0.48  molprobity  1.000  
 12   12  tttt      -62.5   -35.8  Favored     ?  ?       13   32.500     9  0.37    11  0.68  molprobity  1.000  
 13   13  m-20      -64.4   -41.9  Favored     ?  ?        4   28.490     8  0.26    11  0.51  molprobity  1.000  
 14   14  p         -77.2   -20.4  Favored     ?  ?        7   27.640     7  0.26    10  0.80  molprobity  1.000  
 15   15  mt        -83.9   -16.0  Favored     ?  ?       11   26.050     8  0.33    11  0.56  molprobity  1.000  
 16   16  mtp      -124.9   125.8  Favored     ?  ?        9   43.640     8  0.32    10  0.61  molprobity  1.000  
 17   17  mm        -58.0   -34.8  Favored     ?  ?       11   42.020     8  0.37    11  0.42  molprobity  1.000  
 18   18  p         -64.4   -21.3  Favored     ?  ?        5   40.530     6  0.65     8  0.64  molprobity  1.000  
 19   19  mtt-85    -93.9   164.8  Favored     ?  ?       13   44.260    11  0.68    14  0.97  molprobity  1.000  
 20   20  m        -115.5    99.8  Favored     ?  ?        7   32.860     7  0.41    11  0.56  molprobity  1.000  
 21   21  Cg_endo   -72.0   148.9  Favored     ?  ?        7   29.680     8  0.68    11  0.42  molprobity  1.000  
 22   22  pt-20    -150.2   157.2  Favored     ?  ?        6   39.640     9  0.42    12  0.48  molprobity  1.000  
 23   23  t        -110.0   134.8  Favored     ?  ?        9   27.330     7  0.91    10  0.81  molprobity  1.000  
 24   24  m        -116.8   115.4  Favored     ?  ?        7   23.710     7  0.68    10  0.58  molprobity  1.000  
 25   25  t        -103.0   118.6  Favored     ?  ?        4   28.270     6  0.38     8  0.37  molprobity  1.000  
 26   26  t        -118.9   136.4  Favored     ?  ?        9   33.020     7  0.32    10  0.55  molprobity  1.000  
 27   27  t        -122.3   124.2  Favored     ?  ?        9   31.810     7  0.38    10  0.48  molprobity  1.000  
 28   28  m        -121.9   163.8  Favored     ?  ?        9   37.000     7  0.34    10  0.57  molprobity  1.000  
 29   29  m-20       63.2    31.1  Favored     ?  ?        4   47.550     8  0.27    11  0.66  molprobity  1.000  
 30   30  m         -78.3   126.6  Favored     ?  ?        9   55.480     7  0.48    10  0.70  molprobity  1.000  
 31   31  p         -75.2   158.1  Favored     ?  ?        5   59.840     6  0.25     8  0.49  molprobity  1.000  
 32   32  t-80      -65.7   -33.2  Favored     ?  ?        7   80.140    11  0.20    15  0.37  molprobity  1.000  
 33   33  mp0       -55.9   -41.3  Favored     ?  ?        6   74.730     9  0.47    12  0.42  molprobity  0.778  
 34   34  OUTLIER  -145.6    89.2  Favored     ?  ?        4   68.890     8  0.16    12  0.58  molprobity  1.000  
 35   35  Cg_endo   -80.9    -6.3  Favored     ?  ?        7   49.470     8  0.34    11  0.68  molprobity  1.000  
 36   36  tp10      -73.3   120.8  Favored     ?  ?        6   64.360     9  0.36    12  0.42  molprobity  1.000  
 37   37  t        -116.5   137.8  Favored     ?  ?        9   35.130     7  0.26    10  0.39  molprobity  1.000  
 38   38  tttp     -120.0   124.5  Favored     ?  ?       13   47.230     9  0.35    11  0.52  molprobity  1.000  
 39   39  m-85     -104.1   131.0  Favored     ?  ?        9   27.590    12  0.59    16  0.38  molprobity  1.000  
 40   40  m120     -122.4   124.6  Favored     ?  ?        6   38.500     8  0.34    11  0.43  molprobity  1.000  
 41   41  m95      -107.3   144.4  Favored     ?  ?       10   29.400    16  0.55    23  0.26  molprobity  1.000  
 42   42  m-85     -137.8   137.2  Favored     ?  ?        9   35.520    13  0.55    18  0.50  molprobity  1.000  
 43   43  t        -118.0   112.7  Favored     ?  ?        9   30.060     7  0.21    10  0.70  molprobity  1.000  
 44   44  m-20       53.4    33.4  Favored     ?  ?        4   46.180     8  0.37    11  0.58  molprobity  1.000  
 45   45  ?          89.1    -7.2  Favored     ?  ?        3   41.350     4  0.42     5  0.47  molprobity  1.000  
 46   46  t         -95.4   128.3  Favored     ?  ?        9   45.510     7  0.32    10  0.51  molprobity  1.000  
 47   47  tt0       -70.2   136.4  Favored     ?  ?        6   41.700     9  0.75    12  0.47  molprobity  1.000  
 48   48  m        -116.7   157.5  Favored     ?  ?        9   34.860     7  0.51    10  0.41  molprobity  1.000  
 49   49  m-70     -125.7    16.3  Favored     ?  ?        7   37.510    11  0.17    15  0.36  molprobity  1.000  
 50   50  p-10     -101.3    15.8  Favored     ?  ?        6   46.030     8  0.21    11  0.39  molprobity  1.000  
 51   51  ?         -78.2   144.7  Favored     ?  ?        5   43.110     5  0.18     7  0.17  molprobity  1.000  
 52   52  mttp     -105.0   126.6  Favored     ?  ?       13   50.540     9  0.39    11  0.65  molprobity  1.000  
 53   53  m        -110.7   126.1  Favored     ?  ?        7   47.420     7  0.34    10  0.39  molprobity  1.000  
 54   54  mttm      -80.9   154.1  Favored     ?  ?       13   66.690     9  0.35    12  0.48  molprobity  1.000  
 55   55  Cg_endo   -61.8   134.1  Favored     ?  ?        7  100.320     8  0.30    11  0.38  molprobity  1.000  
 56   56  mtm-85    -54.2   144.1  Favored     ?  ?       13   92.710    11  2.14    14  0.78  molprobity  1.000  
 57   57  mm-40    -119.6   134.2  Favored     ?  ?        6  115.360     9  0.42    12  0.56  molprobity  1.000  
 58   58  pm0       -84.2    60.1  Favored     ?  ?        6  131.670     9  0.59    12  0.52  molprobity  1.000  
 59   59  mt-30     -78.5   125.6  Favored     ?  ?        8  132.540     9  0.29    12  0.83  molprobity  1.000  
 60   60  t80        54.8  -106.4  Allowed     ?  ?        9  150.420    13  0.39    18  0.52  molprobity  1.000  
 61   61  p30       -92.3    87.1  Favored     ?  ?        6  126.090     8  0.49    11  0.83  molprobity  1.000  
 62   62  m          64.7   -30.3  Allowed     ?  ?        5  106.630     6  0.57     8  0.84  molprobity  1.000  
 63   63  p         -91.4   159.9  Favored     ?  ?        7   85.000     7  0.36    10  0.68  molprobity  1.000  
 64   64  m-85      -96.8   165.0  Favored     ?  ?        9   73.130    13  0.41    18  0.32  molprobity  1.000  
 65   65  mtt180   -142.1   131.0  Favored     ?  ?       13   76.050    11  0.25    14  0.42  molprobity  1.000  
 66   66  t        -127.5   135.2  Favored     ?  ?        9   42.270     7  0.26    10  0.79  molprobity  1.000  
 67   67  t        -117.4   134.0  Favored     ?  ?        9   34.790     7  0.38    10  0.67  molprobity  1.000  
 68   68  t        -123.8   128.8  Favored     ?  ?        5   31.410     6  0.33     8  0.30  molprobity  1.000  
 69   69  t        -116.2   129.8  Favored     ?  ?        9   28.630     7  0.34    10  0.50  molprobity  1.000  
 70   70  tp       -118.5   120.3  Favored     ?  ?       11   27.440     8  0.33    11  0.48  molprobity  1.000  
 71   71  m         -65.6   136.0  Favored     ?  ?        7   29.560     7  0.45    10  0.22  molprobity  1.000  
 72   72  OUTLIER  -115.4   137.6  Favored     ?  ?        9   30.790     7  0.73    10  0.54  molprobity  1.000  
 73   73  mt        -77.8   138.1  Favored     ?  ?       11   29.970     8  0.37    11  0.68  molprobity  1.000  
 74   74  m-70      -50.2   -45.6  Favored     1  ?        7   29.390    11  0.20    15  0.20  molprobity  1.000  
 75   75  pt20      -65.7   -32.1  Favored     ?  ?        8   34.400     9  0.40    12  0.51  molprobity  1.000  
 76   76  m-20      -68.0   -45.6  Favored     ?  ?        4   30.060     8  0.25    11  1.18  molprobity  1.000  
 77   77  t-105     -57.0   -51.1  Favored     ?  ?       10   23.720    16  0.53    23  0.25  molprobity  1.000  
 78   78  mt        -60.2   -37.3  Favored     ?  ?       11   28.370     8  0.32    11  0.60  molprobity  1.000  
 79   79  m-20      -79.5     8.1  Favored     ?  ?        6   29.030     8  0.33    11  0.54  molprobity  1.000  
 80   80  ?          71.3    32.5  Favored     ?  ?        3   31.750     4  0.29     5  0.52  molprobity  1.000  
 81   81  mttt      -67.7   147.0  Favored     ?  ?       13   33.550     9  0.58    11  0.57  molprobity  1.000  
 82   82  mt-10     -98.7   136.7  Favored     ?  ?        6   37.510     9  0.39    12  0.49  molprobity  1.000  
 83   83  m-85     -114.0   119.2  Favored     ?  ?        9   25.210    13  0.60    18  0.42  molprobity  1.000  
 84   84  ttmm     -114.7   123.0  Favored     ?  ?       13   40.650     9  0.42    11  0.55  molprobity  1.000  
 85   85  t        -102.3   123.9  Favored     ?  ?        4   32.600     6  0.46     8  0.48  molprobity  1.000  
 86   86  ttpt     -114.6   123.9  Favored     ?  ?       13   36.600     9  0.42    11  0.49  molprobity  1.000  
 87   87  t        -112.3   129.4  Favored     ?  ?        9   38.670     7  0.25    10  0.40  molprobity  1.000  
 88   88  m        -124.6   138.8  Favored     ?  ?        5   42.890     6  0.20     8  0.75  molprobity  1.000  
 89   89  t-20     -155.9   146.4  Favored     ?  ?        6   46.220     8  0.38    11  0.42  molprobity  1.000  
 90   90  mmtt      -61.2   -26.3  Favored     ?  ?       13   60.390     9  0.71    11  0.63  molprobity  0.600  
 91   91  ?         -80.2    -1.4  Favored     ?  ?        5   65.770     5  0.48     7  0.47  molprobity  1.000  
 92   92  mp        -94.5   135.1  Favored     ?  ?       11   62.010     8  0.33    12  1.08  molprobity  1.000  
 93   93  Cg_exo    -64.7   -33.2  Favored     ?  ?        7   66.540     8  0.23    11  0.61  molprobity  1.000  
 94   94  ?        -155.3   152.6  Favored     ?  ?        5   58.920     5  0.33     8  0.55  molprobity  1.000  
 95   95  Cg_exo    -51.2   147.1  Favored     ?  ?        7   51.080     8  0.24    11  0.38  molprobity  1.000  
 96   96  mt        -96.2   129.0  Favored     ?  ?       11   40.200     8  0.29    11  0.40  molprobity  1.000  
 97   97  mt-10    -110.5   137.1  Favored     ?  ?        6   49.550     9  0.35    12  0.49  molprobity  1.000  
 98   98  mmtp     -132.2   146.4  Favored     ?  ?       13   40.730     9  0.33    11  0.39  molprobity  1.000  
 99   99  m        -139.7   134.2  Favored     ?  ?        7   41.220     7  0.47    10  0.57  molprobity  1.000  
100  100  pt       -133.8   147.7  Favored     ?  ?       11   37.670     8  0.51    11  0.68  molprobity  1.000  
101  101  p        -155.1   175.8  Favored     ?  ?        5   28.680     6  0.52     8  0.61  molprobity  1.000  
102  102  tttt      -69.7   138.9  Favored     ?  ?       13   29.010     9  0.29    11  0.49  molprobity  1.000  
103  103  ?         -63.4   137.8  Favored     ?  ?        5   29.260     5  0.29     7  0.37  molprobity  1.000  
104  104  mttt      -85.8   143.4  Favored     ?  ?       13   46.100     9  0.31    11  0.52  molprobity  1.000  
105  105  ?         144.8   172.9  Favored     ?  ?        3   32.100     4  0.78     5  1.09  molprobity  1.000  
106  106  OUTLIER   -78.0   117.8  Favored     ?  ?        8   36.620     9  0.49    13  0.83  molprobity  1.000  
107  107  Cg_endo   -64.0   143.3  Favored     ?  ?        7   30.430     8  0.22    11  0.41  molprobity  1.000  
108  108  mmt85    -133.9   142.3  Favored     ?  ?       13   46.790    11  0.52    14  0.65  molprobity  1.000  
109  109  tt0       -80.1   132.9  Favored     ?  ?        6   35.670     9  0.63    13  0.74  molprobity  1.000  
110  110  Cg_exo    -70.8   145.9  Favored     ?  ?        7   25.510     8  0.27    11  0.54  molprobity  1.000  
111  111  mt-30    -112.1   130.3  Favored     ?  ?        8   35.550     9  0.82    12  0.84  molprobity  1.000  
112  112  t        -116.5   135.8  Favored     ?  ?        9   23.410     7  0.27    10  0.45  molprobity  1.000  
113  113  m-85     -135.6   138.3  Favored     ?  ?        9   27.820    13  0.67    18  0.51  molprobity  1.000  
114  114  p        -116.8   138.3  Favored     ?  ?        7   31.610     7  0.35    10  0.65  molprobity  1.000  
115  115  mp       -118.9   135.6  Favored     ?  ?       11   36.310     8  0.30    12  0.86  molprobity  1.000  
116  116  Cg_exo    -71.6   170.2  Favored     ?  ?        7   45.080     8  0.39    12  0.61  molprobity  1.000  
117  117  Cg_exo    -65.3   153.8  Favored     ?  ?        7   51.850     8  0.33    11  0.46  molprobity  1.000  
118  118  t         -73.7   172.7  Favored     ?  ?        5   81.120     6  0.31     8  0.38  molprobity  1.000  
119  119  ttp-105   -71.5   -48.5  Favored     ?  ?       13  105.030    11  0.25    14  0.56  molprobity  0.727  
120  120  mt-10     -75.4    21.4  Allowed     ?  ?        6  115.260     9  0.35    12  0.44  molprobity  0.600  
121  121  tt0      -130.4    -3.9  Favored     ?  ?        6  102.480     9  0.43    12  0.46  molprobity  1.000  
122  122  mmt       -74.2   -15.8  Favored     ?  ?        9   99.840     8  0.27    10  0.44  molprobity  0.813  
123  123  p        -109.1    51.0  Allowed     ?  ?        7  103.110     7  0.28    10  0.67  molprobity  1.000  
124  124  mmtt     -133.3   163.8  Favored     ?  ?       13   98.270     9  0.28    11  0.54  molprobity  1.000  
125  125  OUTLIER   -60.8   -35.4  Favored     ?  ?        6   89.280     8  0.30    11  0.54  molprobity  1.000  
126  126  mt-30    -124.8   155.1  Favored     ?  ?        8   69.210     9  0.21    12  0.47  molprobity  1.000  
127  127  m        -132.8   169.9  Favored     ?  ?        9   50.210     7  0.24    10  0.74  molprobity  1.000  
128  128  m        -129.1   144.7  Favored     ?  ?        5   39.130     6  0.45     8  0.46  molprobity  1.000  
129  129  mt       -120.3   151.4  Favored     ?  ?       11   31.930     8  0.37    11  0.70  molprobity  1.000  
130  130  m95      -124.0   133.4  Favored     ?  ?       10   40.790    16  0.54    23  0.25  molprobity  1.000  
131  131  t        -117.0   112.5  Favored     ?  ?        4   29.320     6  0.81     8  0.51  molprobity  1.000  
132  132  mp       -107.7   130.2  Favored     ?  ?       11   31.830     8  0.38    11  0.77  molprobity  1.000  
133  133  t        -132.2   136.9  Favored     ?  ?        9   19.030     7  0.63    10  0.81  molprobity  1.000  
134  134  ptpt     -153.4   177.8  Favored     ?  ?       13   28.590     9  0.39    11  0.81  molprobity  1.000  
135  135  ?          72.8    11.5  Favored     ?  ?        3   26.400     4  0.34     5  0.32  molprobity  1.000  
136  136  p90       -98.7   140.4  Favored     ?  ?        9   20.390    12  0.70    16  0.80  molprobity  1.000  
137  137  t80      -145.6   134.6  Favored     ?  Y        9   25.500    13  0.73    19  0.48  molprobity  1.000  
138  138  Cg_endo   -74.7  -171.9  Favored     ?  ?        7   19.160     8  0.27    11  0.55  molprobity  1.000  
139  139  p         -81.1   -12.2  Favored     ?  ?        5   23.990     6  0.46     8  0.42  molprobity  1.000  
140  140  m-20      -62.1   115.2  Favored     ?  ?        4   30.070     8  0.36    11  0.47  molprobity  1.000  
141  141  tt       -156.2   146.9  Favored     ?  ?       11   17.750     8  0.53    11  0.66  molprobity  1.000  
142  142  ?        -119.1   127.8  Favored     ?  ?        5   20.180     5  0.50     7  0.50  molprobity  1.000  
143  143  t        -129.6   124.6  Favored     ?  ?        9   22.570     7  0.31    10  0.54  molprobity  1.000  
144  144  mt-10    -132.4   150.0  Favored     ?  ?        6   34.870     9  0.34    12  0.45  molprobity  1.000  
145  145  m95      -112.0   147.4  Favored     ?  ?       10   24.740    16  0.39    23  0.40  molprobity  1.000  
146  146  tm-20    -160.4   146.8  Favored     ?  ?        6   40.460     9  0.67    12  0.91  molprobity  1.000  
147  147  t        -142.3   127.5  Favored     ?  ?        5   29.270     6  0.37     8  0.49  molprobity  1.000  
148  148  t30        53.2    44.6  Favored     ?  ?        6   37.810     8  0.38    11  0.47  molprobity  1.000  
149  149  ?          71.4   -11.4  Favored     ?  ?        3   33.860     4  0.40     5  0.80  molprobity  1.000  
150  150  mm-40     -88.2   125.5  Favored     ?  ?        8   46.620     9  0.40    13  0.51  molprobity  1.000  
151  151  Cg_exo    -68.8   132.9  Favored     ?  ?        7   33.610     8  0.34    11  0.55  molprobity  1.000  
152  152  mm-40     -85.7   129.7  Favored     ?  ?        6   39.330     9  0.28    12  0.77  molprobity  1.000  
153  153  m-20     -107.6    -8.5  Favored     ?  ?        6   56.460     8  0.57    11  0.67  molprobity  1.000  
154  154  t-20      -87.3    61.5  Favored     1  ?        6   47.050     8  0.66    11  0.49  molprobity  1.000  
155  155  p90      -129.2   152.8  Favored     ?  ?        9   43.760    13  0.66    18  0.58  molprobity  1.000  
156  156  mmtt     -128.3   122.2  Favored     ?  ?       13   60.400     9  0.46    11  0.62  molprobity  1.000  
157  157  m        -100.1   131.6  Favored     ?  ?        7   36.010     7  0.31    10  0.66  molprobity  1.000  
158  158  p         -72.1   158.7  Favored     ?  ?        7   34.090     7  0.50    11  0.70  molprobity  1.000  
159  159  Cg_exo    -61.1   144.1  Favored     ?  ?        7   31.440     8  0.28    12  0.68  molprobity  1.000  
160  160  Cg_exo    -52.1   130.5  Favored     ?  ?        7   26.770     8  0.37    11  0.44  molprobity  1.000  
161  161  t        -108.8   138.4  Favored     ?  ?        9   36.050     7  0.38    10  0.71  molprobity  1.000  
162  162  tp        -70.3   122.8  Favored     ?  ?       11   37.780     8  0.46    11  0.67  molprobity  1.000  
163  163  t0        -93.8   176.1  Favored     ?  ?        4   47.400     8  0.18    11  0.39  molprobity  1.000  
164  164  p         -69.1   -27.6  Favored     ?  ?        5   52.400     6  0.54     8  0.64  molprobity  1.000  
165  165  p30       -88.9     2.3  Favored     ?  ?        4   48.470     8  0.44    11  0.47  molprobity  1.000  
166  166  ?          98.8   -12.0  Favored     ?  ?        3   38.440     4  0.29     5  0.41  molprobity  1.000  
167  167  p         -87.0   178.6  Favored     ?  ?        5   27.550     6  0.24     8  0.22  molprobity  1.000  
168  168  m-85     -118.6   165.0  Favored     ?  ?        9   22.630    12  0.40    16  0.32  molprobity  1.000  
169  169  p90      -150.9   164.8  Favored     ?  ?        9   27.300    12  0.87    16  0.56  molprobity  1.000  
170  170  pp       -168.5   169.3  Favored     ?  ?       11   21.650     8  0.45    11  1.14  molprobity  1.000  
171  171  p90      -129.8   150.3  Favored     ?  ?        9   33.440    13  0.41    18  0.47  molprobity  1.000  
172  172  t        -116.8   124.9  Favored     ?  ?        5   26.150     6  0.38     8  0.87  molprobity  1.000  
173  173  ttpp     -107.8   119.2  Favored     ?  ?       13   41.300     9  0.34    11  0.33  molprobity  1.000  
174  174  tp        -99.1   134.6  Favored     ?  ?       11   29.330     8  0.38    11  0.56  molprobity  1.000  
175  175  m        -112.3   121.5  Favored     ?  ?        7   37.980     7  0.26    10  0.52  molprobity  1.000  
176  176  m        -134.0   145.4  Favored     ?  ?        9   34.270     7  0.66    10  0.71  molprobity  1.000  
177  177  m-20      -53.3   128.0  Favored     ?  ?        4   53.020     8  0.22    11  0.35  molprobity  1.000  
178  178  ttpt      -48.3   -39.1  Favored     ?  ?       13   59.070     9  0.43    11  0.52  molprobity  1.000  
179  179  OUTLIER   -46.4   -47.4  Favored     ?  ?        5   54.350     6  0.17     8  0.44  molprobity  1.000  
180  180  mtm105    -69.3   -38.8  Favored     ?  ?       13   47.640    11  0.18    14  0.59  molprobity  1.000  
181  181  t-105     -65.4   -48.7  Favored     ?  ?       10   36.850    16  0.54    23  0.39  molprobity  1.000  
182  182  mt-30     -54.8   -37.9  Favored     ?  ?        8   56.750     9  0.40    12  0.48  molprobity  1.000  
183  183  OUTLIER   -70.3    -6.4  Favored     ?  ?        8   55.340     9  0.29    12  0.60  molprobity  1.000  
184  184  ?          93.0    15.6  Favored     ?  ?        3   43.450     4  0.31     5  0.20  molprobity  1.000  
185  185  m120      -65.2   149.1  Favored     ?  ?        6   42.970     8  0.31    11  0.31  molprobity  1.000  
186  186  t        -101.3   132.7  Favored     ?  ?        9   31.300     7  0.38    10  0.65  molprobity  1.000  
187  187  m-85     -119.2   138.4  Favored     ?  ?        9   23.640    12  0.63    16  0.39  molprobity  1.000  
188  188  m        -124.2   131.8  Favored     ?  ?        5   23.680     6  0.33     8  0.68  molprobity  1.000  
189  189  t         -99.6   108.4  Favored     ?  ?        4   28.330     6  0.46     8  0.37  molprobity  1.000  
190  190  OUTLIER   -92.1   132.8  Favored     ?  ?        5   27.370     6  0.36     8  0.66  molprobity  1.000  
191  191  t        -125.1   135.0  Favored     ?  ?        9   20.080     7  0.49    10  0.52  molprobity  1.000  
192  192  mtm      -126.8   128.1  Favored     ?  ?        9   31.400     8  0.52    10  0.71  molprobity  1.000  
193  193  t60      -164.0   144.9  Favored     1  ?        7   18.770    11  0.18    15  0.41  molprobity  1.000  
194  194  pt-20     -62.3   -20.2  Favored     ?  ?        6   27.670     9  0.37    12  0.63  molprobity  1.000  
195  195  ?         -93.4    -4.3  Favored     ?  ?        5   30.980     5  0.18     7  0.43  molprobity  1.000  
196  196  mt        -82.0   148.9  Favored     ?  ?       11   28.020     8  0.34    11  0.38  molprobity  1.000  
197  197  m-70      -60.8   132.8  Favored     ?  ?        7   42.040    11  0.12    15  0.48  molprobity  1.000  
198  198  m120       55.4    21.0  Favored     ?  ?        6   34.390     8  0.43    11  0.51  molprobity  1.000  
199  199  m170       54.6    23.9  Favored     ?  ?        7   23.470    11  0.26    15  0.30  molprobity  1.000  
200  200  t80      -149.1   135.9  Favored     ?  ?        9   24.250    13  0.40    18  0.39  molprobity  1.000  
201  201  t        -144.6   165.6  Favored     ?  ?        7   25.990     7  0.56    10  0.68  molprobity  1.000  
202  202  tt0      -149.7   135.3  Favored     ?  ?        8   31.150     9  0.29    12  0.41  molprobity  1.000  
203  203  tptt     -124.1   131.3  Favored     ?  ?       13   37.790     9  0.44    11  0.38  molprobity  1.000  
204  204  m        -119.6   151.7  Favored     ?  ?        5   32.930     6  0.25     8  0.49  molprobity  1.000  
205  205  tp       -143.2   133.0  Favored     ?  ?       11   39.560     8  0.20    11  1.03  molprobity  1.000  
206  206  p        -153.2   163.0  Favored     ?  ?        5   36.420     6  0.50     8  0.49  molprobity  1.000  
207  207  tp        -72.2   129.6  Favored     ?  ?       11   52.760     8  0.44    11  1.22  molprobity  1.000  
208  208  OUTLIER       ?       ?  ?           ?  ?        5   70.380     5  0.82     5  1.22  molprobity  1.000  
209  209  ?             ?       ?  ?           ?  ?        ?   84.240     4  0.10     6  0.24  mogul       1.000  
210  210  ?             ?       ?  ?           ?  ?        ?   26.490     ?     ?     ?     ?  ?           1.000  
211  211  ?             ?       ?  ?           ?  ?        ?   30.410     ?     ?     ?     ?  ?           1.000  
212  212  ?             ?       ?  ?           ?  ?        ?   34.780     ?     ?     ?     ?  ?           1.000  
213  213  ?             ?       ?  ?           ?  ?        ?   26.950     ?     ?     ?     ?  ?           1.000  
214  214  ?             ?       ?  ?           ?  ?        ?   38.080     ?     ?     ?     ?  ?           1.000  
215  215  ?             ?       ?  ?           ?  ?        ?   24.400     ?     ?     ?     ?  ?           1.000  
216  216  ?             ?       ?  ?           ?  ?        ?   31.300     ?     ?     ?     ?  ?           1.000  
217  217  ?             ?       ?  ?           ?  ?        ?   39.650     ?     ?     ?     ?  ?           1.000  
218  218  ?             ?       ?  ?           ?  ?        ?   38.540     ?     ?     ?     ?  ?           1.000  
219  219  ?             ?       ?  ?           ?  ?        ?   23.420     ?     ?     ?     ?  ?           1.000  
220  220  ?             ?       ?  ?           ?  ?        ?   27.690     ?     ?     ?     ?  ?           1.000  
221  221  ?             ?       ?  ?           ?  ?        ?   37.930     ?     ?     ?     ?  ?           1.000  
222  222  ?             ?       ?  ?           ?  ?        ?   25.950     ?     ?     ?     ?  ?           1.000  
223  223  ?             ?       ?  ?           ?  ?        ?   45.560     ?     ?     ?     ?  ?           1.000  
224  224  ?             ?       ?  ?           ?  ?        ?   27.560     ?     ?     ?     ?  ?           1.000  
225  225  ?             ?       ?  ?           ?  ?        ?   28.730     ?     ?     ?     ?  ?           1.000  
226  226  ?             ?       ?  ?           ?  ?        ?   44.360     ?     ?     ?     ?  ?           1.000  
227  227  ?             ?       ?  ?           ?  ?        ?   33.060     ?     ?     ?     ?  ?           1.000  
228  228  ?             ?       ?  ?           ?  ?        ?   52.680     ?     ?     ?     ?  ?           1.000  
229  229  ?             ?       ?  ?           ?  ?        ?   44.880     ?     ?     ?     ?  ?           1.000  
230  230  ?             ?       ?  ?           ?  ?        ?   36.580     ?     ?     ?     ?  ?           1.000  
231  231  ?             ?       ?  ?           ?  ?        ?   30.110     ?     ?     ?     ?  ?           1.000  
232  232  ?             ?       ?  ?           ?  ?        ?   24.920     ?     ?     ?     ?  ?           1.000  
233  233  ?             ?       ?  ?           ?  ?        ?   26.810     ?     ?     ?     ?  ?           1.000  
234  234  ?             ?       ?  ?           ?  ?        ?   48.560     ?     ?     ?     ?  ?           1.000  
235  235  ?             ?       ?  ?           ?  ?        ?   31.060     ?     ?     ?     ?  ?           1.000  
236  236  ?             ?       ?  ?           ?  ?        ?   31.050     ?     ?     ?     ?  ?           1.000  
237  237  ?             ?       ?  ?           ?  ?        ?   29.150     ?     ?     ?     ?  ?           1.000  
238  238  ?             ?       ?  ?           ?  ?        ?   29.540     ?     ?     ?     ?  ?           1.000  
239  239  ?             ?       ?  ?           ?  ?        ?   31.230     ?     ?     ?     ?  ?           1.000  
240  240  ?             ?       ?  ?           ?  ?        ?   43.120     ?     ?     ?     ?  ?           1.000  
241  241  ?             ?       ?  ?           ?  ?        ?   37.750     ?     ?     ?     ?  ?           1.000  
242  242  ?             ?       ?  ?           ?  ?        ?   51.930     ?     ?     ?     ?  ?           1.000  
243  243  ?             ?       ?  ?           ?  ?        ?   41.040     ?     ?     ?     ?  ?           1.000  
244  244  ?             ?       ?  ?           ?  ?        ?   58.300     ?     ?     ?     ?  ?           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    6  HD11   1  0.63  2.29  
 2    6  HD11   2  0.42  2.02  
 3    8  HA     3  0.63  1.79  
 4   21  HG2    4  0.42  2.18  
 5   23  CG1    1  0.63  2.29  
 6   23  HG22   5  0.46  1.96  
 7   23  HG12   2  0.42  2.02  
 8   30  HG23   6  0.65  1.77  
 9   36  HB2    7  0.48  2.14  
10   54  HD2    8  0.66  1.77  
11   64  HB2    6  0.65  1.77  
12   67  HB     8  0.66  1.77  
13   72  O      4  0.42  2.18  
14  100  HD13   3  0.63  1.79  
15  100  HD11   5  0.46  1.96  
16  119  HH12   9  0.47  1.79  
17  119  NH1   10  0.45  2.31  
18  120  HG3    9  0.47  1.79  
19  120  HG3   10  0.45  2.31  
20  128  HA    11  0.40  2.20  
21  174  O     11  0.40  2.20  
22  193  HD2   12  0.74  1.36  
23  193  CD2   13  0.63  2.15  
24  195  H     12  0.74  1.36  
25  195  H     13  0.63  2.15  
26  207  O     14  0.64  1.98  
27  208  HB2   14  0.64  1.98  
28  223  O      7  0.48  2.14  
#
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   4  0.777  0.249   1.525  
  2    2   7  0.949  0.114  -0.531  
  3    3   6  0.961  0.098  -0.815  
  4    4   7  0.970  0.106  -0.903  
  5    5  11  0.960  0.192   0.566  
  6    6   8  0.971  0.127  -0.667  
  7    7  11  0.964  0.146  -0.204  
  8    8   7  0.984  0.098  -0.781  
  9    9   7  0.970  0.114  -0.531  
 10   10   9  0.973  0.155  -0.539  
 11   11   7  0.967  0.114  -0.531  
 12   12   9  0.961  0.169  -0.366  
 13   13   8  0.953  0.127  -0.503  
 14   14   7  0.976  0.141  -0.179  
 15   15   8  0.980  0.105  -1.026  
 16   16   8  0.956  0.127  -0.435  
 17   17   8  0.958  0.163  -0.048  
 18   18   6  0.954  0.113  -0.582  
 19   19  11  0.941  0.153  -0.403  
 20   20   7  0.969  0.112  -0.649  
 21   21   7  0.982  0.155   0.109  
 22   22   9  0.961  0.131  -0.717  
 23   23   7  0.958  0.134  -0.434  
 24   24   7  0.982  0.114  -0.617  
 25   25   6  0.985  0.104  -0.560  
 26   26   7  0.987  0.143  -0.283  
 27   27   7  0.967  0.136  -0.400  
 28   28   7  0.974  0.110  -0.836  
 29   29   8  0.913  0.155  -0.108  
 30   30   7  0.925  0.133  -0.451  
 31   31   6  0.961  0.130  -0.318  
 32   32  10  0.749  0.298   2.134  
 33   33   9  0.922  0.229   0.501  
 34   34   8  0.898  0.215   0.737  
 35   35   7  0.970  0.202   0.844  
 36   36   9  0.861  0.247   0.724  
 37   37   7  0.961  0.178   0.303  
 38   38   9  0.925  0.184  -0.180  
 39   39  11  0.976  0.109  -0.824  
 40   40   8  0.957  0.154  -0.088  
 41   41  14  0.962  0.104  -0.831  
 42   42  12  0.970  0.097  -0.981  
 43   43   7  0.979  0.128  -0.534  
 44   44   8  0.943  0.142  -0.292  
 45   45   4  0.959  0.085  -0.887  
 46   46   7  0.975  0.206   0.772  
 47   47   9  0.940  0.139  -0.617  
 48   48   7  0.968  0.138  -0.367  
 49   49  10  0.965  0.156  -0.002  
 50   50   8  0.968  0.193   0.485  
 51   51   5  0.949  0.125  -0.384  
 52   52   9  0.941  0.168  -0.378  
 53   53   7  0.932  0.159   0.114  
 54   54   9  0.902  0.217   0.229  
 55   55   7  0.889  0.296   2.312  
 56   56  11  0.819  0.238   0.724  
 57   57   9  0.693  0.318   1.606  
 58   58   9  0.501  0.449   3.234  
 59   59   9  0.594  0.419   3.306  
 60   60  12  0.723  0.452   5.258  
 61   61   8  0.544  0.340   2.643  
 62   62   6  0.751  0.379   3.548  
 63   63   7  0.868  0.211   0.958  
 64   64  12  0.889  0.230   1.357  
 65   65  11  0.893  0.237   0.711  
 66   66   7  0.981  0.135  -0.417  
 67   67   7  0.979  0.122  -0.635  
 68   68   6  0.965  0.078  -1.126  
 69   69   7  0.972  0.113  -0.786  
 70   70   8  0.958  0.148  -0.325  
 71   71   7  0.963  0.100  -0.844  
 72   72   7  0.956  0.122  -0.635  
 73   73   8  0.982  0.106  -1.010  
 74   74  10  0.978  0.097  -0.889  
 75   75   9  0.938  0.167  -0.122  
 76   76   8  0.976  0.093  -0.982  
 77   77  14  0.974  0.112  -0.682  
 78   78   8  0.968  0.108  -0.977  
 79   79   8  0.971  0.107  -0.778  
 80   80   4  0.954  0.119  -0.387  
 81   81   9  0.882  0.166  -0.403  
 82   82   9  0.919  0.187  -0.021  
 83   83  12  0.965  0.134  -0.330  
 84   84   9  0.955  0.185  -0.167  
 85   85   6  0.977  0.131  -0.026  
 86   86   9  0.961  0.149  -0.613  
 87   87   7  0.969  0.131  -0.484  
 88   88   6  0.956  0.091  -0.924  
 89   89   8  0.970  0.107  -0.778  
 90   90   9  0.931  0.165  -0.415  
 91   91   5  0.937  0.103  -0.741  
 92   92   8  0.886  0.167  -0.015  
 93   93   7  0.910  0.152   0.063  
 94   94   5  0.934  0.236   1.415  
 95   95   7  0.947  0.119  -0.453  
 96   96   8  0.963  0.134  -0.533  
 97   97   9  0.942  0.106  -1.027  
 98   98   9  0.893  0.170  -0.353  
 99   99   7  0.921  0.139  -0.211  
100  100   8  0.918  0.207   0.687  
101  101   6  0.957  0.138  -0.194  
102  102   9  0.960  0.129  -0.861  
103  103   5  0.977  0.120  -0.465  
104  104   9  0.929  0.189  -0.118  
105  105   4  0.914  0.139  -0.093  
106  106   9  0.938  0.147  -0.395  
107  107   7  0.979  0.111  -0.578  
108  108  11  0.906  0.178  -0.072  
109  109   9  0.960  0.122  -0.829  
110  110   7  0.973  0.117  -0.484  
111  111   9  0.918  0.152  -0.327  
112  112   7  0.975  0.109  -0.853  
113  113  12  0.963  0.114  -0.682  
114  114   7  0.963  0.099  -0.860  
115  115   8  0.967  0.197   0.475  
116  116   7  0.963  0.149   0.016  
117  117   7  0.955  0.096  -0.812  
118  118   6  0.847  0.138  -0.194  
119  119  11  0.889  0.186   0.034  
120  120   9  0.855  0.266   0.960  
121  121   9  0.820  0.224   0.439  
122  122   8  0.693  0.262   1.771  
123  123   7  0.837  0.206   0.877  
124  124   9  0.859  0.184  -0.180  
125  125   8  0.875  0.150  -0.147  
126  126   9  0.918  0.132  -0.599  
127  127   7  0.956  0.150  -0.166  
128  128   6  0.925  0.132  -0.287  
129  129   8  0.963  0.180   0.197  
130  130  14  0.969  0.123  -0.476  
131  131   6  0.989  0.100  -0.640  
132  132   8  0.959  0.198   0.491  
133  133   7  0.969  0.103  -0.953  
134  134   9  0.959  0.146  -0.651  
135  135   4  0.944  0.151   0.084  
136  136  11  0.982  0.096  -1.042  
137  137  12  0.970  0.110  -0.752  
138  138   7  0.967  0.088  -0.938  
139  139   6  0.975  0.104  -0.722  
140  140   8  0.973  0.115  -0.672  
141  141   8  0.982  0.133  -0.550  
142  142   5  0.982  0.111  -0.611  
143  143   7  0.974  0.131  -0.484  
144  144   9  0.958  0.137  -0.642  
145  145  14  0.973  0.115  -0.625  
146  146   9  0.952  0.140  -0.605  
147  147   6  0.985  0.109  -0.644  
148  148   8  0.946  0.155  -0.073  
149  149   4  0.973  0.112  -0.490  
150  150   9  0.955  0.137  -0.531  
151  151   7  0.979  0.132  -0.250  
152  152   9  0.920  0.142  -0.580  
153  153   8  0.846  0.171   0.162  
154  154   8  0.936  0.144  -0.235  
155  155  12  0.940  0.124  -0.506  
156  156   9  0.927  0.215   0.204  
157  157   7  0.959  0.153   0.016  
158  158   7  0.964  0.155   0.049  
159  159   7  0.971  0.135  -0.203  
160  160   7  0.950  0.114  -0.531  
161  161   7  0.954  0.129  -0.518  
162  162   8  0.946  0.136  -0.520  
163  163   8  0.922  0.107  -0.785  
164  164   6  0.927  0.152   0.023  
165  165   8  0.926  0.128  -0.489  
166  166   4  0.986  0.110  -0.519  
167  167   6  0.976  0.088  -0.970  
168  168  11  0.975  0.139  -0.322  
169  169  11  0.957  0.132  -0.439  
170  170   8  0.963  0.117  -0.830  
171  171  12  0.938  0.155   0.039  
172  172   6  0.970  0.136  -0.225  
173  173   9  0.954  0.167  -0.390  
174  174   8  0.968  0.147  -0.341  
175  175   7  0.965  0.123  -0.471  
176  176   7  0.960  0.129  -0.518  
177  177   8  0.937  0.125  -0.531  
178  178   9  0.936  0.157  -0.514  
179  179   6  0.934  0.142  -0.132  
180  180  11  0.957  0.112  -0.947  
181  181  14  0.967  0.122  -0.494  
182  182   9  0.874  0.176   0.000  
183  183   9  0.893  0.185   0.122  
184  184   4  0.954  0.133  -0.181  
185  185   8  0.966  0.137  -0.338  
186  186   7  0.987  0.082  -1.305  
187  187  11  0.983  0.113  -0.757  
188  188   6  0.982  0.103  -0.738  
189  189   6  0.961  0.138   0.113  
190  190   6  0.968  0.140  -0.163  
191  191   7  0.981  0.110  -0.836  
192  192   8  0.935  0.135  -0.304  
193  193  10  0.968  0.131  -0.377  
194  194   9  0.959  0.109  -0.990  
195  195   5  0.982  0.106  -0.692  
196  196   8  0.986  0.103  -1.059  
197  197  10  0.967  0.131  -0.377  
198  198   8  0.968  0.102  -0.852  
199  199  10  0.982  0.105  -0.768  
200  200  12  0.970  0.114  -0.682  
201  201   7  0.974  0.163   0.179  
202  202   9  0.977  0.114  -0.844  
203  203   9  0.944  0.195  -0.043  
204  204   6  0.971  0.124  -0.411  
205  205   8  0.891  0.210   0.687  
206  206   6  0.952  0.087  -0.986  
207  207   8  0.913  0.182   0.230  
208  208   6  0.656  0.190   0.613  
209  209   5  0.772  0.260       ?  
210  210   1  0.954  0.163       ?  
211  211   1  0.912  0.210       ?  
212  212   1  0.961  0.189       ?  
213  213   1  0.977  0.133       ?  
214  214   1  0.867  0.230       ?  
215  215   1  0.954  0.125       ?  
216  216   1  0.908  0.469       ?  
217  217   1  0.940  0.165       ?  
218  218   1  0.836  0.260       ?  
219  219   1  0.942  0.115       ?  
220  220   1  0.938  0.262       ?  
221  221   1  0.879  0.170       ?  
222  222   1  0.920  0.118       ?  
223  223   1  0.635  0.164       ?  
224  224   1  0.861  0.159       ?  
225  225   1  0.896  0.396       ?  
226  226   1  0.771  0.250       ?  
227  227   1  0.966  0.205       ?  
228  228   1  0.787  0.183       ?  
229  229   1  0.791  0.195       ?  
230  230   1  0.945  0.267       ?  
231  231   1  0.888  0.167       ?  
232  232   1  0.839  0.175       ?  
233  233   1  0.833  0.223       ?  
234  234   1  0.878  0.124       ?  
235  235   1  0.899  0.259       ?  
236  236   1  0.890  0.166       ?  
237  237   1  0.825  0.183       ?  
238  238   1  0.954  0.131       ?  
239  239   1  0.816  0.271       ?  
240  240   1  0.704  0.310       ?  
241  241   1  0.856  0.713       ?  
242  242   1  0.767  0.164       ?  
243  243   1  0.935  0.254       ?  
244  244   1  0.679  0.304       ?  
#
loop_
_pdbx_vrpt_software.ordinal
_pdbx_vrpt_software.name
_pdbx_vrpt_software.version
_pdbx_vrpt_software.success_y_or_n
1  molprobity   4.02b-467                                                             Y  
2  mogul        "1.8.5 (274361), CSD as541be (2020)"                                  Y  
3  eds          2.35.1                                                                Y  
4  dcc          '"2.27  (2023-04-10)"'                                                Y  
5  xtriage      1.13                                                                  Y  
6  percentiles  "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
