data_6FOB

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  6FOB
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    6FOB
_pdbx_vrpt_summary.PDB_deposition_date         2018-02-06
_pdbx_vrpt_summary.PDB_revision_number         4
_pdbx_vrpt_summary.PDB_revision_date           2024-01-17
_pdbx_vrpt_summary.report_creation_date        2024-01-07:22:16
_pdbx_vrpt_summary.attempted_validation_steps  molprobity,validation-pack,xtriage,eds,mogul,buster-report,percentiles,writexml,writecif,writepdf
_pdbx_vrpt_summary.ligands_for_buster_report   Y
#
loop_
_pdbx_vrpt_entity.id
_pdbx_vrpt_entity.type
_pdbx_vrpt_entity.description
1  polymer      "Vitamin D3 receptor A"  
2  polymer      "Nuclear receptor coactivator 1"  
3  non-polymer  (1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]dec-2-enylidene]cyclohexane-1,3-diol  
4  water        water  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  2  
C  3  
D  4  
E  4  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all   x-ray  
2  2.75  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  65.78  141614     ?     ?  
 2  2  1  76.66    1277  2.74  2.78  
 3  1  2  34.01  138981     ?     ?  
 4  2  2  53.46    1257  2.74  2.78  
 5  1  3  30.34  138945     ?     ?  
 6  2  3  50.04    1257  2.74  2.78  
 7  1  4  52.61  127900     ?     ?  
 8  2  4  62.22    1207  2.74  2.78  
 9  1  5  46.99  130704     ?     ?  
10  2  5  80.45    1235  2.74  2.78  
#
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   34.01  
 2  4  2  A  1  1  A   53.46  
 3  5  3  A  1  1  A   33.74  
 4  6  3  A  1  1  A   54.10  
 5  7  4  A  1  1  A   51.21  
 6  8  4  A  1  1  A   60.56  
 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    4.30  
10  6  3  B  1  2  B    6.76  
11  7  4  B  1  2  B  100.00  
12  8  4  B  1  2  B  100.00  
#
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  0.68  0.51  1941  2618  
2  1  2  B  B  0.67  0.52    78   103  
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  0.41
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       4.05
_pdbx_vrpt_summary_geometry.clashscore                     3.99
_pdbx_vrpt_summary_geometry.num_H_reduce                   2008
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 2019
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.51
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                2721
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.68
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.Babinet_b                 79.512
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            74.241
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         59.718
_pdbx_vrpt_summary_diffraction.I_over_sigma              3.41(2.76A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        9117
_pdbx_vrpt_summary_diffraction.Babinet_k                 0.003
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.348
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.485
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.318
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.957
_pdbx_vrpt_summary_diffraction.DCC_R                     0.18
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.24
_pdbx_vrpt_summary_diffraction.EDS_R                     0.19
_pdbx_vrpt_summary_diffraction.EDS_res_high              2.75
_pdbx_vrpt_summary_diffraction.EDS_res_low               24.03
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[89.944,89.944,35.421,-0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.760
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 5.00% of the height of the origin peak. No significant pseudotranslation is detected."
_pdbx_vrpt_summary_diffraction.B_factor_type             FULL
_pdbx_vrpt_summary_diffraction.acentric_outliers         0
_pdbx_vrpt_summary_diffraction.centric_outliers          1
_pdbx_vrpt_summary_diffraction.data_completeness         94.33
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      476
_pdbx_vrpt_summary_diffraction.percent_free_reflections  5.22
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     2.83
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       2.75
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        24.03
_pdbx_vrpt_summary_diffraction.PDB_R                     0.18
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.23
#
loop_
_pdbx_vrpt_model_instance.id
_pdbx_vrpt_model_instance.PDB_model_num
_pdbx_vrpt_model_instance.entity_id
_pdbx_vrpt_model_instance.label_asym_id
_pdbx_vrpt_model_instance.label_seq_id
_pdbx_vrpt_model_instance.label_comp_id
_pdbx_vrpt_model_instance.auth_asym_id
_pdbx_vrpt_model_instance.auth_seq_id
_pdbx_vrpt_model_instance.label_alt_id
_pdbx_vrpt_model_instance.PDB_ins_code
_pdbx_vrpt_model_instance.count_clashes
_pdbx_vrpt_model_instance.count_mogul_torsion_outliers
  1  1  1  A    2  MET  A  155  .  ?        ?     ?  
  2  1  1  A    3  LEU  A  156  .  ?        ?     ?  
  3  1  1  A    4  SER  A  157  .  ?        ?     ?  
  4  1  1  A    5  ASP  A  158  .  ?        ?     ?  
  5  1  1  A    6  GLU  A  159  .  ?        1     ?  
  6  1  1  A    7  GLN  A  160  .  ?        ?     ?  
  7  1  1  A    8  MET  A  161  .  ?        1     ?  
  8  1  1  A    9  GLN  A  162  .  ?        1     ?  
  9  1  1  A   10  ILE  A  163  .  ?        1     ?  
 10  1  1  A   11  ILE  A  164  .  ?        ?     ?  
 11  1  1  A   12  ASN  A  165  .  ?        ?     ?  
 12  1  1  A   13  SER  A  166  .  ?        ?     ?  
 13  1  1  A   14  LEU  A  167  .  ?        ?     ?  
 14  1  1  A   15  VAL  A  168  .  ?        ?     ?  
 15  1  1  A   16  GLU  A  169  .  ?        ?     ?  
 16  1  1  A   17  ALA  A  170  .  ?        ?     ?  
 17  1  1  A   18  HIS  A  171  .  ?        ?     ?  
 18  1  1  A   19  HIS  A  172  .  ?        ?     ?  
 19  1  1  A   20  LYS  A  173  .  ?        ?     ?  
 20  1  1  A   21  THR  A  174  .  ?        ?     ?  
 21  1  1  A   22  TYR  A  175  .  ?        ?     ?  
 22  1  1  A   23  ASP  A  176  .  ?        ?     ?  
 23  1  1  A   24  ASP  A  177  .  ?        ?     ?  
 24  1  1  A   25  SER  A  178  .  ?        ?     ?  
 25  1  1  A   26  TYR  A  179  .  ?        ?     ?  
 26  1  1  A   27  SER  A  180  .  ?        ?     ?  
 27  1  1  A   28  ASP  A  181  .  ?        ?     ?  
 28  1  1  A   29  PHE  A  182  .  ?        ?     ?  
 29  1  1  A   30  VAL  A  183  .  ?        ?     ?  
 30  1  1  A   31  ARG  A  184  .  ?        ?     ?  
 31  1  1  A   32  PHE  A  185  .  ?        ?     ?  
 32  1  1  A   33  ARG  A  186  .  ?        1     ?  
 33  1  1  A   34  PRO  A  187  .  ?        ?     ?  
 34  1  1  A   35  PRO  A  188  .  ?        ?     ?  
 35  1  1  A   36  VAL  A  189  .  ?        ?     ?  
 36  1  1  A   37  ARG  A  190  .  ?        ?     ?  
 37  1  1  A   98  ARG  A  251  .  ?        ?     ?  
 38  1  1  A   99  LEU  A  252  .  ?        ?     ?  
 39  1  1  A  100  SER  A  253  .  ?        ?     ?  
 40  1  1  A  101  MET  A  254  .  ?        1     ?  
 41  1  1  A  102  LEU  A  255  .  ?        ?     ?  
 42  1  1  A  103  PRO  A  256  .  ?        1     ?  
 43  1  1  A  104  HIS  A  257  .  ?        ?     ?  
 44  1  1  A  105  LEU  A  258  .  ?        ?     ?  
 45  1  1  A  106  ALA  A  259  .  ?        ?     ?  
 46  1  1  A  107  ASP  A  260  .  ?        ?     ?  
 47  1  1  A  108  LEU  A  261  .  ?        ?     ?  
 48  1  1  A  109  VAL  A  262  .  ?        ?     ?  
 49  1  1  A  110  SER  A  263  .  ?        ?     ?  
 50  1  1  A  111  TYR  A  264  .  ?        ?     ?  
 51  1  1  A  112  SER  A  265  .  ?        ?     ?  
 52  1  1  A  113  ILE  A  266  .  ?        1     ?  
 53  1  1  A  114  GLN  A  267  .  ?        ?     ?  
 54  1  1  A  115  LYS  A  268  .  ?        ?     ?  
 55  1  1  A  116  VAL  A  269  .  ?        ?     ?  
 56  1  1  A  117  ILE  A  270  .  ?        ?     ?  
 57  1  1  A  118  GLY  A  271  .  ?        ?     ?  
 58  1  1  A  119  PHE  A  272  .  ?        ?     ?  
 59  1  1  A  120  ALA  A  273  .  ?        ?     ?  
 60  1  1  A  121  LYS  A  274  .  ?        ?     ?  
 61  1  1  A  122  MET  A  275  .  ?        ?     ?  
 62  1  1  A  123  ILE  A  276  .  ?        ?     ?  
 63  1  1  A  124  PRO  A  277  .  ?        1     ?  
 64  1  1  A  125  GLY  A  278  .  ?        ?     ?  
 65  1  1  A  126  PHE  A  279  .  ?        ?     ?  
 66  1  1  A  127  ARG  A  280  .  ?        ?     ?  
 67  1  1  A  128  ASP  A  281  .  ?        ?     ?  
 68  1  1  A  129  LEU  A  282  .  ?        ?     ?  
 69  1  1  A  130  THR  A  283  .  ?        ?     ?  
 70  1  1  A  131  ALA  A  284  .  ?        ?     ?  
 71  1  1  A  132  GLU  A  285  .  ?        ?     ?  
 72  1  1  A  133  ASP  A  286  .  ?        ?     ?  
 73  1  1  A  134  GLN  A  287  .  ?        ?     ?  
 74  1  1  A  135  ILE  A  288  .  ?        1     ?  
 75  1  1  A  136  ALA  A  289  .  ?        ?     ?  
 76  1  1  A  137  LEU  A  290  .  ?        ?     ?  
 77  1  1  A  138  LEU  A  291  .  ?        ?     ?  
 78  1  1  A  139  LYS  A  292  .  ?        ?     ?  
 79  1  1  A  140  SER  A  293  .  ?        ?     ?  
 80  1  1  A  141  SER  A  294  .  ?        ?     ?  
 81  1  1  A  142  ALA  A  295  .  ?        ?     ?  
 82  1  1  A  143  ILE  A  296  .  ?        ?     ?  
 83  1  1  A  144  GLU  A  297  .  ?        ?     ?  
 84  1  1  A  145  ILE  A  298  .  ?        1     ?  
 85  1  1  A  146  ILE  A  299  .  ?        ?     ?  
 86  1  1  A  147  MET  A  300  .  ?        ?     ?  
 87  1  1  A  148  LEU  A  301  .  ?        ?     ?  
 88  1  1  A  149  ARG  A  302  .  ?        ?     ?  
 89  1  1  A  150  SER  A  303  .  ?        ?     ?  
 90  1  1  A  151  ASN  A  304  .  ?        ?     ?  
 91  1  1  A  152  GLN  A  305  .  ?        ?     ?  
 92  1  1  A  153  SER  A  306  .  ?        ?     ?  
 93  1  1  A  154  PHE  A  307  .  ?        ?     ?  
 94  1  1  A  155  SER  A  308  .  ?        ?     ?  
 95  1  1  A  156  LEU  A  309  .  ?        ?     ?  
 96  1  1  A  157  GLU  A  310  .  ?        ?     ?  
 97  1  1  A  158  ASP  A  311  .  ?        ?     ?  
 98  1  1  A  159  MET  A  312  .  ?        ?     ?  
 99  1  1  A  160  SER  A  313  .  ?        1     ?  
100  1  1  A  161  TRP  A  314  .  ?        ?     ?  
101  1  1  A  162  SER  A  315  .  ?        ?     ?  
102  1  1  A  163  CYS  A  316  .  ?        ?     ?  
103  1  1  A  164  GLY  A  317  .  ?        ?     ?  
104  1  1  A  165  GLY  A  318  .  ?        ?     ?  
105  1  1  A  166  PRO  A  319  .  ?        ?     ?  
106  1  1  A  167  ASP  A  320  .  ?        ?     ?  
107  1  1  A  168  PHE  A  321  .  ?        ?     ?  
108  1  1  A  169  LYS  A  322  .  ?        ?     ?  
109  1  1  A  170  TYR  A  323  .  ?        1     ?  
110  1  1  A  171  CYS  A  324  .  ?        ?     ?  
111  1  1  A  172  ILE  A  325  .  ?        3     ?  
112  1  1  A  173  ASN  A  326  .  ?        ?     ?  
113  1  1  A  174  ASP  A  327  .  ?        ?     ?  
114  1  1  A  175  VAL  A  328  .  ?        ?     ?  
115  1  1  A  176  THR  A  329  .  ?        ?     ?  
116  1  1  A  177  LYS  A  330  .  ?        ?     ?  
117  1  1  A  178  ALA  A  331  .  ?        ?     ?  
118  1  1  A  179  GLY  A  332  .  ?        ?     ?  
119  1  1  A  180  HIS  A  333  .  ?        ?     ?  
120  1  1  A  181  THR  A  334  .  ?        ?     ?  
121  1  1  A  182  LEU  A  335  .  ?        ?     ?  
122  1  1  A  183  GLU  A  336  .  ?        ?     ?  
123  1  1  A  184  LEU  A  337  .  ?        ?     ?  
124  1  1  A  185  LEU  A  338  .  ?        1     ?  
125  1  1  A  186  GLU  A  339  .  ?        ?     ?  
126  1  1  A  187  PRO  A  340  .  ?        ?     ?  
127  1  1  A  188  LEU  A  341  .  ?        ?     ?  
128  1  1  A  189  VAL  A  342  .  ?        ?     ?  
129  1  1  A  190  LYS  A  343  .  ?        ?     ?  
130  1  1  A  191  PHE  A  344  .  ?        ?     ?  
131  1  1  A  192  GLN  A  345  .  ?        ?     ?  
132  1  1  A  193  VAL  A  346  .  ?        ?     ?  
133  1  1  A  194  GLY  A  347  .  ?        ?     ?  
134  1  1  A  195  LEU  A  348  .  ?        ?     ?  
135  1  1  A  196  LYS  A  349  .  ?        ?     ?  
136  1  1  A  197  LYS  A  350  .  ?        ?     ?  
137  1  1  A  198  LEU  A  351  .  ?        ?     ?  
138  1  1  A  199  LYS  A  352  .  ?        ?     ?  
139  1  1  A  200  LEU  A  353  .  ?        ?     ?  
140  1  1  A  201  HIS  A  354  .  ?        ?     ?  
141  1  1  A  202  GLU  A  355  .  ?        ?     ?  
142  1  1  A  203  GLU  A  356  .  ?        ?     ?  
143  1  1  A  204  GLU  A  357  .  ?        ?     ?  
144  1  1  A  205  HIS  A  358  .  ?        1     ?  
145  1  1  A  206  VAL  A  359  .  ?        ?     ?  
146  1  1  A  207  LEU  A  360  .  ?        ?     ?  
147  1  1  A  208  LEU  A  361  .  ?        ?     ?  
148  1  1  A  209  MET  A  362  .  ?        ?     ?  
149  1  1  A  210  ALA  A  363  .  ?        ?     ?  
150  1  1  A  211  ILE  A  364  .  ?        2     ?  
151  1  1  A  212  CYS  A  365  .  ?        ?     ?  
152  1  1  A  213  LEU  A  366  .  ?        1     ?  
153  1  1  A  214  LEU  A  367  .  ?        1     ?  
154  1  1  A  215  SER  A  368  .  ?        ?     ?  
155  1  1  A  216  PRO  A  369  .  ?        1     ?  
156  1  1  A  217  ASP  A  370  .  ?        ?     ?  
157  1  1  A  218  ARG  A  371  .  ?        ?     ?  
158  1  1  A  219  PRO  A  372  .  ?        ?     ?  
159  1  1  A  220  GLY  A  373  .  ?        ?     ?  
160  1  1  A  221  VAL  A  374  .  ?        1     ?  
161  1  1  A  222  GLN  A  375  .  ?        ?     ?  
162  1  1  A  223  ASP  A  376  .  ?        ?     ?  
163  1  1  A  224  HIS  A  377  .  ?        ?     ?  
164  1  1  A  225  VAL  A  378  .  ?        ?     ?  
165  1  1  A  226  ARG  A  379  .  ?        ?     ?  
166  1  1  A  227  ILE  A  380  .  ?        ?     ?  
167  1  1  A  228  GLU  A  381  .  ?        ?     ?  
168  1  1  A  229  ALA  A  382  .  ?        ?     ?  
169  1  1  A  230  LEU  A  383  .  ?        ?     ?  
170  1  1  A  231  GLN  A  384  .  ?        ?     ?  
171  1  1  A  232  ASP  A  385  .  ?        ?     ?  
172  1  1  A  233  ARG  A  386  .  ?        1     ?  
173  1  1  A  234  LEU  A  387  .  ?        3     ?  
174  1  1  A  235  CYS  A  388  .  ?        ?     ?  
175  1  1  A  236  ASP  A  389  .  ?        ?     ?  
176  1  1  A  237  VAL  A  390  .  ?        ?     ?  
177  1  1  A  238  LEU  A  391  .  ?        ?     ?  
178  1  1  A  239  GLN  A  392  .  ?        ?     ?  
179  1  1  A  240  ALA  A  393  .  ?        ?     ?  
180  1  1  A  241  TYR  A  394  .  ?        ?     ?  
181  1  1  A  242  ILE  A  395  .  ?        ?     ?  
182  1  1  A  243  ARG  A  396  .  ?        ?     ?  
183  1  1  A  244  ILE  A  397  .  ?        ?     ?  
184  1  1  A  245  GLN  A  398  .  ?        ?     ?  
185  1  1  A  246  HIS  A  399  .  ?        ?     ?  
186  1  1  A  247  PRO  A  400  .  ?        ?     ?  
187  1  1  A  248  GLY  A  401  .  ?        ?     ?  
188  1  1  A  249  GLY  A  402  .  ?        ?     ?  
189  1  1  A  250  ARG  A  403  .  ?        ?     ?  
190  1  1  A  251  LEU  A  404  .  ?        ?     ?  
191  1  1  A  252  LEU  A  405  .  ?        ?     ?  
192  1  1  A  253  TYR  A  406  .  ?        ?     ?  
193  1  1  A  254  ALA  A  407  .  ?        ?     ?  
194  1  1  A  255  LYS  A  408  .  ?        ?     ?  
195  1  1  A  256  MET  A  409  .  ?        ?     ?  
196  1  1  A  257  ILE  A  410  .  ?        ?     ?  
197  1  1  A  258  GLN  A  411  .  ?        ?     ?  
198  1  1  A  259  LYS  A  412  .  ?        ?     ?  
199  1  1  A  260  LEU  A  413  .  ?        ?     ?  
200  1  1  A  261  ALA  A  414  .  ?        ?     ?  
201  1  1  A  262  ASP  A  415  .  ?        ?     ?  
202  1  1  A  263  LEU  A  416  .  ?        ?     ?  
203  1  1  A  264  ARG  A  417  .  ?        ?     ?  
204  1  1  A  265  SER  A  418  .  ?        ?     ?  
205  1  1  A  266  LEU  A  419  .  ?        ?     ?  
206  1  1  A  267  ASN  A  420  .  ?        ?     ?  
207  1  1  A  268  GLU  A  421  .  ?        ?     ?  
208  1  1  A  269  GLU  A  422  .  ?        ?     ?  
209  1  1  A  270  HIS  A  423  .  ?        ?     ?  
210  1  1  A  271  SER  A  424  .  ?        ?     ?  
211  1  1  A  272  LYS  A  425  .  ?        ?     ?  
212  1  1  A  273  GLN  A  426  .  ?        ?     ?  
213  1  1  A  274  TYR  A  427  .  ?        ?     ?  
214  1  1  A  275  ARG  A  428  .  ?        ?     ?  
215  1  1  A  276  SER  A  429  .  ?        ?     ?  
216  1  1  A  277  LEU  A  430  .  ?        ?     ?  
217  1  1  A  278  SER  A  431  .  ?        ?     ?  
218  1  1  A  279  PHE  A  432  .  ?        ?     ?  
219  1  1  A  280  GLN  A  433  .  ?        ?     ?  
220  1  1  A  281  PRO  A  434  .  ?        ?     ?  
221  1  1  A  282  GLU  A  435  .  ?        ?     ?  
222  1  1  A  283  HIS  A  436  .  ?        ?     ?  
223  1  1  A  284  SER  A  437  .  ?        ?     ?  
224  1  1  A  285  MET  A  438  .  ?        ?     ?  
225  1  1  A  286  GLN  A  439  .  ?        ?     ?  
226  1  1  A  287  LEU  A  440  .  ?        ?     ?  
227  1  1  A  288  THR  A  441  .  ?        ?     ?  
228  1  1  A  289  PRO  A  442  .  ?        ?     ?  
229  1  1  A  290  LEU  A  443  .  ?        ?     ?  
230  1  1  A  291  VAL  A  444  .  ?        ?     ?  
231  1  1  A  292  LEU  A  445  .  ?        ?     ?  
232  1  1  A  293  GLU  A  446  .  ?        ?     ?  
233  1  1  A  294  VAL  A  447  .  ?        1     ?  
234  1  1  A  295  PHE  A  448  .  ?        ?     ?  
235  1  1  A  296  GLY  A  449  .  ?        ?     ?  
236  1  1  A  297  SER  A  450  .  ?        ?     ?  
237  1  1  A  298  GLU  A  451  .  ?        ?     ?  
238  1  1  A  299  VAL  A  452  .  ?        ?     ?  
239  1  2  B    2  HIS  B  688  .  ?        ?     ?  
240  1  2  B    3  LYS  B  689  .  ?        ?     ?  
241  1  2  B    4  ILE  B  690  .  ?        ?     ?  
242  1  2  B    5  LEU  B  691  .  ?        1     ?  
243  1  2  B    6  HIS  B  692  .  ?        ?     ?  
244  1  2  B    7  ARG  B  693  .  ?        ?     ?  
245  1  2  B    8  LEU  B  694  .  ?        ?     ?  
246  1  2  B    9  LEU  B  695  .  ?        ?     ?  
247  1  2  B   10  GLN  B  696  .  ?        ?     ?  
248  1  3  C    .  DZW  A  501  .  ?        1     3  
249  1  4  D    .  HOH  A  601  .  ?        ?     ?  
250  1  4  D    .  HOH  A  602  .  ?        1     ?  
251  1  4  D    .  HOH  A  603  .  ?        ?     ?  
252  1  4  D    .  HOH  A  604  .  ?        ?     ?  
253  1  4  D    .  HOH  A  605  .  ?        ?     ?  
254  1  4  D    .  HOH  A  606  .  ?        ?     ?  
255  1  4  D    .  HOH  A  607  .  ?        ?     ?  
256  1  4  D    .  HOH  A  608  .  ?        ?     ?  
257  1  4  D    .  HOH  A  609  .  ?        ?     ?  
258  1  4  D    .  HOH  A  610  .  ?        ?     ?  
259  1  4  D    .  HOH  A  611  .  ?        ?     ?  
260  1  4  D    .  HOH  A  612  .  ?        ?     ?  
261  1  4  D    .  HOH  A  613  .  ?        ?     ?  
262  1  4  D    .  HOH  A  614  .  ?        ?     ?  
263  1  4  D    .  HOH  A  615  .  ?        ?     ?  
264  1  4  D    .  HOH  A  616  .  ?        ?     ?  
265  1  4  D    .  HOH  A  617  .  ?        ?     ?  
266  1  4  D    .  HOH  A  618  .  ?        ?     ?  
267  1  4  D    .  HOH  A  619  .  ?        ?     ?  
268  1  4  D    .  HOH  A  620  .  ?        ?     ?  
269  1  4  D    .  HOH  A  621  .  ?        ?     ?  
270  1  4  D    .  HOH  A  622  .  ?        ?     ?  
271  1  4  D    .  HOH  A  623  .  ?        ?     ?  
272  1  4  D    .  HOH  A  624  .  ?        ?     ?  
273  1  4  D    .  HOH  A  625  .  ?        ?     ?  
274  1  4  D    .  HOH  A  626  .  ?        ?     ?  
275  1  4  D    .  HOH  A  627  .  ?        ?     ?  
276  1  4  D    .  HOH  A  628  .  ?        ?     ?  
277  1  4  D    .  HOH  A  629  .  ?        ?     ?  
278  1  4  D    .  HOH  A  630  .  ?        ?     ?  
279  1  4  D    .  HOH  A  631  .  ?        ?     ?  
280  1  4  D    .  HOH  A  632  .  ?        ?     ?  
281  1  4  D    .  HOH  A  633  .  ?        ?     ?  
282  1  4  D    .  HOH  A  634  .  ?        ?     ?  
283  1  4  D    .  HOH  A  635  .  ?        ?     ?  
284  1  4  D    .  HOH  A  636  .  ?        ?     ?  
285  1  4  D    .  HOH  A  637  .  ?        ?     ?  
286  1  4  D    .  HOH  A  638  .  ?        ?     ?  
287  1  4  D    .  HOH  A  639  .  ?        ?     ?  
288  1  4  D    .  HOH  A  640  .  ?        ?     ?  
289  1  4  D    .  HOH  A  641  .  ?        ?     ?  
290  1  4  D    .  HOH  A  642  .  ?        ?     ?  
291  1  4  D    .  HOH  A  643  .  ?        ?     ?  
292  1  4  E    .  HOH  B  801  .  ?        ?     ?  
293  1  4  E    .  HOH  B  802  .  ?        ?     ?  
#
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  ptm           ?       ?  ?           8  106.310     8  0.70    10  0.86  molprobity  1.000  
  2    2  mt        -61.2   140.5  Favored    11   97.170     8  0.69    11  0.82  molprobity  1.000  
  3    3  p         -84.6   162.6  Favored     5   99.820     6  0.51     8  0.51  molprobity  1.000  
  4    4  m-20      -56.0   -46.1  Favored     4  114.150     8  0.45    11  0.53  molprobity  1.000  
  5    5  tt0       -60.3   -44.4  Favored     6  117.450     9  0.40    12  0.53  molprobity  1.000  
  6    6  mt-30     -62.5   -34.2  Favored     8   99.520     9  0.26    12  0.46  molprobity  1.000  
  7    7  ttp       -75.6   -44.6  Favored     9  102.670     8  0.72    10  0.91  molprobity  1.000  
  8    8  mt-30     -60.0   -37.8  Favored     8  114.190     9  0.55    12  0.72  molprobity  1.000  
  9    9  mp        -63.4   -43.2  Favored    11   83.110     8  0.90    11  1.07  molprobity  1.000  
 10   10  mt        -65.7   -50.2  Favored    11   71.610     8  0.46    11  0.72  molprobity  1.000  
 11   11  m-20      -51.4   -55.7  Favored     6   73.070     8  0.35    11  0.41  molprobity  1.000  
 12   12  p         -59.6   -41.4  Favored     5   73.350     6  0.56     8  0.70  molprobity  1.000  
 13   13  mt        -65.2   -51.5  Favored    11   66.180     8  0.53    11  0.66  molprobity  1.000  
 14   14  t         -55.0   -44.0  Favored     9   62.360     7  0.58    10  0.54  molprobity  1.000  
 15   15  tt0       -63.5   -41.8  Favored     6   78.980     9  0.35    12  0.53  molprobity  1.000  
 16   16  ?         -62.7   -41.3  Favored     5   62.900     5  0.69     7  0.56  molprobity  1.000  
 17   17  t60       -67.0   -45.5  Favored     7   62.840    11  0.73    15  0.63  molprobity  1.000  
 18   18  m170      -57.5   -40.4  Favored     7   69.440    11  0.37    15  0.57  molprobity  1.000  
 19   19  mttt      -69.5   -26.1  Favored    13   80.350     9  0.68    11  0.72  molprobity  1.000  
 20   20  p        -113.4     3.6  Favored     7   54.380     7  0.95    10  0.82  molprobity  1.000  
 21   21  t80      -131.5   118.8  Favored     9   55.580    13  0.30    18  0.39  molprobity  1.000  
 22   22  t0        -98.2   119.2  Favored     4   72.730     8  0.60    11  0.60  molprobity  1.000  
 23   23  m-20      -78.0    -3.8  Favored     4   77.440     8  0.52    11  0.50  molprobity  1.000  
 24   24  p         -97.6   -12.1  Favored     5   73.070     6  0.42     8  0.88  molprobity  1.000  
 25   25  m-85       45.4    40.7  Favored     9   66.230    13  0.42    18  0.54  molprobity  1.000  
 26   26  p         -69.7   -26.4  Favored     5   72.140     6  0.28     8  0.62  molprobity  1.000  
 27   27  m-20      -73.6   -14.2  Favored     4   66.140     8  0.64    11  0.66  molprobity  1.000  
 28   28  m-85      -59.6   -22.6  Favored     9   59.070    12  0.60    16  0.39  molprobity  1.000  
 29   29  m         -70.9   -18.8  Favored     9   65.690     7  0.30    10  0.58  molprobity  1.000  
 30   30  mtp180    -81.7   -15.2  Favored    13   94.910    11  0.63    14  0.44  molprobity  1.000  
 31   31  m-30      -81.5   162.2  Favored     9   57.350    12  0.56    16  0.81  molprobity  1.000  
 32   32  mtm180    -58.6   127.8  Favored    13   52.400    11  0.43    15  0.76  molprobity  1.000  
 33   33  Cg_endo   -59.0   147.9  Favored     7   62.440     8  0.67    12  0.88  molprobity  1.000  
 34   34  Cg_endo   -69.7   144.8  Favored     7   68.810     8  0.38    11  0.36  molprobity  1.000  
 35   35  t        -128.8   125.0  Favored     9   75.730     7  0.42    10  0.41  molprobity  1.000  
 36   36  mtt180        ?       ?  ?          13   94.390    10  0.23    11  0.53  molprobity  1.000  
 37   37  ttt-85        ?       ?  ?          12  120.320    11  0.40    14  0.78  molprobity  1.000  
 38   38  mt         67.8    45.9  Allowed    11   79.520     8  0.65    11  1.12  molprobity  1.000  
 39   39  p         -60.6   -30.6  Favored     5   75.340     6  0.20     8  0.46  molprobity  1.000  
 40   40  mmm       -87.5    -2.7  Favored     9   66.780     8  0.52    10  0.62  molprobity  1.000  
 41   41  tp        -64.9   -53.5  Favored    11   54.400     8  0.72    12  1.05  molprobity  1.000  
 42   42  Cg_exo    -46.7   -50.7  Favored     7   54.570     8  0.55    11  0.64  molprobity  1.000  
 43   43  t60       -60.9   -50.0  Favored     7   57.390    11  0.44    15  0.29  molprobity  1.000  
 44   44  OUTLIER   -57.0   -43.9  Favored    11   57.790     8  0.65    11  0.81  molprobity  1.000  
 45   45  ?         -62.2   -45.8  Favored     5   50.550     5  0.41     7  0.43  molprobity  1.000  
 46   46  m-20      -62.8   -41.9  Favored     4   49.780     8  0.32    11  0.51  molprobity  1.000  
 47   47  tp        -62.6   -49.2  Favored    11   51.170     8  0.54    11  0.61  molprobity  1.000  
 48   48  t         -64.9   -36.9  Favored     9   49.770     7  0.70    10  0.84  molprobity  1.000  
 49   49  t         -65.7   -46.0  Favored     5   50.320     6  0.48     8  0.74  molprobity  1.000  
 50   50  t80       -59.3   -46.4  Favored     9   52.890    13  0.37    18  0.64  molprobity  1.000  
 51   51  m         -65.1   -35.6  Favored     5   54.560     6  0.96     8  0.70  molprobity  1.000  
 52   52  mt        -60.7   -44.8  Favored    11   51.500     8  0.71    11  0.70  molprobity  1.000  
 53   53  mt-30     -58.3   -43.3  Favored     8   54.310     9  0.35    12  0.39  molprobity  1.000  
 54   54  mmtp      -67.7   -37.6  Favored    13   63.620     9  0.66    11  0.94  molprobity  1.000  
 55   55  t         -64.7   -39.8  Favored     9   54.160     7  1.07    10  0.82  molprobity  1.000  
 56   56  mt        -62.4   -47.1  Favored    11   55.130     8  0.74    11  0.53  molprobity  1.000  
 57   57  ?         -56.8   -48.9  Favored     3   57.390     4  0.46     5  0.61  molprobity  1.000  
 58   58  t80       -59.1   -50.7  Favored     9   58.250    12  0.46    16  0.43  molprobity  1.000  
 59   59  ?         -54.9   -51.3  Favored     5   61.560     5  0.40     7  0.52  molprobity  1.000  
 60   60  mtpt      -48.2   -22.9  Allowed    13   73.140     9  0.40    11  0.51  molprobity  1.000  
 61   61  mtm      -104.2    -9.2  Favored     9   76.540     8  0.78    10  0.71  molprobity  1.000  
 62   62  mt        -62.2   118.8  Favored    11   70.810     8  0.36    12  0.98  molprobity  1.000  
 63   63  Cg_endo   -52.6   121.8  Favored     7   82.060     8  0.48    11  0.46  molprobity  1.000  
 64   64  ?          98.5   -17.9  Favored     3   83.970     4  0.22     5  0.74  molprobity  1.000  
 65   65  t80       -64.8   -42.0  Favored     9   76.830    12  0.45    16  0.38  molprobity  1.000  
 66   66  OUTLIER   -62.8   -22.5  Favored    13  110.730    11  0.62    14  0.71  molprobity  1.000  
 67   67  m-20      -85.0   -16.3  Favored     4  103.730     8  0.33    11  0.51  molprobity  1.000  
 68   68  mt        -68.7   167.4  Favored    11   86.070     8  0.61    11  0.52  molprobity  1.000  
 69   69  p         -72.8   153.9  Favored     7   84.540     7  0.55    10  0.55  molprobity  1.000  
 70   70  ?         -55.0   -35.5  Favored     5   76.520     5  0.27     7  0.95  molprobity  1.000  
 71   71  mp0       -61.8   -49.2  Favored     6   95.310     9  0.61    12  0.56  molprobity  1.000  
 72   72  m-20      -69.5   -37.6  Favored     4   85.100     8  0.31    11  0.54  molprobity  1.000  
 73   73  mt-30     -61.4   -43.2  Favored     8   72.310     9  0.40    12  0.55  molprobity  1.000  
 74   74  mt        -68.6   -44.1  Favored    11   62.670     8  0.42    11  0.63  molprobity  1.000  
 75   75  ?         -55.6   -46.9  Favored     5   69.560     5  0.26     7  0.63  molprobity  1.000  
 76   76  mt        -71.7   -43.0  Favored    11   70.670     8  0.49    11  0.34  molprobity  1.000  
 77   77  OUTLIER   -61.5   -47.1  Favored    11   68.530     8  0.51    11  0.75  molprobity  1.000  
 78   78  mtpt      -59.5   -54.1  Favored    13   66.440     9  0.32    11  0.47  molprobity  1.000  
 79   79  p         -71.6   -32.7  Favored     5   74.640     6  0.23     8  0.94  molprobity  1.000  
 80   80  p         -92.9   -16.5  Favored     5   68.080     6  0.56     8  0.85  molprobity  1.000  
 81   81  ?         -36.9   -58.7  Allowed     5   59.500     5  0.71     7  0.71  molprobity  1.000  
 82   82  tp        -63.0   -32.5  Favored    11   61.890     8  0.44    11  0.82  molprobity  1.000  
 83   83  mt-10     -70.3   -38.7  Favored     6   71.800     9  0.44    12  0.35  molprobity  1.000  
 84   84  mm        -66.7   -44.1  Favored    11   62.360     8  0.58    11  0.77  molprobity  1.000  
 85   85  mt        -58.3   -40.5  Favored    11   55.480     8  0.61    11  0.54  molprobity  1.000  
 86   86  mtt       -67.2   -40.5  Favored     9   63.490     8  0.44    10  0.55  molprobity  1.000  
 87   87  mt        -65.2   -53.7  Favored    11   59.420     8  0.34    11  0.66  molprobity  1.000  
 88   88  ptm180    -62.0   -33.4  Favored    13   55.170    11  0.37    14  0.87  molprobity  1.000  
 89   89  p         -66.6   -15.4  Favored     5   58.800     6  0.29     8  0.71  molprobity  1.000  
 90   90  t-20      -61.6   -34.4  Favored     6   68.790     8  0.37    11  0.70  molprobity  1.000  
 91   91  mt-30     -54.0   -32.9  Favored     8   72.140     9  0.55    12  0.61  molprobity  1.000  
 92   92  p         -96.8   -16.8  Favored     5   67.290     6  0.42     8  0.38  molprobity  1.000  
 93   93  t80       -65.9   137.2  Favored     9   79.720    12  0.37    16  0.46  molprobity  1.000  
 94   94  t        -123.4   134.4  Favored     5   87.760     6  0.18     8  0.37  molprobity  1.000  
 95   95  mt        -74.7   -32.3  Favored    11   99.750     8  0.36    11  0.62  molprobity  1.000  
 96   96  mt-10     -59.6   -39.9  Favored     6  127.430     9  0.32    12  0.50  molprobity  1.000  
 97   97  p30      -124.7     6.8  Favored     4  110.360     8  0.38    11  0.81  molprobity  1.000  
 98   98  mmm        52.7    40.7  Favored     9   99.230     8  0.46    10  0.68  molprobity  1.000  
 99   99  p        -141.0   162.0  Favored     5   85.860     6  0.46     8  0.83  molprobity  1.000  
100  100  m-90      -94.4   108.4  Favored    10   70.500    16  0.30    23  0.67  molprobity  1.000  
101  101  m         -99.2   111.0  Favored     5   83.370     6  0.24     8  0.50  molprobity  1.000  
102  102  m        -114.9     5.2  Favored     5   79.610     6  0.54     8  0.62  molprobity  1.000  
103  103  ?         171.1  -147.6  Favored     3   99.460     4  0.28     5  0.73  molprobity  1.000  
104  104  ?         -62.9  -139.6  OUTLIER     3  107.570     4  0.26     6  0.29  molprobity  1.000  
105  105  Cg_endo   -71.9   -30.2  Favored     7  111.390     8  0.47    11  0.88  molprobity  1.000  
106  106  m-20      -69.6   -45.9  Favored     4   96.080     8  0.50    11  0.64  molprobity  1.000  
107  107  m-85      -99.3    19.2  Favored     9   76.280    12  0.62    16  0.49  molprobity  1.000  
108  108  ttpt      -90.7   108.0  Favored    13  104.860     9  0.45    11  1.18  molprobity  1.000  
109  109  m-85     -103.0   111.0  Favored     9   71.680    13  0.53    18  0.64  molprobity  1.000  
110  110  p         -94.3   174.3  Favored     5   97.750     6  0.30     8  0.47  molprobity  1.000  
111  111  tp        -68.3   -27.9  Favored    11  103.440     8  0.77    11  0.73  molprobity  1.000  
112  112  t-20      -64.9   -23.1  Favored     6  113.730     8  0.51    11  0.43  molprobity  1.000  
113  113  m-20      -68.7   -41.4  Favored     4   93.850     8  0.28    11  0.31  molprobity  1.000  
114  114  t         -70.9   -21.6  Favored     9   89.610     7  0.75    10  0.68  molprobity  1.000  
115  115  m         -66.9   -42.1  Favored     7   97.870     7  0.55    10  0.75  molprobity  1.000  
116  116  mtmt      -76.4     8.5  Favored    13  101.030     9  0.37    11  0.64  molprobity  1.000  
117  117  ?        -121.3    17.8  Favored     5   69.580     5  0.31     7  0.55  molprobity  1.000  
118  118  ?          85.0     7.5  Favored     3   71.610     4  0.24     5  0.83  molprobity  1.000  
119  119  m-70     -111.4   155.2  Favored     7   70.480    11  0.28    15  0.62  molprobity  1.000  
120  120  p        -105.1   170.8  Favored     7   88.760     7  0.43    10  0.60  molprobity  1.000  
121  121  OUTLIER   -62.7   -24.4  Favored    11   95.310     8  0.58    11  0.75  molprobity  1.000  
122  122  tt0       -59.7   -28.8  Favored     6  109.820     9  0.27    12  0.47  molprobity  1.000  
123  123  tp        -96.6   -42.0  Favored    11   79.400     8  0.42    11  0.66  molprobity  1.000  
124  124  mt        -69.9   -40.0  Favored    11   88.290     8  0.34    11  0.75  molprobity  1.000  
125  125  tt0       -60.0   -54.4  Favored     6  116.660     9  0.64    13  0.98  molprobity  1.000  
126  126  Cg_exo    -66.5   -26.0  Favored     7   89.550     8  0.47    11  0.52  molprobity  1.000  
127  127  tp        -65.2   -53.0  Favored    11   74.440     8  0.56    11  0.70  molprobity  1.000  
128  128  t         -59.9   -45.7  Favored     9   80.620     7  0.48    10  0.92  molprobity  1.000  
129  129  tptt      -57.4   -43.3  Favored    13  106.760     9  0.71    11  0.74  molprobity  1.000  
130  130  t80       -66.1   -42.3  Favored     9   75.320    12  0.67    16  0.35  molprobity  1.000  
131  131  mm-40     -59.5   -43.1  Favored     8   77.770     9  0.39    12  0.69  molprobity  1.000  
132  132  t         -68.8   -39.3  Favored     9   88.610     7  0.53    10  0.42  molprobity  1.000  
133  133  ?         -62.5   -47.9  Favored     3   89.080     4  0.42     5  0.97  molprobity  1.000  
134  134  tp        -63.4   -48.1  Favored    11   78.420     8  0.61    11  0.45  molprobity  1.000  
135  135  tptt      -58.2   -47.7  Favored    13   80.910     9  0.55    11  0.56  molprobity  1.000  
136  136  mttt      -55.2   -23.2  Favored    13   91.390     9  0.48    11  0.56  molprobity  1.000  
137  137  mt        -72.1    -8.6  Favored    11   77.800     8  0.49    11  0.87  molprobity  1.000  
138  138  mttm       38.5    52.3  Allowed    13  100.100     9  0.52    11  0.49  molprobity  1.000  
139  139  mt        -59.0   149.4  Favored    11   77.660     8  0.54    11  0.88  molprobity  1.000  
140  140  m170      -81.6   158.6  Favored     7   78.670    11  0.21    15  0.82  molprobity  1.000  
141  141  tt0       -52.6   -38.2  Favored     6   79.320     9  0.59    12  1.05  molprobity  1.000  
142  142  mp0       -65.5   -42.7  Favored     6   72.010     9  0.51    12  0.94  molprobity  1.000  
143  143  mt-10     -68.6   -46.2  Favored     6   78.630     9  0.20    12  0.97  molprobity  1.000  
144  144  t-80      -61.8   -41.8  Favored     7   68.950    11  0.42    15  0.33  molprobity  1.000  
145  145  OUTLIER   -68.0   -42.1  Favored     9   68.990     7  0.65    10  1.07  molprobity  1.000  
146  146  mt        -66.8   -45.1  Favored    11   73.490     8  0.60    11  0.60  molprobity  1.000  
147  147  tp        -58.3   -39.7  Favored    11   68.140     8  0.51    11  0.43  molprobity  1.000  
148  148  mtm       -64.1   -44.1  Favored     9   61.500     8  0.51    10  0.33  molprobity  1.000  
149  149  ?         -67.3   -32.7  Favored     5   64.860     5  0.79     7  0.80  molprobity  1.000  
150  150  mm        -66.5   -52.0  Favored    11   72.850     8  0.97    11  1.22  molprobity  1.000  
151  151  t         -52.2   -55.7  Favored     5   68.850     6  0.38     8  0.56  molprobity  1.000  
152  152  OUTLIER   -55.9   -35.1  Favored    11   67.090     8  0.68    11  1.17  molprobity  1.000  
153  153  mt        -98.5    29.9  Favored    11   79.150     8  0.58    11  0.56  molprobity  1.000  
154  154  m         -72.6   121.0  Favored     5   80.010     6  0.39     9  0.68  molprobity  1.000  
155  155  Cg_endo   -67.3   -35.6  Favored     7   89.980     8  0.56    11  0.78  molprobity  1.000  
156  156  p-10      -68.7    64.7  Allowed     4  100.740     8  0.52    11  0.75  molprobity  1.000  
157  157  mmt180   -133.2   150.3  Favored    13   77.780    11  0.39    15  0.96  molprobity  1.000  
158  158  Cg_exo    -69.4   133.0  Favored     7   85.470     8  0.31    11  0.50  molprobity  1.000  
159  159  ?         101.9   -19.9  Favored     3   89.870     4  0.31     5  0.67  molprobity  1.000  
160  160  m         -63.6   140.5  Favored     9   92.590     7  0.43    10  0.56  molprobity  1.000  
161  161  tp60     -110.1   -48.8  Favored     8  120.340     9  0.46    12  0.76  molprobity  1.000  
162  162  t0        -95.4    61.0  Favored     4  107.710     8  0.45    11  0.64  molprobity  1.000  
163  163  p80       -67.3     3.3  Allowed     7  114.820    11  0.44    15  0.48  molprobity  1.000  
164  164  m         -99.8   -34.9  Favored     9  118.910     7  0.35    10  0.75  molprobity  1.000  
165  165  ttt180    -78.3   -38.1  Favored    13  125.220    11  0.30    14  0.80  molprobity  1.000  
166  166  mt        -66.5   -42.5  Favored    11   95.570     8  0.81    11  0.70  molprobity  1.000  
167  167  tt0       -63.3   -37.8  Favored     6  113.780     9  0.41    12  0.69  molprobity  1.000  
168  168  ?         -62.4   -51.7  Favored     5   97.800     5  0.63     7  0.54  molprobity  1.000  
169  169  mt        -61.2   -41.1  Favored    11   88.500     8  0.29    11  0.46  molprobity  1.000  
170  170  tt0       -65.2   -42.8  Favored     8   88.250     9  0.40    12  0.40  molprobity  1.000  
171  171  m-20      -66.7   -39.4  Favored     4  104.470     8  0.50    11  0.54  molprobity  1.000  
172  172  OUTLIER   -60.3   -43.8  Favored    13  114.160    11  0.60    14  1.10  molprobity  1.000  
173  173  mp        -71.4   -35.5  Favored    11   77.450     8  0.67    11  1.23  molprobity  1.000  
174  174  m         -64.3   -38.9  Favored     5   88.950     6  0.48     8  0.35  molprobity  1.000  
175  175  m-20      -66.9   -38.1  Favored     4  101.390     8  0.30    11  0.58  molprobity  1.000  
176  176  t         -61.8   -48.4  Favored     9   84.940     7  0.34    10  0.60  molprobity  1.000  
177  177  tp        -61.0   -51.0  Favored    11   85.130     8  0.30    11  0.76  molprobity  1.000  
178  178  tt0       -57.2   -40.6  Favored     8  109.270     9  0.27    12  0.83  molprobity  1.000  
179  179  ?         -74.3   -40.7  Favored     5   89.310     5  0.34     7  0.53  molprobity  1.000  
180  180  t80       -59.4   -46.3  Favored     9   83.120    13  0.33    18  0.50  molprobity  1.000  
181  181  mt        -62.7   -44.1  Favored    11   87.310     8  0.69    11  0.67  molprobity  1.000  
182  182  ttm180    -59.7   -62.9  Allowed    13  103.990    11  0.63    14  0.86  molprobity  1.000  
183  183  mm        -64.8   -41.9  Favored    11   98.220     8  0.68    11  0.95  molprobity  1.000  
184  184  mm100    -116.4    -4.8  Favored     8   99.220     9  0.40    12  1.16  molprobity  1.000  
185  185  t-160    -118.0   103.6  Favored     7   94.840    11  0.41    16  0.43  molprobity  1.000  
186  186  Cg_exo    -70.2   136.4  Favored     7  106.140     8  0.30    11  0.57  molprobity  1.000  
187  187  ?          72.1    20.5  Favored     3  114.760     4  0.24     5  0.24  molprobity  1.000  
188  188  ?         -91.0     7.8  Favored     3  108.570     4  0.28     5  0.98  molprobity  1.000  
189  189  OUTLIER   -42.3   -25.8  Allowed    13  125.530    11  0.46    14  0.58  molprobity  1.000  
190  190  mt       -120.1   -18.2  Favored    11  109.120     8  0.34    11  0.92  molprobity  1.000  
191  191  tp        -43.4   -53.2  Favored    11   90.770     8  0.47    11  0.81  molprobity  1.000  
192  192  t80       -49.7   -51.1  Favored     9   91.560    13  0.41    18  0.46  molprobity  1.000  
193  193  ?         -56.2   -49.2  Favored     5   91.090     5  0.56     7  0.86  molprobity  1.000  
194  194  mttt      -56.2   -40.6  Favored    13   94.820     9  0.44    11  0.59  molprobity  1.000  
195  195  mtp       -67.4   -47.4  Favored     9   80.060     8  0.54    10  0.47  molprobity  1.000  
196  196  mm        -59.4   -38.9  Favored    11   90.150     8  0.99    11  0.63  molprobity  1.000  
197  197  tp60      -65.4   -27.6  Favored     8  112.680     9  0.57    12  0.68  molprobity  1.000  
198  198  mmtm      -68.5   -23.0  Favored    13   89.590     9  0.31    11  0.36  molprobity  1.000  
199  199  mt        -73.2   -34.1  Favored    11   80.590     8  0.32    11  0.53  molprobity  1.000  
200  200  ?         -67.3   -39.1  Favored     5   86.770     5  0.51     7  0.65  molprobity  1.000  
201  201  m-20      -60.6   -45.4  Favored     4   89.010     8  0.55    11  0.72  molprobity  1.000  
202  202  mt        -59.9   -34.7  Favored    11   71.470     8  0.62    11  0.62  molprobity  1.000  
203  203  mmt85     -65.9   -39.3  Favored    13   85.770    11  0.54    14  0.73  molprobity  1.000  
204  204  m         -64.5   -46.0  Favored     5   80.310     6  0.53     8  0.52  molprobity  1.000  
205  205  mt        -63.2   -39.4  Favored    11   69.660     8  0.57    11  0.63  molprobity  1.000  
206  206  t-20      -65.1   -47.7  Favored     6   67.660     8  0.42    11  0.74  molprobity  1.000  
207  207  tp10      -56.1   -52.7  Favored     6   87.240     9  0.41    12  0.37  molprobity  1.000  
208  208  tp10      -59.7   -39.5  Favored     6   87.920     9  0.48    12  0.65  molprobity  1.000  
209  209  t-80      -62.3   -47.5  Favored     7   68.250    11  0.36    15  0.65  molprobity  1.000  
210  210  m         -52.5   -45.6  Favored     5   75.860     6  0.49     8  0.65  molprobity  1.000  
211  211  mtmt      -61.7   -54.5  Favored    13   84.780     9  0.46    11  0.74  molprobity  1.000  
212  212  mt-30     -60.7   -33.6  Favored     8   75.990     9  0.41    12  0.91  molprobity  1.000  
213  213  t80       -72.4   -40.5  Favored     9   59.230    13  0.40    18  0.37  molprobity  1.000  
214  214  ttm-85    -62.1   -40.4  Favored    13   78.200    11  0.40    14  0.50  molprobity  1.000  
215  215  m         -61.1   -46.6  Favored     5   85.510     6  0.34     8  0.62  molprobity  1.000  
216  216  tp        -66.6   -50.4  Favored    11   75.640     8  0.51    11  0.92  molprobity  1.000  
217  217  p         -63.9   -29.7  Favored     5   75.300     6  0.29     8  0.65  molprobity  1.000  
218  218  m-30      -71.2   -18.6  Favored     9   84.490    12  0.55    16  0.62  molprobity  1.000  
219  219  mt-30     -96.3   106.3  Favored     8   89.240     9  0.76    13  0.34  molprobity  1.000  
220  220  Cg_exo    -54.1   -36.2  Favored     7   59.840     8  0.27    11  0.64  molprobity  1.000  
221  221  pm0       -59.4   -24.7  Favored     6   75.010     9  0.62    12  0.81  molprobity  1.000  
222  222  m-70      -96.6   -42.6  Favored     7   67.250    11  0.46    15  0.42  molprobity  1.000  
223  223  p         -64.4   -24.9  Favored     5   57.420     6  0.79     8  0.73  molprobity  1.000  
224  224  ptm       -68.6   -15.8  Favored     9   57.970     8  0.40    10  0.67  molprobity  1.000  
225  225  mm100     -90.0   -15.7  Favored     8   65.200     9  0.41    12  0.46  molprobity  1.000  
226  226  mt        -77.3   176.2  Favored    11   51.070     8  0.44    11  0.26  molprobity  1.000  
227  227  p        -109.6   151.3  Favored     7   49.480     7  0.70    11  0.74  molprobity  1.000  
228  228  Cg_exo    -45.1   -37.9  Favored     7   50.800     8  0.83    11  0.49  molprobity  1.000  
229  229  tp        -69.2   -46.1  Favored    11   48.110     8  0.75    11  0.75  molprobity  1.000  
230  230  t         -58.5   -50.5  Favored     9   51.120     7  0.77    10  0.69  molprobity  1.000  
231  231  mt        -54.6   -43.0  Favored    11   51.550     8  0.69    11  0.77  molprobity  1.000  
232  232  tt0       -76.0   -40.3  Favored     6   60.450     9  0.35    12  0.56  molprobity  1.000  
233  233  t         -69.7   -42.4  Favored     9   52.170     7  0.69    10  0.59  molprobity  1.000  
234  234  m-85      -95.7    -4.6  Favored     9   57.660    12  0.24    16  0.36  molprobity  1.000  
235  235  ?         -75.6   161.4  Favored     3   69.890     4  0.41     5  0.64  molprobity  1.000  
236  236  m         -80.6    -7.7  Favored     5   88.400     6  0.70     8  1.19  molprobity  1.000  
237  237  ?         -52.4   131.7  Favored     2   88.620     5  0.81     7  0.91  molprobity  1.000  
238  238  ?             ?       ?  ?           2  108.300     4  0.53     4  0.51  molprobity  1.000  
239  239  m80           ?       ?  ?           6   81.300    11  0.44    15  0.57  molprobity  1.000  
240  240  pttm      -55.1   -51.1  Favored    13   65.010     9  0.46    11  0.64  molprobity  0.556  
241  241  mm        -62.7   -54.7  Favored    11   58.550     8  0.68    11  1.12  molprobity  1.000  
242  242  mt        -52.2   -38.8  Favored    11   61.730     8  0.33    11  0.43  molprobity  1.000  
243  243  m80       -65.6   -46.5  Favored     7   75.910    11  0.53    15  0.45  molprobity  1.000  
244  244  OUTLIER   -61.0   -48.9  Favored    13   79.180    11  0.29    14  0.41  molprobity  1.000  
245  245  mt        -61.1   -33.1  Favored    11   60.880     8  0.47    11  0.54  molprobity  1.000  
246  246  mt        -85.7    31.6  Allowed    11   71.930     8  0.64    11  0.96  molprobity  1.000  
247  247  ?             ?       ?  ?           2   86.540     4  0.96     4  0.70  molprobity  1.000  
248  248  ?             ?       ?  ?           ?   66.390    34  0.26    42  0.54  mogul       1.000  
249  249  ?             ?       ?  ?           ?   67.190     ?     ?     ?     ?  ?           1.000  
250  250  ?             ?       ?  ?           ?   49.660     ?     ?     ?     ?  ?           1.000  
251  251  ?             ?       ?  ?           ?   49.350     ?     ?     ?     ?  ?           1.000  
252  252  ?             ?       ?  ?           ?   70.920     ?     ?     ?     ?  ?           1.000  
253  253  ?             ?       ?  ?           ?   74.060     ?     ?     ?     ?  ?           1.000  
254  254  ?             ?       ?  ?           ?   70.240     ?     ?     ?     ?  ?           1.000  
255  255  ?             ?       ?  ?           ?   97.450     ?     ?     ?     ?  ?           1.000  
256  256  ?             ?       ?  ?           ?   71.260     ?     ?     ?     ?  ?           1.000  
257  257  ?             ?       ?  ?           ?   72.290     ?     ?     ?     ?  ?           1.000  
258  258  ?             ?       ?  ?           ?   64.750     ?     ?     ?     ?  ?           1.000  
259  259  ?             ?       ?  ?           ?   65.410     ?     ?     ?     ?  ?           1.000  
260  260  ?             ?       ?  ?           ?   69.050     ?     ?     ?     ?  ?           1.000  
261  261  ?             ?       ?  ?           ?   68.840     ?     ?     ?     ?  ?           1.000  
262  262  ?             ?       ?  ?           ?   58.120     ?     ?     ?     ?  ?           1.000  
263  263  ?             ?       ?  ?           ?   66.710     ?     ?     ?     ?  ?           1.000  
264  264  ?             ?       ?  ?           ?   76.790     ?     ?     ?     ?  ?           1.000  
265  265  ?             ?       ?  ?           ?   61.150     ?     ?     ?     ?  ?           1.000  
266  266  ?             ?       ?  ?           ?   66.690     ?     ?     ?     ?  ?           1.000  
267  267  ?             ?       ?  ?           ?   75.760     ?     ?     ?     ?  ?           1.000  
268  268  ?             ?       ?  ?           ?   65.450     ?     ?     ?     ?  ?           1.000  
269  269  ?             ?       ?  ?           ?   63.020     ?     ?     ?     ?  ?           1.000  
270  270  ?             ?       ?  ?           ?   53.770     ?     ?     ?     ?  ?           1.000  
271  271  ?             ?       ?  ?           ?   54.320     ?     ?     ?     ?  ?           1.000  
272  272  ?             ?       ?  ?           ?   52.670     ?     ?     ?     ?  ?           1.000  
273  273  ?             ?       ?  ?           ?   75.160     ?     ?     ?     ?  ?           1.000  
274  274  ?             ?       ?  ?           ?   54.100     ?     ?     ?     ?  ?           1.000  
275  275  ?             ?       ?  ?           ?   69.490     ?     ?     ?     ?  ?           1.000  
276  276  ?             ?       ?  ?           ?   70.530     ?     ?     ?     ?  ?           1.000  
277  277  ?             ?       ?  ?           ?   66.440     ?     ?     ?     ?  ?           1.000  
278  278  ?             ?       ?  ?           ?   81.530     ?     ?     ?     ?  ?           1.000  
279  279  ?             ?       ?  ?           ?   59.190     ?     ?     ?     ?  ?           1.000  
280  280  ?             ?       ?  ?           ?   81.860     ?     ?     ?     ?  ?           1.000  
281  281  ?             ?       ?  ?           ?   59.510     ?     ?     ?     ?  ?           1.000  
282  282  ?             ?       ?  ?           ?   75.200     ?     ?     ?     ?  ?           1.000  
283  283  ?             ?       ?  ?           ?   83.490     ?     ?     ?     ?  ?           1.000  
284  284  ?             ?       ?  ?           ?   83.400     ?     ?     ?     ?  ?           1.000  
285  285  ?             ?       ?  ?           ?   86.680     ?     ?     ?     ?  ?           1.000  
286  286  ?             ?       ?  ?           ?   75.600     ?     ?     ?     ?  ?           1.000  
287  287  ?             ?       ?  ?           ?   70.500     ?     ?     ?     ?  ?           1.000  
288  288  ?             ?       ?  ?           ?   74.610     ?     ?     ?     ?  ?           1.000  
289  289  ?             ?       ?  ?           ?   60.030     ?     ?     ?     ?  ?           1.000  
290  290  ?             ?       ?  ?           ?   68.720     ?     ?     ?     ?  ?           1.000  
291  291  ?             ?       ?  ?           ?   62.190     ?     ?     ?     ?  ?           1.000  
292  292  ?             ?       ?  ?           ?   65.980     ?     ?     ?     ?  ?           1.000  
293  293  ?             ?       ?  ?           ?   97.060     ?     ?     ?     ?  ?           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    5  O      1  0.52  2.10  
 2    7  HE1    2  0.42  2.02  
 3    8  HG3    2  0.42  2.02  
 4    9  HD13   1  0.52  2.10  
 5   32  HD2    3  0.42  1.99  
 6   40  HB3    4  0.47  2.45  
 7   42  HB3    3  0.42  1.99  
 8   52  HG21   5  0.49  1.94  
 9   63  HB2    6  0.40  1.86  
10   74  HG23   7  0.42  2.01  
11   84  HG13   8  0.42  2.02  
12   99  HB2    9  0.43  2.18  
13  109  O      9  0.43  2.18  
14  111  HD12  10  0.41  1.87  
15  111  HA    10  0.41  1.87  
16  111  HD11  11  0.41  2.02  
17  124  HD22  11  0.41  2.02  
18  144  HE1   12  0.45  1.99  
19  150  CD1   13  0.55  2.37  
20  150  HD13  14  0.40  2.03  
21  152  HD22   8  0.42  2.02  
22  153  HD12  15  0.44  1.98  
23  155  O     16  0.71  1.91  
24  160  HG21  16  0.71  1.91  
25  172  HH22   6  0.40  1.86  
26  173  HB3   13  0.55  2.37  
27  173  HB3   14  0.40  2.03  
28  173  HD22  15  0.44  1.98  
29  233  HG21   5  0.49  1.94  
30  242  HD13   7  0.42  2.01  
31  248  C1     4  0.47  2.45  
32  250  O     12  0.45  1.99  
#
loop_
_pdbx_vrpt_instance_mogul_torsion_outliers.ordinal
_pdbx_vrpt_instance_mogul_torsion_outliers.instance_id
_pdbx_vrpt_instance_mogul_torsion_outliers.atom_1
_pdbx_vrpt_instance_mogul_torsion_outliers.atom_2
_pdbx_vrpt_instance_mogul_torsion_outliers.atom_3
_pdbx_vrpt_instance_mogul_torsion_outliers.atom_4
_pdbx_vrpt_instance_mogul_torsion_outliers.obsval
_pdbx_vrpt_instance_mogul_torsion_outliers.mean
_pdbx_vrpt_instance_mogul_torsion_outliers.numobs
_pdbx_vrpt_instance_mogul_torsion_outliers.stdev
_pdbx_vrpt_instance_mogul_torsion_outliers.mindiff
_pdbx_vrpt_instance_mogul_torsion_outliers.local_density
1  248  C3   C4   C5   C6    92.92  72.03  10000  20.69  0.04  1.23  
2  248  C13  C14  C15  C16  106.45  62.39  10000  13.03  0.11  0.73  
3  248  C15  C16  C17  C18  -42.02  94.12   8227  51.72  0.01  2.59  
#
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   8  0.801  0.279   1.578  
  2    2   8  0.956  0.301   1.550  
  3    3   6  0.975  0.190   0.338  
  4    4   8  0.916  0.218   0.529  
  5    5   9  0.901  0.235   0.343  
  6    6   9  0.969  0.228   0.415  
  7    7   8  0.879  0.228   0.822  
  8    8   9  0.881  0.196   0.014  
  9    9   8  0.959  0.151  -0.563  
 10   10   8  0.986  0.167  -0.326  
 11   11   8  0.966  0.172  -0.062  
 12   12   6  0.954  0.135  -0.428  
 13   13   8  0.968  0.182  -0.138  
 14   14   7  0.962  0.138  -0.638  
 15   15   9  0.949  0.166  -0.487  
 16   16   5  0.978  0.135  -0.463  
 17   17  10  0.976  0.109  -0.930  
 18   18  10  0.971  0.142  -0.458  
 19   19   9  0.932  0.353   1.511  
 20   20   7  0.978  0.150  -0.280  
 21   21  12  0.955  0.158  -0.274  
 22   22   8  0.971  0.177  -0.019  
 23   23   8  0.933  0.133  -0.606  
 24   24   6  0.944  0.144  -0.302  
 25   25  12  0.962  0.157  -0.290  
 26   26   6  0.971  0.234   0.951  
 27   27   8  0.952  0.278   1.330  
 28   28  11  0.980  0.108  -1.076  
 29   29   7  0.959  0.179  -0.037  
 30   30  11  0.899  0.313   1.355  
 31   31  11  0.959  0.163  -0.284  
 32   32  11  0.986  0.152  -0.652  
 33   33   7  0.980  0.116  -0.732  
 34   34   7  0.988  0.082  -1.222  
 35   35   7  0.967  0.223   0.609  
 36   36  11  0.937  0.213   0.108  
 37   37  11  0.869  0.302   1.218  
 38   38   8  0.948  0.147  -0.634  
 39   39   6  0.942  0.173   0.102  
 40   40   8  0.968  0.121  -0.763  
 41   41   8  0.981  0.179  -0.180  
 42   42   7  0.980  0.191   0.347  
 43   43  10  0.980  0.237   0.901  
 44   44   8  0.988  0.268   1.082  
 45   45   5  0.983  0.231   0.926  
 46   46   8  0.982  0.173  -0.072  
 47   47   8  0.985  0.242   0.713  
 48   48   7  0.975  0.219   0.550  
 49   49   6  0.960  0.170   0.060  
 50   50  12  0.903  0.195   0.290  
 51   51   6  0.988  0.151  -0.205  
 52   52   8  0.986  0.128  -0.904  
 53   53   9  0.963  0.112  -1.040  
 54   54   9  0.977  0.183  -0.428  
 55   55   7  0.987  0.120  -0.902  
 56   56   8  0.986  0.102  -1.289  
 57   57   4  0.984  0.129  -0.420  
 58   58  11  0.980  0.117  -0.947  
 59   59   5  0.987  0.146  -0.304  
 60   60   9  0.976  0.119  -1.157  
 61   61   8  0.871  0.166  -0.096  
 62   62   8  0.944  0.204   0.222  
 63   63   7  0.974  0.111  -0.804  
 64   64   4  0.921  0.170   0.125  
 65   65  11  0.964  0.125  -0.831  
 66   66  11  0.897  0.207   0.034  
 67   67   8  0.926  0.307   1.717  
 68   68   8  0.954  0.161  -0.435  
 69   69   7  0.961  0.255   1.251  
 70   70   5  0.983  0.190   0.333  
 71   71   9  0.897  0.241   0.415  
 72   72   8  0.952  0.135  -0.579  
 73   73   9  0.977  0.144  -0.639  
 74   74   8  0.987  0.154  -0.519  
 75   75   5  0.994  0.132  -0.507  
 76   76   8  0.983  0.134  -0.818  
 77   77   8  0.990  0.124  -0.960  
 78   78   9  0.965  0.170  -0.576  
 79   79   6  0.979  0.112  -0.748  
 80   80   6  0.976  0.166   0.004  
 81   81   5  0.968  0.215   0.695  
 82   82   8  0.990  0.230   0.607  
 83   83   9  0.954  0.246   0.475  
 84   84   8  0.990  0.341   2.252  
 85   85   8  0.986  0.310   1.793  
 86   86   8  0.984  0.306   1.978  
 87   87   8  0.980  0.237   0.643  
 88   88  11  0.961  0.207   0.034  
 89   89   6  0.983  0.282   1.620  
 90   90   8  0.953  0.130  -0.639  
 91   91   9  0.950  0.141  -0.676  
 92   92   6  0.961  0.155  -0.149  
 93   93  11  0.967  0.168  -0.212  
 94   94   6  0.940  0.158  -0.107  
 95   95   8  0.975  0.330   1.962  
 96   96   9  0.914  0.393   2.244  
 97   97   8  0.956  0.295   1.557  
 98   98   8  0.926  0.341   2.496  
 99   99   6  0.901  0.211   0.631  
100  100  14  0.966  0.166  -0.099  
101  101   6  0.919  0.182   0.227  
102  102   6  0.944  0.154   0.116  
103  103   4  0.918  0.196   0.470  
104  104   4  0.909  0.248   1.161  
105  105   7  0.816  0.492   4.678  
106  106   8  0.857  0.265   1.156  
107  107  11  0.982  0.092  -1.307  
108  108   9  0.938  0.241   0.234  
109  109  12  0.965  0.186   0.152  
110  110   6  0.907  0.156   0.149  
111  111   8  0.956  0.229   0.593  
112  112   8  0.895  0.310   1.834  
113  113   8  0.952  0.106  -0.967  
114  114   7  0.937  0.187   0.081  
115  115   7  0.961  0.121  -0.703  
116  116   9  0.941  0.309   1.009  
117  117   5  0.985  0.170   0.043  
118  118   4  0.981  0.125  -0.473  
119  119  10  0.973  0.118  -0.801  
120  120   7  0.973  0.133  -0.528  
121  121   8  0.979  0.400   2.955  
122  122   9  0.928  0.250   0.523  
123  123   8  0.978  0.111  -1.145  
124  124   8  0.941  0.224   0.458  
125  125   9  0.911  0.493   3.448  
126  126   7  0.972  0.088  -1.135  
127  127   8  0.976  0.111  -1.145  
128  128   7  0.935  0.193   0.169  
129  129   9  0.896  0.328   1.226  
130  130  11  0.955  0.102  -1.163  
131  131   9  0.930  0.152  -0.538  
132  132   7  0.977  0.328   2.148  
133  133   4  0.972  0.056  -1.389  
134  134   8  0.986  0.115  -1.088  
135  135   9  0.968  0.129  -1.043  
136  136   9  0.940  0.221   0.006  
137  137   8  0.981  0.107  -1.201  
138  138   9  0.968  0.159  -0.701  
139  139   8  0.980  0.130  -0.875  
140  140  10  0.965  0.098  -1.087  
141  141   9  0.929  0.185  -0.259  
142  142   9  0.971  0.127  -0.957  
143  143   9  0.920  0.220   0.162  
144  144  10  0.971  0.200   0.372  
145  145   7  0.974  0.214   0.477  
146  146   8  0.986  0.218   0.373  
147  147   8  0.989  0.215   0.330  
148  148   8  0.983  0.273   1.489  
149  149   5  0.987  0.251   1.216  
150  150   8  0.973  0.259   1.037  
151  151   6  0.968  0.246   1.642  
152  152   8  0.978  0.273   1.153  
153  153   8  0.967  0.184  -0.109  
154  154   6  0.975  0.130  -0.497  
155  155   7  0.975  0.166  -0.013  
156  156   8  0.905  0.297   1.583  
157  157  11  0.963  0.113  -1.138  
158  158   7  0.969  0.218   0.735  
159  159   4  0.966  0.130  -0.406  
160  160   7  0.970  0.107  -1.092  
161  161   9  0.949  0.212   0.215  
162  162   8  0.961  0.102  -1.020  
163  163  10  0.906  0.143  -0.443  
164  164   7  0.957  0.172  -0.139  
165  165  11  0.856  0.213   0.108  
166  166   8  0.975  0.163  -0.385  
167  167   9  0.899  0.173  -0.403  
168  168   5  0.972  0.102  -0.941  
169  169   8  0.968  0.146  -0.648  
170  170   9  0.967  0.120  -0.940  
171  171   8  0.929  0.179   0.008  
172  172  11  0.958  0.220   0.196  
173  173   8  0.969  0.158  -0.478  
174  174   6  0.963  0.095  -0.862  
175  175   8  0.956  0.189   0.142  
176  176   7  0.979  0.135  -0.682  
177  177   8  0.964  0.188  -0.052  
178  178   9  0.905  0.193  -0.024  
179  179   5  0.972  0.221   0.781  
180  180  12  0.967  0.172  -0.061  
181  181   8  0.971  0.198   0.133  
182  182  11  0.871  0.311   1.330  
183  183   8  0.973  0.182  -0.104  
184  184   9  0.941  0.204   0.114  
185  185  10  0.969  0.182   0.114  
186  186   7  0.983  0.164  -0.042  
187  187   4  0.955  0.242   1.081  
188  188   4  0.970  0.282   1.612  
189  189  11  0.768  0.225   0.258  
190  190   8  0.932  0.303   1.579  
191  191   8  0.941  0.316   1.763  
192  192  12  0.947  0.285   1.662  
193  193   5  0.982  0.280   1.635  
194  194   9  0.923  0.269   0.553  
195  195   8  0.984  0.078  -1.400  
196  196   8  0.958  0.190   0.015  
197  197   9  0.938  0.289   1.181  
198  198   9  0.965  0.111  -1.249  
199  199   8  0.980  0.121  -1.003  
200  200   5  0.975  0.148  -0.275  
201  201   8  0.962  0.178  -0.005  
202  202   8  0.948  0.137  -0.776  
203  203  11  0.936  0.192  -0.153  
204  204   6  0.965  0.241   1.049  
205  205   8  0.973  0.116  -1.074  
206  206   8  0.984  0.085  -1.257  
207  207   9  0.944  0.147  -0.716  
208  208   9  0.959  0.129  -0.933  
209  209  10  0.981  0.115  -0.844  
210  210   6  0.976  0.145  -0.288  
211  211   9  0.974  0.163  -0.656  
212  212   9  0.967  0.116  -0.990  
213  213  12  0.986  0.119  -0.869  
214  214  11  0.968  0.148  -0.702  
215  215   6  0.955  0.150  -0.219  
216  216   8  0.984  0.170  -0.308  
217  217   6  0.985  0.111  -0.762  
218  218  11  0.962  0.164  -0.269  
219  219   9  0.966  0.150  -0.563  
220  220   7  0.993  0.204   0.534  
221  221   9  0.949  0.198  -0.102  
222  222  10  0.932  0.171  -0.043  
223  223   6  0.987  0.100  -0.915  
224  224   8  0.967  0.126  -0.689  
225  225   9  0.974  0.151  -0.551  
226  226   8  0.984  0.151  -0.577  
227  227   7  0.990  0.111  -0.848  
228  228   7  0.965  0.132  -0.502  
229  229   8  0.983  0.121  -1.003  
230  230   7  0.986  0.100  -1.195  
231  231   8  0.980  0.099  -1.315  
232  232   9  0.970  0.137  -0.836  
233  233   7  0.986  0.101  -1.180  
234  234  11  0.971  0.101  -1.177  
235  235   4  0.978  0.104  -0.752  
236  236   6  0.957  0.217   0.714  
237  237   5  0.951  0.078  -1.546  
238  238   5  0.902  0.136  -0.667  
239  239  10  0.947  0.215   0.587  
240  240   5  0.957  0.086  -1.534  
241  241   8  0.982  0.122  -0.993  
242  242   8  0.984  0.114  -1.102  
243  243  10  0.919  0.203   0.415  
244  244  11  0.966  0.177  -0.340  
245  245   8  0.988  0.258   0.940  
246  246   8  0.983  0.079  -1.599  
247  247   5  0.916  0.139  -0.701  
248  248  34  0.970  0.301       ?  
249  249   1  0.872  0.397       ?  
250  250   1  0.966  0.216       ?  
251  251   1  0.959  0.251       ?  
252  252   1  0.944  0.128       ?  
253  253   1  0.908  0.497       ?  
254  254   1  0.827  0.945       ?  
255  255   1  0.844  0.608       ?  
256  256   1  0.990  0.139       ?  
257  257   1  0.584  0.549       ?  
258  258   1  0.617  0.492       ?  
259  259   1  0.908  0.554       ?  
260  260   1  0.969  0.263       ?  
261  261   1  0.923  0.122       ?  
262  262   1  0.878  0.371       ?  
263  263   1  0.990  0.274       ?  
264  264   1  0.966  0.272       ?  
265  265   1  0.839  0.708       ?  
266  266   1  0.844  0.165       ?  
267  267   1  0.929  1.053       ?  
268  268   1  0.870  0.280       ?  
269  269   1  0.989  0.406       ?  
270  270   1  0.949  0.280       ?  
271  271   1  0.935  0.388       ?  
272  272   1  0.929  0.234       ?  
273  273   1  0.902  0.631       ?  
274  274   1  0.882  0.357       ?  
275  275   1  0.850  0.293       ?  
276  276   1  0.896  0.470       ?  
277  277   1  0.660  0.333       ?  
278  278   1  0.718  0.178       ?  
279  279   1  0.884  0.626       ?  
280  280   1  0.746  0.531       ?  
281  281   1  0.873  0.324       ?  
282  282   1  0.900  0.528       ?  
283  283   1  0.813  0.709       ?  
284  284   1  0.636  0.916       ?  
285  285   1  0.670  0.326       ?  
286  286   1  0.781  0.215       ?  
287  287   1  0.701  0.197       ?  
288  288   1  0.790  1.030       ?  
289  289   1  0.920  0.446       ?  
290  290   1  0.726  0.463       ?  
291  291   1  0.880  0.115       ?  
292  292   1  0.744  0.334       ?  
293  293   1  0.737  0.799       ?  
#
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        "1.8.4, CSD as541be (2020)"                                           Y  
3  eds          2.36                                                                  Y  
4  dcc          '"2.27  (2023-04-10)"'                                                Y  
5  xtriage      1.13                                                                  Y  
6  percentiles  "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
