data_7SSB

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  7SSB
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    7SSB
_pdbx_vrpt_summary.PDB_deposition_date         2021-11-10
_pdbx_vrpt_summary.PDB_revision_number         2
_pdbx_vrpt_summary.PDB_revision_date           2023-10-18
_pdbx_vrpt_summary.report_creation_date        2023-10-10:05:30
_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      "cGMP-dependent protein kinase 1"  
2  non-polymer  "4-({(2S,3S)-3-[(1S)-1-(3,5-dichlorophenyl)-2-hydroxyethoxy]-2-phenylpiperidin-1-yl}methyl)-3-nitrobenzoic acid"  
3  water        water  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  2  
C  3  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all  x-ray  
2  1.4  x-ray  
#
loop_
_pdbx_vrpt_percentile_type.id
_pdbx_vrpt_percentile_type.type
1  all_atom_clashscore           
2  Ramachandran_outlier_percent  
3  rotamer_outliers_percent      
4  RSRZ_outliers_percent         
5  R_value_R_free                
#
loop_
_pdbx_vrpt_percentile_conditions.id
_pdbx_vrpt_percentile_conditions.percentile_list_id
_pdbx_vrpt_percentile_conditions.type_id
_pdbx_vrpt_percentile_conditions.rank
_pdbx_vrpt_percentile_conditions.number_entries_total
_pdbx_vrpt_percentile_conditions.res_high
_pdbx_vrpt_percentile_conditions.res_low
 1  1  1   96.17  141614     ?     ?  
 2  2  1   93.05    1812  1.40  1.40  
 3  1  2  100.00  138981     ?     ?  
 4  2  2  100.00    1763  1.40  1.40  
 5  1  3   75.87  138945     ?     ?  
 6  2  3   53.29    1762  1.40  1.40  
 7  1  4   18.39  127900     ?     ?  
 8  2  4   17.08    1674  1.40  1.40  
 9  1  5   46.99  130704     ?     ?  
10  2  5    7.29    1714  1.40  1.40  
#
loop_
_pdbx_vrpt_percentile_entity_view.ordinal
_pdbx_vrpt_percentile_entity_view.conditions_id
_pdbx_vrpt_percentile_entity_view.type_id
_pdbx_vrpt_percentile_entity_view.label_asym_id
_pdbx_vrpt_percentile_entity_view.PDB_model_num
_pdbx_vrpt_percentile_entity_view.entity_id
_pdbx_vrpt_percentile_entity_view.auth_asym_id
_pdbx_vrpt_percentile_entity_view.rank
1  3  2  A  1  1  A  100.00  
2  4  2  A  1  1  A  100.00  
3  5  3  A  1  1  A   78.50  
4  6  3  A  1  1  A   57.78  
5  7  4  A  1  1  A   18.39  
6  8  4  A  1  1  A   17.08  
#
_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      0.66
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ       0.54
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ   1011
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ  1366
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  0.00
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       0.95
_pdbx_vrpt_summary_geometry.clashscore                     1.00
_pdbx_vrpt_summary_geometry.num_H_reduce                   988
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 1011
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.54
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                1366
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.66
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            42.965
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         7.128
_pdbx_vrpt_summary_diffraction.I_over_sigma              1.58(1.40A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        27741
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.327
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.476
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.306
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.931
_pdbx_vrpt_summary_diffraction.DCC_R                     0.21
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.24
_pdbx_vrpt_summary_diffraction.EDS_R                     0.22
_pdbx_vrpt_summary_diffraction.EDS_res_high              1.40
_pdbx_vrpt_summary_diffraction.EDS_res_low               28.20
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[9.952,18.410,2.186,0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           1.593
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 8.32% of the height of the origin peak. No significant pseudotranslation is detected."
_pdbx_vrpt_summary_diffraction.B_factor_type             FULL
_pdbx_vrpt_summary_diffraction.acentric_outliers         0
_pdbx_vrpt_summary_diffraction.centric_outliers          0
_pdbx_vrpt_summary_diffraction.data_completeness         96.48
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      1076
_pdbx_vrpt_summary_diffraction.percent_free_reflections  3.88
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     6.50
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       1.40
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        28.20
_pdbx_vrpt_summary_diffraction.PDB_R                     0.21
_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_bond_outliers
_pdbx_vrpt_model_instance.count_mogul_angle_outliers
_pdbx_vrpt_model_instance.count_mogul_torsion_outliers
  1  1  1  A  143  SER  A    218  .  ?        ?     ?     ?     ?  
  2  1  1  A  144  THR  A    219  .  ?        ?     ?     ?     ?  
  3  1  1  A  145  GLY  A    220  .  ?        ?     ?     ?     ?  
  4  1  1  A  146  LEU  A    221  .  ?        ?     ?     ?     ?  
  5  1  1  A  147  ILE  A    222  .  ?        1     ?     ?     ?  
  6  1  1  A  148  LYS  A    223  .  ?        ?     ?     ?     ?  
  7  1  1  A  149  HIS  A    224  .  ?        ?     ?     ?     ?  
  8  1  1  A  150  THR  A    225  A  ?        ?     ?     ?     ?  
  9  1  1  A  150  THR  A    225  B  ?        1     ?     ?     ?  
 10  1  1  A  151  GLU  A    226  .  ?        ?     ?     ?     ?  
 11  1  1  A  152  TYR  A    227  .  ?        ?     ?     ?     ?  
 12  1  1  A  153  MET  A    228  .  ?        ?     ?     ?     ?  
 13  1  1  A  154  GLU  A    229  .  ?        ?     ?     ?     ?  
 14  1  1  A  155  PHE  A    230  .  ?        ?     ?     ?     ?  
 15  1  1  A  156  LEU  A    231  .  ?        ?     ?     ?     ?  
 16  1  1  A  157  LYS  A    232  .  ?        ?     ?     ?     ?  
 17  1  1  A  158  SER  A    233  .  ?        ?     ?     ?     ?  
 18  1  1  A  159  VAL  A    234  .  ?        ?     ?     ?     ?  
 19  1  1  A  160  PRO  A    235  .  ?        ?     ?     ?     ?  
 20  1  1  A  161  THR  A    236  .  ?        ?     ?     ?     ?  
 21  1  1  A  162  PHE  A    237  .  ?        ?     ?     ?     ?  
 22  1  1  A  163  GLN  A    238  .  ?        ?     ?     ?     ?  
 23  1  1  A  164  SER  A    239  .  ?        ?     ?     ?     ?  
 24  1  1  A  165  LEU  A    240  .  ?        ?     ?     ?     ?  
 25  1  1  A  166  PRO  A    241  .  ?        ?     ?     ?     ?  
 26  1  1  A  167  GLU  A    242  .  ?        ?     ?     ?     ?  
 27  1  1  A  168  GLU  A    243  .  ?        ?     ?     ?     ?  
 28  1  1  A  169  ILE  A    244  .  ?        ?     ?     ?     ?  
 29  1  1  A  170  LEU  A    245  .  ?        ?     ?     ?     ?  
 30  1  1  A  171  SER  A    246  .  ?        ?     ?     ?     ?  
 31  1  1  A  172  LYS  A    247  .  ?        ?     ?     ?     ?  
 32  1  1  A  173  LEU  A    248  .  ?        ?     ?     ?     ?  
 33  1  1  A  174  ALA  A    249  .  ?        ?     ?     ?     ?  
 34  1  1  A  175  ASP  A    250  .  ?        ?     ?     ?     ?  
 35  1  1  A  176  VAL  A    251  A  ?        ?     ?     ?     ?  
 36  1  1  A  176  VAL  A    251  B  ?        ?     ?     ?     ?  
 37  1  1  A  177  LEU  A    252  .  ?        ?     ?     ?     ?  
 38  1  1  A  178  GLU  A    253  .  ?        ?     ?     ?     ?  
 39  1  1  A  179  GLU  A    254  .  ?        ?     ?     ?     ?  
 40  1  1  A  180  THR  A    255  A  ?        ?     ?     ?     ?  
 41  1  1  A  180  THR  A    255  B  ?        ?     ?     ?     ?  
 42  1  1  A  181  HIS  A    256  .  ?        ?     ?     ?     ?  
 43  1  1  A  182  TYR  A    257  .  ?        ?     ?     ?     ?  
 44  1  1  A  183  GLU  A    258  .  ?        ?     ?     ?     ?  
 45  1  1  A  184  ASN  A    259  .  ?        ?     ?     ?     ?  
 46  1  1  A  185  GLY  A    260  .  ?        ?     ?     ?     ?  
 47  1  1  A  186  GLU  A    261  .  ?        ?     ?     ?     ?  
 48  1  1  A  187  TYR  A    262  .  ?        ?     ?     ?     ?  
 49  1  1  A  188  ILE  A    263  .  ?        ?     ?     ?     ?  
 50  1  1  A  189  ILE  A    264  A  ?        1     ?     ?     ?  
 51  1  1  A  189  ILE  A    264  B  ?        ?     ?     ?     ?  
 52  1  1  A  190  ARG  A    265  .  ?        ?     ?     ?     ?  
 53  1  1  A  191  GLN  A    266  .  ?        ?     ?     ?     ?  
 54  1  1  A  192  GLY  A    267  .  ?        ?     ?     ?     ?  
 55  1  1  A  193  ALA  A    268  .  ?        ?     ?     ?     ?  
 56  1  1  A  194  ARG  A    269  .  ?        ?     ?     ?     ?  
 57  1  1  A  195  GLY  A    270  .  ?        ?     ?     ?     ?  
 58  1  1  A  196  ASP  A    271  .  ?        ?     ?     ?     ?  
 59  1  1  A  197  THR  A    272  .  ?        ?     ?     ?     ?  
 60  1  1  A  198  PHE  A    273  .  ?        ?     ?     ?     ?  
 61  1  1  A  199  PHE  A    274  .  ?        ?     ?     ?     ?  
 62  1  1  A  200  ILE  A    275  .  ?        ?     ?     ?     ?  
 63  1  1  A  201  ILE  A    276  .  ?        ?     ?     ?     ?  
 64  1  1  A  202  SER  A    277  .  ?        ?     ?     ?     ?  
 65  1  1  A  203  LYS  A    278  .  ?        ?     ?     ?     ?  
 66  1  1  A  204  GLY  A    279  .  ?        ?     ?     ?     ?  
 67  1  1  A  205  THR  A    280  .  ?        ?     ?     ?     ?  
 68  1  1  A  206  VAL  A    281  .  ?        ?     ?     ?     ?  
 69  1  1  A  207  ASN  A    282  .  ?        ?     ?     ?     ?  
 70  1  1  A  208  VAL  A    283  .  ?        ?     ?     ?     ?  
 71  1  1  A  209  THR  A    284  .  ?        ?     ?     ?     ?  
 72  1  1  A  210  ARG  A    285  .  ?        ?     ?     ?     ?  
 73  1  1  A  211  GLU  A    286  .  ?        ?     ?     ?     ?  
 74  1  1  A  212  ASP  A    287  .  ?        ?     ?     ?     ?  
 75  1  1  A  213  SER  A    288  .  ?        ?     ?     ?     ?  
 76  1  1  A  217  ASP  A    292  .  ?        ?     ?     ?     ?  
 77  1  1  A  218  PRO  A    293  .  ?        ?     ?     ?     ?  
 78  1  1  A  219  VAL  A    294  .  ?        ?     ?     ?     ?  
 79  1  1  A  220  PHE  A    295  .  ?        ?     ?     ?     ?  
 80  1  1  A  221  LEU  A    296  .  ?        ?     ?     ?     ?  
 81  1  1  A  222  ARG  A    297  .  ?        ?     ?     ?     ?  
 82  1  1  A  223  THR  A    298  .  ?        ?     ?     ?     ?  
 83  1  1  A  224  LEU  A    299  .  ?        ?     ?     ?     ?  
 84  1  1  A  225  GLY  A    300  .  ?        ?     ?     ?     ?  
 85  1  1  A  226  LYS  A    301  .  ?        ?     ?     ?     ?  
 86  1  1  A  227  GLY  A    302  .  ?        ?     ?     ?     ?  
 87  1  1  A  228  ASP  A    303  .  ?        ?     ?     ?     ?  
 88  1  1  A  229  TRP  A    304  .  ?        ?     ?     ?     ?  
 89  1  1  A  230  PHE  A    305  .  ?        ?     ?     ?     ?  
 90  1  1  A  231  GLY  A    306  .  ?        ?     ?     ?     ?  
 91  1  1  A  232  GLU  A    307  .  ?        ?     ?     ?     ?  
 92  1  1  A  233  LYS  A    308  .  ?        ?     ?     ?     ?  
 93  1  1  A  234  ALA  A    309  .  ?        ?     ?     ?     ?  
 94  1  1  A  235  LEU  A    310  .  ?        ?     ?     ?     ?  
 95  1  1  A  236  GLN  A    311  .  ?        ?     ?     ?     ?  
 96  1  1  A  237  GLY  A    312  .  ?        ?     ?     ?     ?  
 97  1  1  A  238  GLU  A    313  .  ?        ?     ?     ?     ?  
 98  1  1  A  239  ASP  A    314  .  ?        ?     ?     ?     ?  
 99  1  1  A  240  VAL  A    315  .  ?        ?     ?     ?     ?  
100  1  1  A  241  ARG  A    316  .  ?        1     ?     ?     ?  
101  1  1  A  242  THR  A    317  .  ?        ?     ?     ?     ?  
102  1  1  A  243  ALA  A    318  .  ?        ?     ?     ?     ?  
103  1  1  A  244  ASN  A    319  .  ?        ?     ?     ?     ?  
104  1  1  A  245  VAL  A    320  .  ?        ?     ?     ?     ?  
105  1  1  A  246  ILE  A    321  .  ?        ?     ?     ?     ?  
106  1  1  A  247  ALA  A    322  .  ?        ?     ?     ?     ?  
107  1  1  A  248  ALA  A    323  .  ?        ?     ?     ?     ?  
108  1  1  A  249  GLU  A    324  .  ?        ?     ?     ?     ?  
109  1  1  A  250  ALA  A    325  .  ?        ?     ?     ?     ?  
110  1  1  A  251  VAL  A    326  .  ?        ?     ?     ?     ?  
111  1  1  A  252  THR  A    327  .  ?        ?     ?     ?     ?  
112  1  1  A  253  CYS  A    328  .  ?        ?     ?     ?     ?  
113  1  1  A  254  LEU  A    329  .  ?        ?     ?     ?     ?  
114  1  1  A  255  VAL  A    330  .  ?        ?     ?     ?     ?  
115  1  1  A  256  ILE  A    331  .  ?        ?     ?     ?     ?  
116  1  1  A  257  ASP  A    332  .  ?        ?     ?     ?     ?  
117  1  1  A  258  ARG  A    333  .  ?        ?     ?     ?     ?  
118  1  1  A  259  ASP  A    334  .  ?        ?     ?     ?     ?  
119  1  1  A  260  SER  A    335  .  ?        ?     ?     ?     ?  
120  1  1  A  261  PHE  A    336  .  ?        ?     ?     ?     ?  
121  1  1  A  262  LYS  A    337  .  ?        ?     ?     ?     ?  
122  1  1  A  263  HIS  A    338  .  ?        ?     ?     ?     ?  
123  1  1  A  264  LEU  A    339  .  ?        ?     ?     ?     ?  
124  1  1  A  265  ILE  A    340  .  ?        ?     ?     ?     ?  
125  1  1  A  266  GLY  A    341  .  ?        ?     ?     ?     ?  
126  1  1  A  267  GLY  A    342  .  ?        ?     ?     ?     ?  
127  1  1  A  268  LEU  A    343  .  ?        ?     ?     ?     ?  
128  1  2  B    .  B4I  A   9901  .  ?        ?     2     1     3  
129  1  3  C    .  HOH  A  10001  .  ?        ?     ?     ?     ?  
130  1  3  C    .  HOH  A  10002  .  ?        ?     ?     ?     ?  
131  1  3  C    .  HOH  A  10003  .  ?        ?     ?     ?     ?  
132  1  3  C    .  HOH  A  10004  .  ?        ?     ?     ?     ?  
133  1  3  C    .  HOH  A  10005  .  ?        ?     ?     ?     ?  
134  1  3  C    .  HOH  A  10006  .  ?        ?     ?     ?     ?  
135  1  3  C    .  HOH  A  10007  .  ?        ?     ?     ?     ?  
136  1  3  C    .  HOH  A  10008  .  ?        ?     ?     ?     ?  
137  1  3  C    .  HOH  A  10009  .  ?        ?     ?     ?     ?  
138  1  3  C    .  HOH  A  10010  .  ?        ?     ?     ?     ?  
139  1  3  C    .  HOH  A  10011  .  ?        ?     ?     ?     ?  
140  1  3  C    .  HOH  A  10012  .  ?        ?     ?     ?     ?  
141  1  3  C    .  HOH  A  10013  .  ?        ?     ?     ?     ?  
142  1  3  C    .  HOH  A  10014  .  ?        ?     ?     ?     ?  
143  1  3  C    .  HOH  A  10015  .  ?        ?     ?     ?     ?  
144  1  3  C    .  HOH  A  10016  .  ?        ?     ?     ?     ?  
145  1  3  C    .  HOH  A  10017  .  ?        ?     ?     ?     ?  
146  1  3  C    .  HOH  A  10018  .  ?        ?     ?     ?     ?  
147  1  3  C    .  HOH  A  10019  .  ?        ?     ?     ?     ?  
148  1  3  C    .  HOH  A  10020  .  ?        ?     ?     ?     ?  
149  1  3  C    .  HOH  A  10021  .  ?        ?     ?     ?     ?  
150  1  3  C    .  HOH  A  10022  .  ?        ?     ?     ?     ?  
151  1  3  C    .  HOH  A  10023  .  ?        ?     ?     ?     ?  
152  1  3  C    .  HOH  A  10024  .  ?        ?     ?     ?     ?  
153  1  3  C    .  HOH  A  10025  .  ?        ?     ?     ?     ?  
154  1  3  C    .  HOH  A  10026  .  ?        ?     ?     ?     ?  
155  1  3  C    .  HOH  A  10027  .  ?        ?     ?     ?     ?  
156  1  3  C    .  HOH  A  10028  .  ?        ?     ?     ?     ?  
157  1  3  C    .  HOH  A  10029  .  ?        ?     ?     ?     ?  
158  1  3  C    .  HOH  A  10030  .  ?        ?     ?     ?     ?  
159  1  3  C    .  HOH  A  10031  .  ?        ?     ?     ?     ?  
160  1  3  C    .  HOH  A  10032  .  ?        ?     ?     ?     ?  
161  1  3  C    .  HOH  A  10033  .  ?        ?     ?     ?     ?  
162  1  3  C    .  HOH  A  10034  .  ?        ?     ?     ?     ?  
163  1  3  C    .  HOH  A  10035  .  ?        ?     ?     ?     ?  
164  1  3  C    .  HOH  A  10036  .  ?        ?     ?     ?     ?  
165  1  3  C    .  HOH  A  10037  .  ?        ?     ?     ?     ?  
166  1  3  C    .  HOH  A  10038  .  ?        ?     ?     ?     ?  
167  1  3  C    .  HOH  A  10039  .  ?        ?     ?     ?     ?  
168  1  3  C    .  HOH  A  10040  .  ?        ?     ?     ?     ?  
169  1  3  C    .  HOH  A  10041  .  ?        ?     ?     ?     ?  
170  1  3  C    .  HOH  A  10042  .  ?        ?     ?     ?     ?  
171  1  3  C    .  HOH  A  10043  .  ?        ?     ?     ?     ?  
172  1  3  C    .  HOH  A  10044  .  ?        ?     ?     ?     ?  
173  1  3  C    .  HOH  A  10045  .  ?        ?     ?     ?     ?  
174  1  3  C    .  HOH  A  10046  .  ?        ?     ?     ?     ?  
175  1  3  C    .  HOH  A  10047  .  ?        ?     ?     ?     ?  
176  1  3  C    .  HOH  A  10048  .  ?        ?     ?     ?     ?  
177  1  3  C    .  HOH  A  10049  .  ?        ?     ?     ?     ?  
178  1  3  C    .  HOH  A  10050  .  ?        ?     ?     ?     ?  
179  1  3  C    .  HOH  A  10051  .  ?        ?     ?     ?     ?  
180  1  3  C    .  HOH  A  10052  .  ?        ?     ?     ?     ?  
181  1  3  C    .  HOH  A  10053  .  ?        ?     ?     ?     ?  
182  1  3  C    .  HOH  A  10054  .  ?        ?     ?     ?     ?  
183  1  3  C    .  HOH  A  10055  .  ?        ?     ?     ?     ?  
184  1  3  C    .  HOH  A  10056  .  ?        ?     ?     ?     ?  
185  1  3  C    .  HOH  A  10057  .  ?        ?     ?     ?     ?  
186  1  3  C    .  HOH  A  10058  .  ?        ?     ?     ?     ?  
187  1  3  C    .  HOH  A  10059  .  ?        ?     ?     ?     ?  
188  1  3  C    .  HOH  A  10060  .  ?        ?     ?     ?     ?  
189  1  3  C    .  HOH  A  10061  .  ?        ?     ?     ?     ?  
190  1  3  C    .  HOH  A  10062  .  ?        ?     ?     ?     ?  
191  1  3  C    .  HOH  A  10063  .  ?        ?     ?     ?     ?  
192  1  3  C    .  HOH  A  10064  .  ?        ?     ?     ?     ?  
193  1  3  C    .  HOH  A  10065  .  ?        ?     ?     ?     ?  
194  1  3  C    .  HOH  A  10066  .  ?        ?     ?     ?     ?  
195  1  3  C    .  HOH  A  10067  .  ?        ?     ?     ?     ?  
196  1  3  C    .  HOH  A  10068  .  ?        ?     ?     ?     ?  
197  1  3  C    .  HOH  A  10069  .  ?        ?     ?     ?     ?  
198  1  3  C    .  HOH  A  10070  .  ?        ?     ?     ?     ?  
199  1  3  C    .  HOH  A  10071  .  ?        ?     ?     ?     ?  
200  1  3  C    .  HOH  A  10072  .  ?        ?     ?     ?     ?  
201  1  3  C    .  HOH  A  10073  .  ?        ?     ?     ?     ?  
202  1  3  C    .  HOH  A  10074  .  ?        ?     ?     ?     ?  
203  1  3  C    .  HOH  A  10075  .  ?        ?     ?     ?     ?  
204  1  3  C    .  HOH  A  10076  .  ?        ?     ?     ?     ?  
205  1  3  C    .  HOH  A  10077  .  ?        ?     ?     ?     ?  
206  1  3  C    .  HOH  A  10078  .  ?        ?     ?     ?     ?  
207  1  3  C    .  HOH  A  10079  .  ?        ?     ?     ?     ?  
208  1  3  C    .  HOH  A  10080  .  ?        ?     ?     ?     ?  
209  1  3  C    .  HOH  A  10081  .  ?        ?     ?     ?     ?  
210  1  3  C    .  HOH  A  10082  .  ?        ?     ?     ?     ?  
211  1  3  C    .  HOH  A  10083  .  ?        ?     ?     ?     ?  
212  1  3  C    .  HOH  A  10084  .  ?        ?     ?     ?     ?  
213  1  3  C    .  HOH  A  10085  .  ?        ?     ?     ?     ?  
214  1  3  C    .  HOH  A  10086  .  ?        ?     ?     ?     ?  
215  1  3  C    .  HOH  A  10087  .  ?        ?     ?     ?     ?  
216  1  3  C    .  HOH  A  10088  .  ?        ?     ?     ?     ?  
217  1  3  C    .  HOH  A  10089  .  ?        ?     ?     ?     ?  
218  1  3  C    .  HOH  A  10090  .  ?        ?     ?     ?     ?  
219  1  3  C    .  HOH  A  10091  .  ?        ?     ?     ?     ?  
220  1  3  C    .  HOH  A  10092  .  ?        ?     ?     ?     ?  
221  1  3  C    .  HOH  A  10093  .  ?        ?     ?     ?     ?  
222  1  3  C    .  HOH  A  10094  .  ?        ?     ?     ?     ?  
223  1  3  C    .  HOH  A  10095  .  ?        ?     ?     ?     ?  
224  1  3  C    .  HOH  A  10096  .  ?        ?     ?     ?     ?  
225  1  3  C    .  HOH  A  10097  .  ?        ?     ?     ?     ?  
226  1  3  C    .  HOH  A  10098  .  ?        ?     ?     ?     ?  
227  1  3  C    .  HOH  A  10099  .  ?        ?     ?     ?     ?  
228  1  3  C    .  HOH  A  10100  .  ?        ?     ?     ?     ?  
229  1  3  C    .  HOH  A  10101  .  ?        ?     ?     ?     ?  
230  1  3  C    .  HOH  A  10102  .  ?        ?     ?     ?     ?  
231  1  3  C    .  HOH  A  10103  .  ?        ?     ?     ?     ?  
232  1  3  C    .  HOH  A  10104  .  ?        ?     ?     ?     ?  
233  1  3  C    .  HOH  A  10105  .  ?        ?     ?     ?     ?  
234  1  3  C    .  HOH  A  10106  .  ?        ?     ?     ?     ?  
235  1  3  C    .  HOH  A  10107  .  ?        ?     ?     ?     ?  
236  1  3  C    .  HOH  A  10108  .  ?        ?     ?     ?     ?  
237  1  3  C    .  HOH  A  10109  .  ?        ?     ?     ?     ?  
238  1  3  C    .  HOH  A  10110  .  ?        ?     ?     ?     ?  
239  1  3  C    .  HOH  A  10111  .  ?        ?     ?     ?     ?  
240  1  3  C    .  HOH  A  10112  .  ?        ?     ?     ?     ?  
241  1  3  C    .  HOH  A  10113  .  ?        ?     ?     ?     ?  
242  1  3  C    .  HOH  A  10114  .  ?        ?     ?     ?     ?  
243  1  3  C    .  HOH  A  10115  .  ?        ?     ?     ?     ?  
244  1  3  C    .  HOH  A  10116  .  ?        ?     ?     ?     ?  
245  1  3  C    .  HOH  A  10117  .  ?        ?     ?     ?     ?  
246  1  3  C    .  HOH  A  10118  .  ?        ?     ?     ?     ?  
247  1  3  C    .  HOH  A  10119  .  ?        ?     ?     ?     ?  
248  1  3  C    .  HOH  A  10120  .  ?        ?     ?     ?     ?  
249  1  3  C    .  HOH  A  10121  .  ?        ?     ?     ?     ?  
250  1  3  C    .  HOH  A  10122  .  ?        ?     ?     ?     ?  
251  1  3  C    .  HOH  A  10123  .  ?        ?     ?     ?     ?  
252  1  3  C    .  HOH  A  10124  .  ?        ?     ?     ?     ?  
253  1  3  C    .  HOH  A  10125  .  ?        ?     ?     ?     ?  
254  1  3  C    .  HOH  A  10126  .  ?        ?     ?     ?     ?  
255  1  3  C    .  HOH  A  10127  .  ?        ?     ?     ?     ?  
256  1  3  C    .  HOH  A  10128  .  ?        ?     ?     ?     ?  
257  1  3  C    .  HOH  A  10129  .  ?        ?     ?     ?     ?  
258  1  3  C    .  HOH  A  10130  .  ?        ?     ?     ?     ?  
259  1  3  C    .  HOH  A  10131  .  ?        ?     ?     ?     ?  
260  1  3  C    .  HOH  A  10132  .  ?        ?     ?     ?     ?  
261  1  3  C    .  HOH  A  10133  .  ?        ?     ?     ?     ?  
262  1  3  C    .  HOH  A  10134  .  ?        ?     ?     ?     ?  
263  1  3  C    .  HOH  A  10135  .  ?        ?     ?     ?     ?  
264  1  3  C    .  HOH  A  10136  .  ?        ?     ?     ?     ?  
265  1  3  C    .  HOH  A  10137  .  ?        ?     ?     ?     ?  
266  1  3  C    .  HOH  A  10138  .  ?        ?     ?     ?     ?  
267  1  3  C    .  HOH  A  10139  .  ?        ?     ?     ?     ?  
268  1  3  C    .  HOH  A  10140  .  ?        ?     ?     ?     ?  
269  1  3  C    .  HOH  A  10141  .  ?        ?     ?     ?     ?  
270  1  3  C    .  HOH  A  10142  .  ?        ?     ?     ?     ?  
271  1  3  C    .  HOH  A  10143  .  ?        ?     ?     ?     ?  
272  1  3  C    .  HOH  A  10144  .  ?        ?     ?     ?     ?  
273  1  3  C    .  HOH  A  10145  .  ?        ?     ?     ?     ?  
274  1  3  C    .  HOH  A  10146  .  ?        ?     ?     ?     ?  
275  1  3  C    .  HOH  A  10147  .  ?        ?     ?     ?     ?  
276  1  3  C    .  HOH  A  10148  .  ?        ?     ?     ?     ?  
277  1  3  C    .  HOH  A  10149  .  ?        ?     ?     ?     ?  
278  1  3  C    .  HOH  A  10150  .  ?        ?     ?     ?     ?  
279  1  3  C    .  HOH  A  10151  .  ?        ?     ?     ?     ?  
280  1  3  C    .  HOH  A  10152  .  ?        ?     ?     ?     ?  
281  1  3  C    .  HOH  A  10153  .  ?        ?     ?     ?     ?  
282  1  3  C    .  HOH  A  10154  .  ?        ?     ?     ?     ?  
283  1  3  C    .  HOH  A  10155  .  ?        ?     ?     ?     ?  
#
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  p             ?       ?  ?           4  10.330   6  0.37   8  0.54  molprobity  1.000  
  2    2  m         -65.5   -35.1  Favored     7  14.060   7  0.45  10  0.74  molprobity  1.000  
  3    3  ?         -62.6   -38.2  Favored     3   7.920   4  0.38   5  0.65  molprobity  1.000  
  4    4  tp        -69.7   -40.9  Favored    11   7.680   8  0.73  11  0.54  molprobity  1.000  
  5    5  mm        -63.1   -39.5  Favored    11  10.110   8  0.42  11  0.50  molprobity  1.000  
  6    6  mttt      -66.3   -42.4  Favored    13  13.370   9  0.64  11  0.54  molprobity  1.000  
  7    7  t-80      -58.9   -44.5  Favored     7   8.410  11  0.54  15  0.29  molprobity  1.000  
  8    8  m         -64.7   -33.1  Favored     7   8.450   7  0.88  10  0.66  molprobity  1.000  
  9    9  m         -64.7   -33.1  Favored     7   8.450   7  0.88  10  0.66  molprobity  1.000  
 10   10  mt-10     -68.5   -41.3  Favored     6  10.660   9  0.33  12  0.54  molprobity  1.000  
 11   11  m-30      -69.7   -37.4  Favored     9   9.650  13  0.61  18  0.56  molprobity  1.000  
 12   12  mmm       -61.9   -43.6  Favored     9   8.610   8  0.35  10  0.41  molprobity  1.000  
 13   13  tt0       -63.0   -42.9  Favored     6  14.230   9  0.50  12  0.38  molprobity  1.000  
 14   14  t80       -64.5   -48.2  Favored     9   8.940  12  0.52  16  0.58  molprobity  1.000  
 15   15  mt        -61.8   -36.3  Favored    11   9.400   8  0.50  11  0.28  molprobity  1.000  
 16   16  mttt      -69.6   -18.9  Favored    13  14.740   9  0.32  11  0.59  molprobity  1.000  
 17   17  p         -84.0    -8.0  Favored     5  11.940   6  0.54   8  0.55  molprobity  1.000  
 18   18  t        -103.1   113.3  Favored     9  10.630   7  0.47  11  0.71  molprobity  1.000  
 19   19  Cg_exo    -51.3   -38.5  Favored     7   9.670   8  0.55  11  0.61  molprobity  1.000  
 20   20  m         -64.5   -33.3  Favored     7  10.870   7  0.23  10  0.54  molprobity  1.000  
 21   21  m-85      -90.7   -27.7  Favored     9  11.470  12  0.36  16  0.47  molprobity  1.000  
 22   22  tp-100    -58.8   -22.2  Favored     8  29.070   9  0.62  12  0.76  molprobity  1.000  
 23   23  m         -70.1   -13.2  Favored     5  24.180   6  0.47   8  0.48  molprobity  1.000  
 24   24  mt        -79.3   145.4  Favored    11  19.120   8  0.41  12  0.50  molprobity  1.000  
 25   25  Cg_exo    -61.3   147.1  Favored     7  17.520   8  0.55  11  0.47  molprobity  1.000  
 26   26  tt0       -48.5   -42.1  Favored     6  34.490   9  0.52  12  0.50  molprobity  1.000  
 27   27  tt0       -57.7   -43.7  Favored     6  29.620   9  0.47  12  0.43  molprobity  1.000  
 28   28  mt        -71.8   -40.7  Favored    11  15.520   8  0.63  11  0.61  molprobity  1.000  
 29   29  mt        -60.2   -41.6  Favored    11  11.620   8  0.61  11  0.52  molprobity  1.000  
 30   30  t         -64.3   -43.7  Favored     5   9.300   6  0.25   8  0.43  molprobity  1.000  
 31   31  mtpt      -65.1   -38.4  Favored    13  15.860   9  0.56  11  0.46  molprobity  1.000  
 32   32  tp        -66.2   -40.5  Favored    11  10.890   8  0.33  11  0.51  molprobity  1.000  
 33   33  ?         -66.3   -26.8  Favored     5   9.980   5  0.51   7  0.55  molprobity  1.000  
 34   34  m-20      -64.9   -35.2  Favored     4   9.440   8  1.02  11  0.95  molprobity  1.000  
 35   35  t        -100.0   -25.1  Favored     9  12.120   7  0.46  10  0.68  molprobity  1.000  
 36   36  t        -100.0   -25.1  Favored     9  12.120   7  0.46  10  0.68  molprobity  1.000  
 37   37  mt        -59.2   147.3  Favored    11   9.880   8  0.57  11  0.72  molprobity  1.000  
 38   38  mt-10    -132.4   157.5  Favored     6  30.310   9  0.73  12  0.50  molprobity  1.000  
 39   39  mt-10     -96.1   142.3  Favored     6  14.310   9  0.54  12  1.28  molprobity  1.000  
 40   40  p        -128.0   137.2  Favored     7  10.390   7  0.50  10  0.94  molprobity  1.000  
 41   41  p        -128.0   137.2  Favored     7  10.390   7  0.50  10  0.94  molprobity  1.000  
 42   42  m-70     -111.8   143.6  Favored     7  11.740  11  0.57  15  0.57  molprobity  1.000  
 43   43  m-85     -132.4   153.7  Favored     9   9.920  13  0.60  18  0.31  molprobity  1.000  
 44   44  mm-40    -103.7   161.8  Favored     6  18.480   9  0.37  12  0.48  molprobity  1.000  
 45   45  t-20      -54.1   125.8  Favored     6  15.580   8  0.32  11  0.39  molprobity  1.000  
 46   46  ?          93.8   -11.2  Favored     3  11.070   4  0.60   5  0.35  molprobity  1.000  
 47   47  tt0       -74.9   133.7  Favored     6  11.690   9  0.38  12  0.47  molprobity  1.000  
 48   48  m-85      -78.9   120.2  Favored     9  10.510  13  0.46  18  0.48  molprobity  1.000  
 49   49  mt        -80.8   -48.1  Favored    11   7.150   8  0.62  11  0.89  molprobity  1.000  
 50   50  mt       -139.4   154.9  Favored    11   7.960   8  0.76  11  0.92  molprobity  1.000  
 51   51  mt       -139.4   154.9  Favored    11   7.960   8  0.76  11  0.92  molprobity  1.000  
 52   52  mtt-85   -117.2   139.3  Favored    13   9.570  11  0.67  14  0.80  molprobity  1.000  
 53   53  tt0       -56.2   128.0  Favored     8   9.470   9  0.48  12  0.41  molprobity  1.000  
 54   54  ?          96.8   -12.2  Favored     3   7.150   4  0.14   5  0.45  molprobity  1.000  
 55   55  ?         -80.7   155.4  Favored     5   8.150   5  0.81   7  0.73  molprobity  1.000  
 56   56  mtm180    -78.5   148.2  Favored    13  12.120  11  0.58  14  0.86  molprobity  1.000  
 57   57  ?        -137.3   148.9  Favored     3  12.970   4  0.44   5  0.37  molprobity  1.000  
 58   58  p-10     -136.2     8.6  Favored     4  15.440   8  0.63  11  0.62  molprobity  1.000  
 59   59  m        -122.3   144.1  Favored     7   8.690   7  0.50  10  0.97  molprobity  1.000  
 60   60  t80      -110.3   141.0  Favored     9   6.990  12  0.41  16  0.64  molprobity  1.000  
 61   61  m-85     -128.4   131.9  Favored     9   5.320  12  0.48  16  0.68  molprobity  1.000  
 62   62  mt       -114.5   128.4  Favored    11   7.550   8  0.54  11  0.94  molprobity  1.000  
 63   63  mt        -80.5   120.0  Favored    11   7.720   8  0.58  11  0.49  molprobity  1.000  
 64   64  p        -106.1    -9.6  Favored     5  10.530   6  0.41   8  0.60  molprobity  1.000  
 65   65  ttpt     -156.8   131.7  Favored    13  12.660   9  0.80  11  0.58  molprobity  1.000  
 66   66  ?          93.9  -165.3  Favored     3   8.950   4  0.62   5  0.80  molprobity  1.000  
 67   67  p        -138.8   156.0  Favored     7   9.270   7  0.51  10  0.82  molprobity  1.000  
 68   68  m        -131.3   156.1  Favored     9   8.110   7  0.47  10  0.68  molprobity  1.000  
 69   69  m120     -108.5   135.7  Favored     6   9.630   8  0.56  11  0.60  molprobity  1.000  
 70   70  t        -103.2   127.7  Favored     9   7.760   7  0.40  10  0.58  molprobity  1.000  
 71   71  p        -140.0   162.9  Favored     7   8.590   7  0.51  10  0.71  molprobity  1.000  
 72   72  ptt180   -156.3   153.5  Favored    13  16.180  11  0.41  14  0.58  molprobity  1.000  
 73   73  pt-20     -87.5   131.1  Favored     6  21.160   9  0.40  12  0.87  molprobity  1.000  
 74   74  m-20      -92.9   -10.0  Favored     4  26.130   8  0.35  11  0.33  molprobity  1.000  
 75   75  t             ?       ?  ?           5  53.580   5  0.11   5  0.50  molprobity  1.000  
 76   76  OUTLIER       ?       ?  ?           3  35.820   8  0.25  12  0.52  molprobity  1.000  
 77   77  Cg_exo    -65.7   146.0  Favored     7  26.320   8  0.23  11  0.85  molprobity  1.000  
 78   78  m         -98.0   147.8  Favored     9  16.170   7  0.49  10  0.69  molprobity  1.000  
 79   79  t80       -73.5   131.9  Favored     9  12.660  12  0.54  16  0.35  molprobity  1.000  
 80   80  mt       -106.2   -54.5  Favored    11  11.300   8  0.56  11  0.46  molprobity  1.000  
 81   81  ptt180   -170.9   163.7  Favored    13  15.760  11  0.49  14  0.77  molprobity  1.000  
 82   82  m        -109.1   138.4  Favored     7  11.340   7  0.53  10  0.88  molprobity  1.000  
 83   83  mt       -118.1   155.6  Favored    11   9.660   8  0.50  11  0.65  molprobity  1.000  
 84   84  ?        -141.9  -163.9  Favored     3   8.960   4  0.46   5  0.28  molprobity  1.000  
 85   85  tttt      -51.9   124.0  Favored    13  13.190   9  0.45  11  0.58  molprobity  1.000  
 86   86  ?          97.1   -14.5  Favored     3   7.880   4  0.32   5  0.36  molprobity  1.000  
 87   87  m-20      -85.5   170.4  Favored     4   8.720   8  0.55  11  0.57  molprobity  1.000  
 88   88  p90      -143.9   172.6  Favored    10   8.100  16  0.38  23  0.40  molprobity  1.000  
 89   89  p90      -163.7   162.1  Favored     9   5.710  12  0.64  16  0.52  molprobity  1.000  
 90   90  ?          84.1     8.8  Favored     3   7.360   4  0.30   5  0.80  molprobity  1.000  
 91   91  pm0       -58.0   -26.4  Favored     6  10.960   9  0.50  12  0.91  molprobity  1.000  
 92   92  mtpm?     -62.8   -27.9  Favored    13  23.630   9  0.52  11  0.84  molprobity  1.000  
 93   93  ?         -63.3   -17.9  Favored     5  11.010   5  0.36   7  0.64  molprobity  1.000  
 94   94  mt        -77.5   -23.2  Favored    11   9.980   8  0.66  11  0.61  molprobity  1.000  
 95   95  mm-40     -87.1   -13.8  Favored     8  25.500   9  1.35  12  1.31  molprobity  1.000  
 96   96  ?         157.7  -165.3  Favored     3  21.690   4  0.47   5  0.48  molprobity  1.000  
 97   97  tm-20     -53.6   128.6  Favored     6  37.720   9  0.32  12  0.70  molprobity  1.000  
 98   98  t70      -141.0   140.4  Favored     4  19.570   8  0.59  11  0.59  molprobity  1.000  
 99   99  t        -110.5   127.0  Favored     9  11.620   7  0.62  10  0.86  molprobity  1.000  
100  100  mmt180    -66.7   144.3  Favored    13   8.090  11  0.63  14  0.41  molprobity  1.000  
101  101  p        -103.7    -4.9  Favored     7  10.680   7  0.23  10  0.50  molprobity  1.000  
102  102  ?        -156.2   155.3  Favored     5   6.880   5  0.70   7  0.60  molprobity  1.000  
103  103  m-20      -79.3   150.7  Favored     6   6.370   8  0.73  11  0.90  molprobity  1.000  
104  104  t        -129.7   116.8  Favored     9   5.490   7  0.75  10  1.05  molprobity  1.000  
105  105  mt       -120.0   131.8  Favored    11   8.350   8  0.61  11  0.44  molprobity  1.000  
106  106  ?         -62.4   135.2  Favored     5   7.690   5  0.56   7  0.58  molprobity  1.000  
107  107  ?        -105.7     6.0  Favored     5  11.310   5  0.35   7  0.84  molprobity  1.000  
108  108  pt-20    -179.4  -174.9  Allowed     6  13.290   9  0.34  12  0.86  molprobity  1.000  
109  109  ?         -65.5   127.0  Favored     5  11.280   5  0.37   7  0.65  molprobity  1.000  
110  110  t        -123.9   146.4  Favored     9   8.230   7  0.72  10  0.74  molprobity  1.000  
111  111  m        -124.2   133.3  Favored     7   9.090   7  0.88  10  1.08  molprobity  1.000  
112  112  m        -118.8   148.1  Favored     5   7.930   6  0.44   8  0.61  molprobity  1.000  
113  113  mt        -94.7   126.7  Favored    11   9.880   8  0.58  11  1.06  molprobity  1.000  
114  114  m        -122.2   152.7  Favored     9   8.800   7  0.40  10  0.54  molprobity  1.000  
115  115  tt       -147.0   138.9  Favored    11   8.150   8  0.41  11  0.74  molprobity  1.000  
116  116  p30       -95.7   171.8  Favored     4  11.150   8  0.68  11  0.88  molprobity  1.000  
117  117  ttp-105   -60.0   -42.9  Favored    13  12.840  11  0.47  14  0.86  molprobity  1.000  
118  118  m-20      -65.0   -43.6  Favored     4  10.500   8  0.52  11  0.39  molprobity  1.000  
119  119  m         -68.3   -39.0  Favored     5  10.310   6  0.61   8  0.68  molprobity  1.000  
120  120  t80       -63.4   -44.9  Favored     9   9.810  12  0.36  16  0.33  molprobity  1.000  
121  121  mtpt      -61.0   -39.3  Favored    13  11.880   9  0.35  11  0.36  molprobity  1.000  
122  122  t60       -64.7   -43.0  Favored     7  15.460  11  0.24  15  0.23  molprobity  1.000  
123  123  tp        -64.4   -49.5  Favored    11  17.230   8  0.45  11  0.61  molprobity  1.000  
124  124  mm        -66.8   -39.0  Favored    11  19.320   8  0.48  11  0.49  molprobity  1.000  
125  125  ?         -62.0   -29.9  Favored     3  15.220   4  0.38   5  0.38  molprobity  1.000  
126  126  ?         -82.3    -5.2  Favored     3  14.570   4  0.26   5  0.87  molprobity  1.000  
127  127  mt            ?       ?  ?          11  27.820   7  0.24   8  0.44  molprobity  1.000  
128  128  ?             ?       ?  ?           ?  13.610  38  0.60  47  0.68  mogul       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  0.53  2.08  
2    9  HG22  1  0.53  2.08  
3   50  HG23  2  0.45  1.98  
4  100  HG3   2  0.45  1.98  
#
loop_
_pdbx_vrpt_instance_mogul_bond_outliers.ordinal
_pdbx_vrpt_instance_mogul_bond_outliers.instance_id
_pdbx_vrpt_instance_mogul_bond_outliers.atom_1
_pdbx_vrpt_instance_mogul_bond_outliers.atom_2
_pdbx_vrpt_instance_mogul_bond_outliers.obsval
_pdbx_vrpt_instance_mogul_bond_outliers.mean
_pdbx_vrpt_instance_mogul_bond_outliers.numobs
_pdbx_vrpt_instance_mogul_bond_outliers.stdev
_pdbx_vrpt_instance_mogul_bond_outliers.Zscore
_pdbx_vrpt_instance_mogul_bond_outliers.mindiff
1  128  O25  C23  1.29  1.22  10000  0.03   2.20  0.00  
2  128  O24  C23  1.23  1.30  10000  0.03  -2.32  0.00  
#
_pdbx_vrpt_instance_mogul_angle_outliers.ordinal      1
_pdbx_vrpt_instance_mogul_angle_outliers.instance_id  128
_pdbx_vrpt_instance_mogul_angle_outliers.atom_1       O25
_pdbx_vrpt_instance_mogul_angle_outliers.atom_2       C23
_pdbx_vrpt_instance_mogul_angle_outliers.atom_3       C17
_pdbx_vrpt_instance_mogul_angle_outliers.obsval       116.06
_pdbx_vrpt_instance_mogul_angle_outliers.mean         121.45
_pdbx_vrpt_instance_mogul_angle_outliers.numobs       10000
_pdbx_vrpt_instance_mogul_angle_outliers.stdev        2.66
_pdbx_vrpt_instance_mogul_angle_outliers.Zscore       -2.02
_pdbx_vrpt_instance_mogul_angle_outliers.mindiff      0.00
#
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  128  N12  C13  C14  C19  -109.48  43.31  319  15.00   0.09  2.82  
2  128  C18  C19  N20  O21   -64.51  79.87  198  25.81  29.66  0.00  
3  128  C14  C19  N20  O21   116.25  72.39   33  24.64  32.06  0.00  
#
loop_
_pdbx_vrpt_model_instance_density.ordinal
_pdbx_vrpt_model_instance_density.instance_id
_pdbx_vrpt_model_instance_density.natoms_eds
_pdbx_vrpt_model_instance_density.RSRCC
_pdbx_vrpt_model_instance_density.RSR
_pdbx_vrpt_model_instance_density.RSRZ
  1    1   6  0.876  0.115   0.542  
  2    2   7  0.925  0.115   0.745  
  3    3   4  0.964  0.064  -0.370  
  4    4   8  0.941  0.096   0.214  
  5    5   8  0.937  0.113   0.778  
  6    6   9  0.939  0.114  -0.104  
  7    7  10  0.936  0.095   0.116  
  8    8  11  0.909  0.153   1.650  
  9    9  11  0.909  0.153   1.650  
 10   10   9  0.943  0.092  -0.401  
 11   11  12  0.941  0.083   0.074  
 12   12   8  0.984  0.058  -0.682  
 13   13   9  0.928  0.102  -0.246  
 14   14  11  0.937  0.091   0.308  
 15   15   8  0.943  0.091   0.063  
 16   16   9  0.839  0.130   0.164  
 17   17   6  0.922  0.089   0.020  
 18   18   7  0.892  0.113   0.811  
 19   19   7  0.921  0.101   0.327  
 20   20   7  0.941  0.081  -0.064  
 21   21  11  0.891  0.126   1.419  
 22   22   9  0.889  0.145   0.701  
 23   23   6  0.860  0.215   2.550  
 24   24   8  0.805  0.122   0.997  
 25   25   7  0.874  0.099   0.283  
 26   26   9  0.887  0.149   0.481  
 27   27   9  0.844  0.179   0.946  
 28   28   8  0.918  0.120   1.000  
 29   29   8  0.955  0.082  -0.208  
 30   30   6  0.956  0.073  -0.301  
 31   31   9  0.919  0.117  -0.054  
 32   32   8  0.939  0.083  -0.178  
 33   33   5  0.955  0.069  -0.326  
 34   34   8  0.907  0.093  -0.078  
 35   35  11  0.943  0.119   0.991  
 36   36  11  0.943  0.119   0.991  
 37   37   8  0.912  0.105   0.485  
 38   38   9  0.879  0.209   1.410  
 39   39   9  0.885  0.113  -0.076  
 40   40  11  0.868  0.173   2.126  
 41   41  11  0.868  0.173   2.126  
 42   42  10  0.924  0.093   0.077  
 43   43  12  0.917  0.105   0.751  
 44   44   9  0.913  0.121   0.048  
 45   45   8  0.894  0.097   0.088  
 46   46   4  0.948  0.133   1.089  
 47   47   9  0.944  0.077  -0.633  
 48   48  12  0.909  0.109   0.874  
 49   49   8  0.925  0.129   1.285  
 50   50  13  0.930  0.148   1.886  
 51   51  13  0.930  0.148   1.886  
 52   52  11  0.957  0.079  -0.483  
 53   53   9  0.944  0.080  -0.438  
 54   54   4  0.964  0.068  -0.285  
 55   55   5  0.958  0.086   0.091  
 56   56  11  0.927  0.093  -0.240  
 57   57   4  0.923  0.104   0.476  
 58   58   8  0.910  0.104   0.116  
 59   59   7  0.934  0.085   0.031  
 60   60  11  0.964  0.070  -0.359  
 61   61  11  0.952  0.087   0.181  
 62   62   8  0.940  0.114   0.810  
 63   63   8  0.937  0.100   0.367  
 64   64   6  0.916  0.090   0.040  
 65   65   9  0.909  0.110  -0.171  
 66   66   4  0.965  0.065  -0.349  
 67   67   7  0.967  0.057  -0.636  
 68   68   7  0.944  0.083  -0.090  
 69   69   8  0.962  0.063  -0.563  
 70   70   7  0.957  0.071  -0.450  
 71   71   7  0.948  0.087   0.079  
 72   72  11  0.919  0.097  -0.171  
 73   73   9  0.833  0.210   1.426  
 74   74   8  0.830  0.230   2.339  
 75   75   6  0.641  0.264   3.534  
 76   76   8  0.795  0.211   2.004  
 77   77   7  0.817  0.207   2.667  
 78   78   7  0.888  0.136   1.502  
 79   79  11  0.873  0.107   0.816  
 80   80   8  0.868  0.113   0.726  
 81   81  11  0.901  0.102  -0.085  
 82   82   7  0.898  0.136   1.245  
 83   83   8  0.947  0.084  -0.148  
 84   84   4  0.963  0.067  -0.307  
 85   85   9  0.894  0.160   0.667  
 86   86   4  0.955  0.077  -0.095  
 87   87   8  0.936  0.086  -0.201  
 88   88  14  0.953  0.088   0.348  
 89   89  11  0.958  0.083   0.054  
 90   90   4  0.952  0.083   0.032  
 91   91   9  0.917  0.092  -0.401  
 92   92   9  0.945  0.121   0.013  
 93   93   5  0.942  0.087   0.115  
 94   94   8  0.914  0.112   0.696  
 95   95   9  0.765  0.187   1.436  
 96   96   4  0.873  0.132   1.068  
 97   97   9  0.776  0.280   2.509  
 98   98   8  0.767  0.157   1.051  
 99   99   7  0.913  0.091   0.150  
100  100  11  0.935  0.094  -0.223  
101  101   7  0.932  0.085   0.031  
102  102   5  0.943  0.104   0.532  
103  103   8  0.968  0.077  -0.295  
104  104   7  0.967  0.067  -0.571  
105  105   8  0.959  0.094   0.177  
106  106   5  0.925  0.098   0.385  
107  107   5  0.927  0.090   0.189  
108  108   9  0.932  0.078  -0.618  
109  109   5  0.919  0.104   0.532  
110  110   7  0.946  0.086   0.000  
111  111   7  0.941  0.094   0.245  
112  112   6  0.965  0.080   0.192  
113  113   8  0.929  0.113   0.726  
114  114   7  0.939  0.101   0.450  
115  115   8  0.953  0.074  -0.456  
116  116   8  0.879  0.126   0.504  
117  117  11  0.953  0.078  -0.500  
118  118   8  0.947  0.073  -0.430  
119  119   6  0.935  0.081  -0.141  
120  120  11  0.954  0.075  -0.200  
121  121   9  0.918  0.096  -0.405  
122  122  10  0.842  0.125   0.708  
123  123   8  0.887  0.102   0.395  
124  124   8  0.919  0.106   0.557  
125  125   4  0.860  0.096   0.307  
126  126   4  0.914  0.089   0.159  
127  127   8  0.820  0.162   2.202  
128  128  37  0.856  0.122       ?  
#
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  
##
