data_2HYP

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  2HYP
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    2HYP
_pdbx_vrpt_summary.PDB_deposition_date         2006-08-07
_pdbx_vrpt_summary.PDB_revision_number         5
_pdbx_vrpt_summary.PDB_revision_date           2021-10-20
_pdbx_vrpt_summary.report_creation_date        2021-10-11:22:55
_pdbx_vrpt_summary.attempted_validation_steps  molprobity,validation-pack,xtriage,eds,mogul,percentiles,writexml,writecif,writepdf
_pdbx_vrpt_summary.ligands_for_buster_report   N
#
loop_
_pdbx_vrpt_entity.id
_pdbx_vrpt_entity.type
_pdbx_vrpt_entity.description
1  polymer      "Hypothetical protein RV0805"  
2  non-polymer  "FE (III) ION"  
3  non-polymer  "MANGANESE (II) ION"  
4  non-polymer  "BROMIDE ION"  
5  non-polymer  "CACODYLATE ION"  
6  water        water  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  2  
C  3  
D  4  
E  4  
F  4  
G  4  
H  5  
I  6  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all   x-ray  
2  2.05  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  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   77.74  141614     ?     ?  
2  2  1   72.93    1773  2.04  2.04  
3  1  2  100.00  138981     ?     ?  
4  2  2  100.00    1752  2.04  2.04  
5  1  3   44.48  138945     ?     ?  
6  2  3   38.13    1752  2.04  2.04  
7  1  4   36.52  130704     ?     ?  
8  2  4   31.12    1692  2.04  2.04  
#
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   44.48  
4  6  3  A  1  1  A   38.13  
#
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  0.57  0.38  1777  2425  
2  1  2  B  A     ?     ?     ?     ?  
3  1  3  C  A     ?     ?     ?     ?  
4  1  4  D  A     ?     ?     ?     ?  
5  1  4  E  A     ?     ?     ?     ?  
6  1  4  F  A     ?     ?     ?     ?  
7  1  4  G  A     ?     ?     ?     ?  
8  1  5  H  A     ?     ?     ?     ?  
9  1  6  I  A     ?     ?     ?     ?  
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  0.00
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       2.69
_pdbx_vrpt_summary_geometry.clashscore                     2.87
_pdbx_vrpt_summary_geometry.num_H_reduce                   1735
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 1777
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.38
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                2425
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.57
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.Babinet_b                 78.284
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            59.630
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         38.581
_pdbx_vrpt_summary_diffraction.I_over_sigma              2.46(2.05A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        16573
_pdbx_vrpt_summary_diffraction.Babinet_k                 0.409
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.353
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.494
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.331
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.941
_pdbx_vrpt_summary_diffraction.DCC_R                     0.21
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.25
_pdbx_vrpt_summary_diffraction.EDS_R                     0.26
_pdbx_vrpt_summary_diffraction.EDS_res_high              2.05
_pdbx_vrpt_summary_diffraction.EDS_res_low               47.62
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[33.138,33.011,65.221,0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.736
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 6.86% of the height of the origin peak. No significant pseudotranslation is detected."
_pdbx_vrpt_summary_diffraction.B_factor_type             PARTIAL
_pdbx_vrpt_summary_diffraction.acentric_outliers         2
_pdbx_vrpt_summary_diffraction.centric_outliers          0
_pdbx_vrpt_summary_diffraction.data_completeness         95.91
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      1671
_pdbx_vrpt_summary_diffraction.percent_free_reflections  10.08
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       2.05
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        50.00
_pdbx_vrpt_summary_diffraction.PDB_R                     0.21
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.26
#
loop_
_pdbx_vrpt_model_instance.id
_pdbx_vrpt_model_instance.PDB_model_num
_pdbx_vrpt_model_instance.entity_id
_pdbx_vrpt_model_instance.label_asym_id
_pdbx_vrpt_model_instance.label_seq_id
_pdbx_vrpt_model_instance.label_comp_id
_pdbx_vrpt_model_instance.auth_asym_id
_pdbx_vrpt_model_instance.auth_seq_id
_pdbx_vrpt_model_instance.label_alt_id
_pdbx_vrpt_model_instance.PDB_ins_code
_pdbx_vrpt_model_instance.count_clashes
_pdbx_vrpt_model_instance.count_symm_clashes
  1  1  1  A   12  PRO  A   10  .  ?        ?     ?  
  2  1  1  A   13  ARG  A   11  .  ?        ?     ?  
  3  1  1  A   14  PRO  A   12  .  ?        2     ?  
  4  1  1  A   15  ASP  A   13  .  ?        ?     ?  
  5  1  1  A   16  TYR  A   14  .  ?        ?     ?  
  6  1  1  A   17  VAL  A   15  .  ?        ?     ?  
  7  1  1  A   18  LEU  A   16  .  ?        1     ?  
  8  1  1  A   19  LEU  A   17  .  ?        1     ?  
  9  1  1  A   20  HIS  A   18  .  ?        ?     ?  
 10  1  1  A   21  ILE  A   19  .  ?        ?     ?  
 11  1  1  A   22  SER  A   20  .  ?        ?     ?  
 12  1  1  A   23  ASP  A   21  .  ?        ?     ?  
 13  1  1  A   24  THR  A   22  .  ?        ?     ?  
 14  1  1  A   25  HIS  A   23  .  ?        ?     ?  
 15  1  1  A   26  LEU  A   24  .  ?        ?     ?  
 16  1  1  A   27  ILE  A   25  .  ?        ?     ?  
 17  1  1  A   28  GLY  A   26  .  ?        ?     ?  
 18  1  1  A   29  GLY  A   27  .  ?        ?     ?  
 19  1  1  A   30  ASP  A   28  .  ?        ?     ?  
 20  1  1  A   38  ASP  A   36  .  ?        ?     ?  
 21  1  1  A   39  ALA  A   37  .  ?        ?     ?  
 22  1  1  A   40  ASP  A   38  .  ?        ?     ?  
 23  1  1  A   41  ASP  A   39  .  ?        ?     ?  
 24  1  1  A   42  ARG  A   40  .  ?        ?     ?  
 25  1  1  A   43  LEU  A   41  .  ?        ?     ?  
 26  1  1  A   44  GLY  A   42  .  ?        ?     ?  
 27  1  1  A   45  GLU  A   43  .  ?        ?     ?  
 28  1  1  A   46  LEU  A   44  .  ?        ?     ?  
 29  1  1  A   47  LEU  A   45  .  ?        ?     ?  
 30  1  1  A   48  GLU  A   46  .  ?        ?     ?  
 31  1  1  A   49  GLN  A   47  .  ?        ?     ?  
 32  1  1  A   50  LEU  A   48  .  ?        1     ?  
 33  1  1  A   51  ASN  A   49  .  ?        ?     ?  
 34  1  1  A   52  GLN  A   50  .  ?        ?     ?  
 35  1  1  A   53  SER  A   51  .  ?        ?     ?  
 36  1  1  A   54  GLY  A   52  .  ?        ?     ?  
 37  1  1  A   55  LEU  A   53  .  ?        ?     ?  
 38  1  1  A   56  ARG  A   54  .  ?        ?     ?  
 39  1  1  A   57  PRO  A   55  .  ?        ?     ?  
 40  1  1  A   58  ASP  A   56  .  ?        ?     ?  
 41  1  1  A   59  ALA  A   57  .  ?        ?     ?  
 42  1  1  A   60  ILE  A   58  .  ?        ?     ?  
 43  1  1  A   61  VAL  A   59  .  ?        ?     ?  
 44  1  1  A   62  PHE  A   60  .  ?        ?     ?  
 45  1  1  A   63  THR  A   61  .  ?        ?     ?  
 46  1  1  A   64  GLY  A   62  .  ?        ?     ?  
 47  1  1  A   65  ASP  A   63  .  ?        1     ?  
 48  1  1  A   66  LEU  A   64  .  ?        ?     ?  
 49  1  1  A   67  ALA  A   65  .  ?        ?     ?  
 50  1  1  A   68  ALA  A   66  .  ?        ?     ?  
 51  1  1  A   69  LYS  A   67  .  ?        ?     ?  
 52  1  1  A   70  GLY  A   68  .  ?        ?     ?  
 53  1  1  A   71  GLU  A   69  .  ?        ?     ?  
 54  1  1  A   72  PRO  A   70  .  ?        ?     ?  
 55  1  1  A   73  ALA  A   71  .  ?        ?     ?  
 56  1  1  A   74  ALA  A   72  .  ?        ?     ?  
 57  1  1  A   75  TYR  A   73  .  ?        ?     ?  
 58  1  1  A   76  ARG  A   74  .  ?        ?     ?  
 59  1  1  A   77  LYS  A   75  .  ?        ?     ?  
 60  1  1  A   78  LEU  A   76  .  ?        ?     ?  
 61  1  1  A   79  ARG  A   77  .  ?        ?     ?  
 62  1  1  A   80  GLY  A   78  .  ?        ?     ?  
 63  1  1  A   81  LEU  A   79  .  ?        ?     ?  
 64  1  1  A   82  VAL  A   80  .  ?        1     ?  
 65  1  1  A   83  GLU  A   81  .  ?        ?     ?  
 66  1  1  A   84  PRO  A   82  .  ?        ?     ?  
 67  1  1  A   85  PHE  A   83  .  ?        ?     ?  
 68  1  1  A   86  ALA  A   84  .  ?        ?     ?  
 69  1  1  A   87  ALA  A   85  .  ?        ?     ?  
 70  1  1  A   88  GLN  A   86  .  ?        ?     ?  
 71  1  1  A   89  LEU  A   87  .  ?        ?     ?  
 72  1  1  A   90  GLY  A   88  .  ?        ?     ?  
 73  1  1  A   91  ALA  A   89  .  ?        ?     ?  
 74  1  1  A   92  GLU  A   90  .  ?        ?     ?  
 75  1  1  A   93  LEU  A   91  .  ?        1     ?  
 76  1  1  A   94  VAL  A   92  .  ?        ?     ?  
 77  1  1  A   95  TRP  A   93  .  ?        ?     ?  
 78  1  1  A   96  VAL  A   94  .  ?        ?     ?  
 79  1  1  A   97  MET  A   95  .  ?        ?     ?  
 80  1  1  A   98  GLY  A   96  .  ?        1     ?  
 81  1  1  A   99  ASN  A   97  .  ?        ?     ?  
 82  1  1  A  100  HIS  A   98  .  ?        ?     ?  
 83  1  1  A  101  ASP  A   99  .  ?        ?     ?  
 84  1  1  A  102  ASP  A  100  .  ?        ?     ?  
 85  1  1  A  103  ARG  A  101  .  ?        ?     ?  
 86  1  1  A  104  ALA  A  102  .  ?        ?     ?  
 87  1  1  A  105  GLU  A  103  .  ?        ?     ?  
 88  1  1  A  106  LEU  A  104  .  ?        ?     ?  
 89  1  1  A  107  ARG  A  105  .  ?        ?     ?  
 90  1  1  A  108  LYS  A  106  .  ?        ?     ?  
 91  1  1  A  109  PHE  A  107  .  ?        ?     ?  
 92  1  1  A  110  LEU  A  108  .  ?        ?     ?  
 93  1  1  A  111  LEU  A  109  .  ?        ?     ?  
 94  1  1  A  112  ASP  A  110  .  ?        ?     ?  
 95  1  1  A  113  GLU  A  111  .  ?        ?     ?  
 96  1  1  A  114  ALA  A  112  .  ?        ?     ?  
 97  1  1  A  115  PRO  A  113  .  ?        ?     ?  
 98  1  1  A  116  SER  A  114  .  ?        ?     ?  
 99  1  1  A  117  MET  A  115  .  ?        ?     ?  
100  1  1  A  118  ALA  A  116  .  ?        ?     ?  
101  1  1  A  119  PRO  A  117  .  ?        ?     ?  
102  1  1  A  120  LEU  A  118  .  ?        ?     ?  
103  1  1  A  121  ASP  A  119  .  ?        1     ?  
104  1  1  A  122  ARG  A  120  .  ?        ?     ?  
105  1  1  A  123  VAL  A  121  .  ?        ?     ?  
106  1  1  A  124  CYS  A  122  .  ?        ?     ?  
107  1  1  A  125  MET  A  123  .  ?        ?     ?  
108  1  1  A  126  ILE  A  124  .  ?        ?     ?  
109  1  1  A  127  ASP  A  125  .  ?        ?     ?  
110  1  1  A  128  GLY  A  126  .  ?        ?     ?  
111  1  1  A  129  LEU  A  127  .  ?        ?     ?  
112  1  1  A  130  ARG  A  128  .  ?        ?     ?  
113  1  1  A  131  ILE  A  129  .  ?        ?     ?  
114  1  1  A  132  ILE  A  130  .  ?        ?     ?  
115  1  1  A  133  VAL  A  131  .  ?        ?     ?  
116  1  1  A  134  LEU  A  132  .  ?        ?     ?  
117  1  1  A  135  ASP  A  133  .  ?        ?     ?  
118  1  1  A  136  THR  A  134  .  ?        ?     ?  
119  1  1  A  137  SER  A  135  .  ?        ?     ?  
120  1  1  A  138  VAL  A  136  .  ?        ?     ?  
121  1  1  A  139  PRO  A  137  .  ?        ?     ?  
122  1  1  A  140  GLY  A  138  .  ?        ?     ?  
123  1  1  A  141  HIS  A  139  .  ?        ?     ?  
124  1  1  A  142  HIS  A  140  .  ?        ?     ?  
125  1  1  A  143  HIS  A  141  .  ?        ?     ?  
126  1  1  A  144  GLY  A  142  .  ?        ?     ?  
127  1  1  A  145  GLU  A  143  .  ?        ?     1  
128  1  1  A  146  ILE  A  144  .  ?        ?     ?  
129  1  1  A  147  ARG  A  145  .  ?        1     ?  
130  1  1  A  148  ALA  A  146  .  ?        ?     ?  
131  1  1  A  149  SER  A  147  .  ?        ?     ?  
132  1  1  A  150  GLN  A  148  .  ?        1     ?  
133  1  1  A  151  LEU  A  149  .  ?        ?     ?  
134  1  1  A  152  GLY  A  150  .  ?        ?     ?  
135  1  1  A  153  TRP  A  151  .  ?        ?     ?  
136  1  1  A  154  LEU  A  152  .  ?        ?     ?  
137  1  1  A  155  ALA  A  153  .  ?        ?     ?  
138  1  1  A  156  GLU  A  154  .  ?        ?     ?  
139  1  1  A  157  GLU  A  155  .  ?        ?     ?  
140  1  1  A  158  LEU  A  156  .  ?        ?     ?  
141  1  1  A  159  ALA  A  157  .  ?        ?     ?  
142  1  1  A  160  THR  A  158  .  ?        ?     ?  
143  1  1  A  161  PRO  A  159  .  ?        ?     ?  
144  1  1  A  162  ALA  A  160  .  ?        ?     ?  
145  1  1  A  163  PRO  A  161  .  ?        ?     ?  
146  1  1  A  164  ASP  A  162  .  ?        ?     ?  
147  1  1  A  165  GLY  A  163  .  ?        ?     ?  
148  1  1  A  166  THR  A  164  .  ?        ?     ?  
149  1  1  A  167  ILE  A  165  .  ?        ?     ?  
150  1  1  A  168  LEU  A  166  .  ?        ?     ?  
151  1  1  A  169  ALA  A  167  .  ?        ?     ?  
152  1  1  A  170  LEU  A  168  .  ?        ?     ?  
153  1  1  A  171  HIS  A  169  .  ?        ?     ?  
154  1  1  A  172  HIS  A  170  .  ?        ?     ?  
155  1  1  A  173  PRO  A  171  .  ?        ?     ?  
156  1  1  A  174  PRO  A  172  .  ?        ?     ?  
157  1  1  A  175  ILE  A  173  .  ?        ?     ?  
158  1  1  A  176  PRO  A  174  .  ?        ?     ?  
159  1  1  A  177  SER  A  175  .  ?        ?     ?  
160  1  1  A  178  VAL  A  176  .  ?        ?     ?  
161  1  1  A  179  LEU  A  177  .  ?        ?     ?  
162  1  1  A  180  ASP  A  178  .  ?        ?     ?  
163  1  1  A  181  MET  A  179  .  ?        ?     ?  
164  1  1  A  182  ALA  A  180  .  ?        ?     ?  
165  1  1  A  183  VAL  A  181  .  ?        ?     ?  
166  1  1  A  184  THR  A  182  .  ?        ?     ?  
167  1  1  A  185  VAL  A  183  .  ?        ?     ?  
168  1  1  A  186  GLU  A  184  .  ?        ?     ?  
169  1  1  A  187  LEU  A  185  .  ?        ?     ?  
170  1  1  A  188  ARG  A  186  .  ?        ?     ?  
171  1  1  A  189  ASP  A  187  .  ?        ?     ?  
172  1  1  A  190  GLN  A  188  .  ?        ?     ?  
173  1  1  A  191  ALA  A  189  .  ?        ?     ?  
174  1  1  A  192  ALA  A  190  .  ?        ?     ?  
175  1  1  A  193  LEU  A  191  .  ?        ?     ?  
176  1  1  A  194  GLY  A  192  .  ?        ?     ?  
177  1  1  A  195  ARG  A  193  .  ?        ?     ?  
178  1  1  A  196  VAL  A  194  .  ?        ?     ?  
179  1  1  A  197  LEU  A  195  .  ?        ?     ?  
180  1  1  A  198  ARG  A  196  .  ?        ?     ?  
181  1  1  A  199  GLY  A  197  .  ?        ?     ?  
182  1  1  A  200  THR  A  198  .  ?        ?     ?  
183  1  1  A  201  ASP  A  199  .  ?        ?     ?  
184  1  1  A  202  VAL  A  200  .  ?        ?     ?  
185  1  1  A  203  ARG  A  201  .  ?        ?     ?  
186  1  1  A  204  ALA  A  202  .  ?        ?     ?  
187  1  1  A  205  ILE  A  203  .  ?        ?     ?  
188  1  1  A  206  LEU  A  204  .  ?        ?     ?  
189  1  1  A  207  ALA  A  205  .  ?        ?     ?  
190  1  1  A  208  GLY  A  206  .  ?        ?     ?  
191  1  1  A  209  HIS  A  207  .  ?        ?     ?  
192  1  1  A  210  LEU  A  208  .  ?        ?     ?  
193  1  1  A  211  HIS  A  209  .  ?        ?     ?  
194  1  1  A  212  TYR  A  210  .  ?        ?     ?  
195  1  1  A  213  SER  A  211  .  ?        ?     ?  
196  1  1  A  214  THR  A  212  .  ?        ?     ?  
197  1  1  A  215  ASN  A  213  .  ?        ?     ?  
198  1  1  A  216  ALA  A  214  .  ?        ?     ?  
199  1  1  A  217  THR  A  215  .  ?        ?     ?  
200  1  1  A  218  PHE  A  216  .  ?        ?     ?  
201  1  1  A  219  VAL  A  217  .  ?        ?     ?  
202  1  1  A  220  GLY  A  218  .  ?        ?     ?  
203  1  1  A  221  ILE  A  219  .  ?        ?     ?  
204  1  1  A  222  PRO  A  220  .  ?        ?     ?  
205  1  1  A  223  VAL  A  221  .  ?        ?     ?  
206  1  1  A  224  SER  A  222  .  ?        ?     ?  
207  1  1  A  225  VAL  A  223  .  ?        ?     ?  
208  1  1  A  226  ALA  A  224  .  ?        ?     ?  
209  1  1  A  227  SER  A  225  .  ?        ?     ?  
210  1  1  A  228  ALA  A  226  .  ?        ?     ?  
211  1  1  A  229  THR  A  227  .  ?        ?     ?  
212  1  1  A  230  CYS  A  228  .  ?        ?     ?  
213  1  1  A  250  GLY  A  248  .  ?        ?     ?  
214  1  1  A  251  CYS  A  249  .  ?        ?     ?  
215  1  1  A  252  ASN  A  250  .  ?        ?     ?  
216  1  1  A  253  LEU  A  251  .  ?        1     ?  
217  1  1  A  254  VAL  A  252  .  ?        1     ?  
218  1  1  A  255  HIS  A  253  .  ?        3     ?  
219  1  1  A  256  VAL  A  254  .  ?        ?     ?  
220  1  1  A  257  TYR  A  255  .  ?        ?     ?  
221  1  1  A  258  PRO  A  256  .  ?        ?     ?  
222  1  1  A  259  ASP  A  257  .  ?        ?     ?  
223  1  1  A  260  THR  A  258  .  ?        ?     ?  
224  1  1  A  261  VAL  A  259  .  ?        ?     ?  
225  1  1  A  262  VAL  A  260  .  ?        ?     ?  
226  1  1  A  263  HIS  A  261  .  ?        ?     ?  
227  1  1  A  264  SER  A  262  .  ?        ?     ?  
228  1  1  A  265  VAL  A  263  .  ?        ?     ?  
229  1  1  A  266  ILE  A  264  .  ?        ?     ?  
230  1  1  A  267  PRO  A  265  .  ?        ?     ?  
231  1  2  B    .  FE   A  444  .  ?        ?     ?  
232  1  3  C    .  MN   A  555  .  ?        ?     ?  
233  1  4  D    .  BR   A  301  .  ?        ?     ?  
234  1  4  E    .  BR   A  302  .  ?        ?     ?  
235  1  4  F    .  BR   A  303  .  ?        1     ?  
236  1  4  G    .  BR   A  304  .  ?        ?     ?  
237  1  5  H    .  CAC  A  400  .  ?        1     ?  
238  1  6  I    .  HOH  A  556  .  ?        ?     ?  
239  1  6  I    .  HOH  A  557  .  ?        ?     ?  
240  1  6  I    .  HOH  A  558  .  ?        ?     ?  
241  1  6  I    .  HOH  A  559  .  ?        ?     ?  
242  1  6  I    .  HOH  A  560  .  ?        ?     ?  
243  1  6  I    .  HOH  A  561  .  ?        ?     ?  
244  1  6  I    .  HOH  A  562  .  ?        ?     ?  
245  1  6  I    .  HOH  A  563  .  ?        ?     ?  
246  1  6  I    .  HOH  A  564  .  ?        ?     ?  
247  1  6  I    .  HOH  A  565  .  ?        ?     ?  
248  1  6  I    .  HOH  A  566  .  ?        ?     ?  
249  1  6  I    .  HOH  A  567  .  ?        ?     ?  
250  1  6  I    .  HOH  A  568  .  ?        ?     ?  
251  1  6  I    .  HOH  A  569  .  ?        ?     ?  
252  1  6  I    .  HOH  A  570  .  ?        ?     ?  
253  1  6  I    .  HOH  A  571  .  ?        ?     ?  
254  1  6  I    .  HOH  A  572  .  ?        ?     ?  
255  1  6  I    .  HOH  A  573  .  ?        ?     ?  
256  1  6  I    .  HOH  A  574  .  ?        ?     ?  
257  1  6  I    .  HOH  A  575  .  ?        ?     ?  
258  1  6  I    .  HOH  A  576  .  ?        ?     ?  
259  1  6  I    .  HOH  A  577  .  ?        ?     ?  
260  1  6  I    .  HOH  A  578  .  ?        ?     ?  
261  1  6  I    .  HOH  A  579  .  ?        ?     ?  
262  1  6  I    .  HOH  A  580  .  ?        ?     ?  
263  1  6  I    .  HOH  A  581  .  ?        ?     ?  
264  1  6  I    .  HOH  A  582  .  ?        ?     ?  
265  1  6  I    .  HOH  A  583  .  ?        ?     ?  
266  1  6  I    .  HOH  A  584  .  ?        ?     1  
267  1  6  I    .  HOH  A  585  .  ?        ?     ?  
268  1  6  I    .  HOH  A  586  .  ?        ?     ?  
269  1  6  I    .  HOH  A  587  .  ?        ?     ?  
270  1  6  I    .  HOH  A  588  .  ?        ?     ?  
271  1  6  I    .  HOH  A  589  .  ?        ?     ?  
272  1  6  I    .  HOH  A  590  .  ?        ?     ?  
273  1  6  I    .  HOH  A  591  .  ?        ?     ?  
274  1  6  I    .  HOH  A  592  .  ?        ?     ?  
275  1  6  I    .  HOH  A  593  .  ?        ?     ?  
276  1  6  I    .  HOH  A  594  .  ?        ?     ?  
277  1  6  I    .  HOH  A  595  .  ?        ?     ?  
278  1  6  I    .  HOH  A  596  .  ?        ?     ?  
279  1  6  I    .  HOH  A  597  .  ?        ?     ?  
280  1  6  I    .  HOH  A  598  .  ?        ?     ?  
281  1  6  I    .  HOH  A  599  .  ?        ?     ?  
282  1  6  I    .  HOH  A  600  .  ?        ?     ?  
283  1  6  I    .  HOH  A  601  .  ?        ?     ?  
284  1  6  I    .  HOH  A  602  .  ?        ?     ?  
285  1  6  I    .  HOH  A  603  .  ?        ?     ?  
286  1  6  I    .  HOH  A  604  .  ?        ?     ?  
287  1  6  I    .  HOH  A  605  .  ?        ?     ?  
288  1  6  I    .  HOH  A  606  .  ?        ?     ?  
289  1  6  I    .  HOH  A  607  .  ?        ?     ?  
290  1  6  I    .  HOH  A  608  .  ?        1     ?  
291  1  6  I    .  HOH  A  609  .  ?        ?     ?  
292  1  6  I    .  HOH  A  610  .  ?        ?     ?  
#
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.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
  1    1  Cg_endo       ?       ?  ?           7   8  0.27  11  0.37  molprobity  
  2    2  mmm180    -76.0   126.9  Favored    13  11  0.62  15  0.72  molprobity  
  3    3  Cg_endo   -66.2   159.8  Favored     7   8  0.47  11  0.38  molprobity  
  4    4  m-20      -70.1   -41.7  Favored     4   8  0.37  11  0.61  molprobity  
  5    5  m-85     -141.1   146.6  Favored     9  13  0.44  18  0.36  molprobity  
  6    6  t        -120.6   130.5  Favored     9   7  0.26  10  0.59  molprobity  
  7    7  mp       -125.3   147.1  Favored    11   8  0.37  11  1.61  molprobity  
  8    8  tp       -105.2   126.5  Favored    11   8  0.32  11  1.07  molprobity  
  9    9  t-160    -112.2   107.0  Favored     7  11  0.24  15  0.49  molprobity  
 10   10  mt       -118.0   149.2  Favored    11   8  0.39  11  0.56  molprobity  
 11   11  t        -153.1   159.1  Favored     5   6  0.36   8  0.60  molprobity  
 12   12  m-20       49.6    58.4  Favored     4   8  0.34  11  0.83  molprobity  
 13   13  p         -72.1   -35.8  Favored     7   7  0.34  10  0.72  molprobity  
 14   14  m-70       53.6    51.6  Favored     7  11  0.27  15  0.41  molprobity  
 15   15  mt        -76.9   148.6  Favored    11   8  0.27  11  0.75  molprobity  
 16   16  pt       -115.7  -168.3  Allowed    11   8  0.45  11  0.28  molprobity  
 17   17  ?         -62.0   -57.1  Favored     3   4  0.45   5  0.24  molprobity  
 18   18  ?         137.2   109.2  Allowed     3   4  0.19   5  0.35  molprobity  
 19   19  t0            ?       ?  ?           4   7  0.29   8  0.53  molprobity  
 20   20  p-10          ?       ?  ?           3   8  0.18  11  0.50  molprobity  
 21   21  ?         -67.8   -20.6  Favored     5   5  0.30   7  0.55  molprobity  
 22   22  t0        -64.1   -53.9  Favored     4   8  0.17  11  0.34  molprobity  
 23   23  m-20      -68.6   -38.8  Favored     4   8  0.16  11  0.33  molprobity  
 24   24  mmt180    -57.2   -41.1  Favored    13  11  0.54  14  0.73  molprobity  
 25   25  tp        -75.1   -39.2  Favored    11   8  0.41  11  0.45  molprobity  
 26   26  ?         -55.8   -50.1  Favored     3   4  0.14   5  0.57  molprobity  
 27   27  mt-10     -59.4   -35.5  Favored     6   9  0.30  12  0.41  molprobity  
 28   28  tp        -66.9   -50.4  Favored    11   8  0.30  11  0.31  molprobity  
 29   29  mt        -59.9   -40.5  Favored    11   8  0.21  11  0.63  molprobity  
 30   30  tp10      -64.2   -44.5  Favored     6   9  0.37  12  0.46  molprobity  
 31   31  mt-30     -57.6   -53.9  Favored     8   9  0.42  12  0.48  molprobity  
 32   32  mt        -64.0   -28.7  Favored    11   8  0.31  11  0.55  molprobity  
 33   33  t-20      -71.6   -31.9  Favored     6   8  0.25  11  0.37  molprobity  
 34   34  mt-30     -89.0   -14.7  Favored     8   9  0.27  12  0.30  molprobity  
 35   35  p         -73.8   -21.8  Favored     5   6  0.25   8  0.18  molprobity  
 36   36  ?          84.5    11.9  Favored     3   4  0.27   5  0.14  molprobity  
 37   37  mt        -63.2   143.0  Favored    11   8  0.30  11  0.67  molprobity  
 38   38  mmt180   -130.7    78.2  Favored    13  11  0.27  15  0.68  molprobity  
 39   39  Cg_endo   -77.9   154.7  Favored     7   8  0.33  11  0.42  molprobity  
 40   40  m-20      -73.1   -36.7  Favored     4   8  0.33  11  0.51  molprobity  
 41   41  ?        -146.0   156.1  Favored     5   5  0.67   7  0.48  molprobity  
 42   42  mt       -123.0   111.3  Favored    11   8  0.30  11  0.71  molprobity  
 43   43  t        -103.3   124.2  Favored     9   7  0.61  10  0.70  molprobity  
 44   44  m-85     -109.1   103.5  Favored     9  12  0.56  16  0.44  molprobity  
 45   45  p         -86.1    48.9  Allowed     7   7  0.50  10  0.85  molprobity  
 46   46  ?          97.4   172.7  Favored     3   4  0.54   5  1.02  molprobity  
 47   47  m-20       50.8    51.0  Favored     4   8  0.40  11  0.88  molprobity  
 48   48  mt        -71.7   -44.3  Favored    11   8  0.38  11  0.76  molprobity  
 49   49  ?        -116.0   138.6  Favored     5   5  0.37   7  0.54  molprobity  
 50   50  ?         -69.0   -36.6  Favored     5   5  0.20   7  0.42  molprobity  
 51   51  mttm     -124.3    19.6  Favored    13   9  0.27  11  0.37  molprobity  
 52   52  ?          55.0    28.5  Favored     3   4  0.55   5  0.47  molprobity  
 53   53  mt-10     -72.7   136.6  Favored     6   9  0.32  13  0.68  molprobity  
 54   54  Cg_exo    -47.2   -43.1  Favored     7   8  0.19  11  0.44  molprobity  
 55   55  ?         -64.1   -33.5  Favored     5   5  0.28   7  0.37  molprobity  
 56   56  ?         -70.3   -38.0  Favored     5   5  0.12   7  0.28  molprobity  
 57   57  m-85      -69.4   -42.2  Favored     9  13  0.34  18  0.37  molprobity  
 58   58  mtm105    -60.4   -40.0  Favored    13  11  0.72  14  0.88  molprobity  
 59   59  ttmt      -65.0   -47.4  Favored    13   9  0.22  11  0.43  molprobity  
 60   60  tp        -60.1   -48.8  Favored    11   8  0.21  11  0.77  molprobity  
 61   61  ttt180    -58.8   -39.4  Favored    13  11  0.23  14  0.36  molprobity  
 62   62  ?         -70.7   -28.9  Favored     3   4  0.38   5  0.38  molprobity  
 63   63  mt        -81.5   -37.0  Favored    11   8  0.28  11  0.75  molprobity  
 64   64  t         -91.9   -42.0  Favored     9   7  0.45  10  0.58  molprobity  
 65   65  mt-10     -58.8   -45.1  Favored     6   9  0.45  13  0.76  molprobity  
 66   66  Cg_exo    -59.7   -38.8  Favored     7   8  0.24  11  0.35  molprobity  
 67   67  t80       -59.6   -51.3  Favored     9  12  0.71  16  0.37  molprobity  
 68   68  ?         -65.4   -43.7  Favored     5   5  0.33   7  0.48  molprobity  
 69   69  ?         -63.0   -37.2  Favored     5   5  0.34   7  0.42  molprobity  
 70   70  tm0?      -66.2   -32.4  Favored     8   9  0.39  12  0.38  molprobity  
 71   71  mt        -88.5   -10.7  Favored    11   8  0.20  11  0.39  molprobity  
 72   72  ?          67.8    20.8  Favored     3   4  0.25   5  0.41  molprobity  
 73   73  ?         -88.7   144.9  Favored     5   5  0.30   7  0.53  molprobity  
 74   74  tp10      -75.4   138.6  Favored     6   9  0.45  12  0.50  molprobity  
 75   75  mt        -96.7   130.0  Favored    11   8  0.18  11  0.53  molprobity  
 76   76  t        -127.0   105.9  Favored     9   7  0.60  10  0.48  molprobity  
 77   77  m95       -98.7   141.3  Favored    10  16  0.54  23  0.55  molprobity  
 78   78  t        -128.1   141.9  Favored     9   7  0.48  10  0.51  molprobity  
 79   79  mmm       -72.3   134.3  Favored     9   8  0.30  10  0.83  molprobity  
 80   80  ?        -115.2   175.4  Favored     3   4  0.29   5  0.57  molprobity  
 81   81  p-10      -62.1   -30.6  Favored     6   8  0.44  11  0.51  molprobity  
 82   82  m-70      -81.8   -13.4  Favored     7  11  0.20  15  0.26  molprobity  
 83   83  m-20      -79.4   162.3  Favored     4   8  0.20  11  0.39  molprobity  
 84   84  t70      -118.6   121.3  Favored     4   8  0.24  11  0.60  molprobity  
 85   85  mtt180    -54.7   -46.8  Favored    13  11  0.21  14  0.69  molprobity  
 86   86  ?         -66.1   -47.2  Favored     5   5  0.23   7  0.34  molprobity  
 87   87  mm-40     -69.7   -37.4  Favored     6   9  0.52  12  0.51  molprobity  
 88   88  tt        -61.3   -48.9  Favored    11   8  0.31  11  0.58  molprobity  
 89   89  mtt85     -57.9   -44.7  Favored    13  11  0.33  14  0.56  molprobity  
 90   90  OUTLIER   -67.2   -55.7  Favored    13   9  0.40  11  0.52  molprobity  
 91   91  m-85      -96.9    -9.1  Favored     9  12  0.57  16  0.53  molprobity  
 92   92  tp       -115.5   -33.1  Favored    11   8  0.25  11  0.63  molprobity  
 93   93  mp       -108.2   -13.0  Favored    11   8  0.25  11  0.87  molprobity  
 94   94  m-20       56.8    37.7  Favored     4   8  0.31  11  0.64  molprobity  
 95   95  mt-10    -113.8   157.6  Favored     6   9  0.41  12  0.48  molprobity  
 96   96  ?         -59.7   132.9  Favored     5   5  0.44   8  0.51  molprobity  
 97   97  Cg_endo   -58.7   134.0  Favored     7   8  0.19  11  0.42  molprobity  
 98   98  t        -155.1   150.6  Favored     5   6  0.38   8  0.51  molprobity  
 99   99  mmm      -100.8    11.1  Favored     9   8  0.28  10  0.46  molprobity  
100  100  ?         -71.6   149.3  Favored     5   5  0.31   8  0.37  molprobity  
101  101  Cg_exo    -53.2   140.9  Favored     7   8  0.28  11  0.24  molprobity  
102  102  tp        -83.7    83.4  Favored    11   8  0.34  11  0.52  molprobity  
103  103  m-20     -113.4   136.3  Favored     4   8  0.52  11  1.13  molprobity  
104  104  tpp85    -158.3   151.7  Favored    13  11  0.52  14  0.61  molprobity  
105  105  t        -117.1   140.3  Favored     9   7  0.39  10  0.58  molprobity  
106  106  OUTLIER  -142.1   117.7  Favored     5   6  0.95   8  1.01  molprobity  
107  107  mmm       -90.1   125.5  Favored     9   8  0.40  10  1.00  molprobity  
108  108  mm       -105.8    95.8  Favored    11   8  0.37  11  0.68  molprobity  
109  109  m-20       55.5  -115.3  Allowed     4   8  0.20  11  0.55  molprobity  
110  110  ?         -89.6    -6.3  Favored     3   4  0.36   5  0.51  molprobity  
111  111  tp        -89.3   124.7  Favored    11   8  0.38  11  0.35  molprobity  
112  112  ttp180    -93.3   130.3  Favored    13  11  0.35  14  0.53  molprobity  
113  113  mt       -114.2   121.1  Favored    11   8  0.50  11  0.62  molprobity  
114  114  mt       -104.7   124.6  Favored    11   8  0.31  11  0.54  molprobity  
115  115  t         -94.0   127.4  Favored     9   7  0.23  10  0.34  molprobity  
116  116  tp       -120.5   148.1  Favored    11   8  0.35  11  0.64  molprobity  
117  117  t0       -108.9   104.6  Favored     4   8  0.30  11  0.60  molprobity  
118  118  p         -93.1    -6.7  Favored     7   7  0.48  10  0.64  molprobity  
119  119  p         -62.0   151.5  Favored     5   6  0.36   8  0.86  molprobity  
120  120  t        -125.6   109.1  Favored     9   7  0.59  11  0.98  molprobity  
121  121  Cg_exo    -44.6   127.4  Favored     7   8  0.24  11  0.42  molprobity  
122  122  ?          76.7    -0.2  Favored     3   4  0.25   5  0.38  molprobity  
123  123  m80      -128.6   166.2  Favored     7  11  0.15  15  0.19  molprobity  
124  124  m-70     -110.7   -23.5  Favored     7  11  0.19  15  0.40  molprobity  
125  125  p-80      -69.0   165.1  Favored     7  11  0.32  15  0.24  molprobity  
126  126  ?        -107.7   151.7  Favored     3   4  0.36   5  0.72  molprobity  
127  127  mt-10    -161.3   150.8  Favored     6   9  0.34  12  0.43  molprobity  
128  128  mt       -123.7   126.5  Favored    11   8  0.22  11  0.69  molprobity  
129  129  ttp-105   -73.6   151.6  Favored    13  11  0.20  14  0.73  molprobity  
130  130  ?         -51.8   -42.9  Favored     5   5  0.38   7  0.32  molprobity  
131  131  p         -56.8   -37.6  Favored     5   6  0.44   8  0.35  molprobity  
132  132  mt-30     -70.7   -38.4  Favored     8   9  0.47  12  0.54  molprobity  
133  133  mt        -68.6   -41.6  Favored    11   8  0.35  11  0.52  molprobity  
134  134  ?         -58.5   -51.0  Favored     3   4  0.22   5  0.49  molprobity  
135  135  t90       -51.4   -52.5  Favored    10  16  0.51  23  0.31  molprobity  
136  136  tp        -61.4   -48.1  Favored    11   8  0.22  11  0.81  molprobity  
137  137  ?         -54.3   -47.5  Favored     5   5  0.27   7  0.31  molprobity  
138  138  tp10      -59.4   -47.1  Favored     6   9  0.58  12  0.44  molprobity  
139  139  tp10      -60.9   -45.1  Favored     6   9  0.48  12  0.41  molprobity  
140  140  mt        -73.6    -8.8  Favored    11   8  0.37  11  0.49  molprobity  
141  141  ?         -66.8   -26.9  Favored     5   5  0.27   7  0.42  molprobity  
142  142  m        -101.5   123.2  Favored     7   7  0.39  11  0.58  molprobity  
143  143  Cg_endo   -78.1   151.2  Favored     7   8  0.19  11  0.23  molprobity  
144  144  ?         -91.2   150.7  Favored     5   5  0.31   8  0.68  molprobity  
145  145  Cg_exo    -53.8   -39.1  Favored     7   8  0.20  11  0.31  molprobity  
146  146  m-20     -110.9    20.0  Favored     4   8  0.24  11  0.46  molprobity  
147  147  ?          75.6  -165.9  Favored     3   4  0.17   5  0.42  molprobity  
148  148  m        -131.3   133.3  Favored     7   7  0.46  10  0.41  molprobity  
149  149  mm       -100.1   122.5  Favored    11   8  0.26  11  0.87  molprobity  
150  150  tp        -94.4   127.9  Favored    11   8  0.33  11  0.45  molprobity  
151  151  ?        -120.4   124.1  Favored     5   5  0.24   7  0.43  molprobity  
152  152  OUTLIER  -149.6   177.2  Favored    11   8  0.35  11  0.83  molprobity  
153  153  t60       -93.2   -64.6  Allowed     7  11  0.28  15  0.32  molprobity  
154  154  m80       -76.1   115.4  Favored     7  11  0.24  16  0.43  molprobity  
155  155  Cg_endo   -76.0   138.7  Favored     7   8  0.29  12  0.37  molprobity  
156  156  Cg_endo   -77.8    70.7  Favored     7   8  0.33  11  0.46  molprobity  
157  157  mt       -140.9   139.0  Favored    11   8  0.52  12  0.80  molprobity  
158  158  Cg_exo    -52.7   139.6  Favored     7   8  0.23  11  0.34  molprobity  
159  159  m         -80.5   112.3  Favored     5   6  0.34   8  0.36  molprobity  
160  160  m         -83.5    -4.8  Favored     9   7  0.45  10  0.41  molprobity  
161  161  mt       -122.1   142.5  Favored    11   8  0.33  11  0.72  molprobity  
162  162  m-20      -56.7   -49.6  Favored     4   8  0.30  11  0.52  molprobity  
163  163  mtt       -50.3   -34.2  Favored     9   8  0.30  10  0.38  molprobity  
164  164  ?         -78.3   -23.2  Favored     5   5  0.37   7  0.63  molprobity  
165  165  t         -58.8   -43.2  Favored     9   7  0.53  10  0.46  molprobity  
166  166  p         -72.7   -13.4  Favored     7   7  0.33  10  0.59  molprobity  
167  167  m        -120.4    18.0  Favored     9   7  0.38  10  0.36  molprobity  
168  168  pt-20     -77.5   165.8  Favored     6   9  0.52  12  0.57  molprobity  
169  169  tp        -68.8   121.1  Favored    11   8  0.26  11  0.75  molprobity  
170  170  mtt180    -91.3   156.8  Favored    13  11  0.16  14  0.60  molprobity  
171  171  t0         55.6    54.9  Favored     4   8  0.48  11  0.45  molprobity  
172  172  mt-30     -71.2   -29.6  Favored     8   9  0.30  12  0.44  molprobity  
173  173  ?         -51.4   -44.2  Favored     5   5  0.28   7  0.42  molprobity  
174  174  ?         -65.1   -42.1  Favored     5   5  0.30   7  0.52  molprobity  
175  175  tp        -63.3   -40.1  Favored    11   8  0.27  11  0.41  molprobity  
176  176  ?         -57.5   -44.9  Favored     3   4  0.23   5  0.43  molprobity  
177  177  mtt85     -61.5   -32.7  Favored    13  11  0.31  14  0.45  molprobity  
178  178  t         -75.5   -42.7  Favored     9   7  0.38  10  0.29  molprobity  
179  179  mt        -77.1   -26.5  Favored    11   8  0.48  11  0.81  molprobity  
180  180  OUTLIER   -59.3   121.9  Favored    13  11  0.32  14  0.68  molprobity  
181  181  ?          82.2    -0.4  Favored     3   4  0.44   5  0.53  molprobity  
182  182  p         -79.0  -179.7  Favored     7   7  0.50  10  0.61  molprobity  
183  183  p-10      -86.8    16.3  Favored     4   8  0.44  11  0.72  molprobity  
184  184  t         -67.2   114.7  Favored     9   7  0.43  10  0.49  molprobity  
185  185  mtp180    -94.9   -28.0  Favored    13  11  0.27  14  0.61  molprobity  
186  186  ?        -157.3   151.9  Favored     5   5  0.33   7  0.46  molprobity  
187  187  mt       -119.5   120.2  Favored    11   8  0.44  11  0.50  molprobity  
188  188  mt        -98.5   132.0  Favored    11   8  0.45  11  0.84  molprobity  
189  189  ?        -141.9   172.9  Favored     5   5  0.43   7  0.26  molprobity  
190  190  ?        -134.2  -134.2  Favored     3   4  0.26   5  1.01  molprobity  
191  191  t60        81.0   -38.2  Allowed     7  11  0.36  15  0.45  molprobity  
192  192  mt        -80.6   -21.6  Favored    11   8  0.45  11  0.56  molprobity  
193  193  m-70       60.6    31.2  Favored     7  11  0.43  15  0.45  molprobity  
194  194  p90      -163.8   155.4  Favored     9  13  0.46  18  0.56  molprobity  
195  195  m         -75.9   127.2  Favored     5   6  0.27   8  0.43  molprobity  
196  196  m        -145.5   146.2  Favored     7   7  0.59  10  0.74  molprobity  
197  197  p30      -143.0   146.9  Favored     6   8  0.38  11  0.52  molprobity  
198  198  ?        -161.7  -174.6  Favored     5   5  0.63   7  0.81  molprobity  
199  199  p        -116.1   158.2  Favored     7   7  0.51  10  0.70  molprobity  
200  200  t80      -138.4   121.3  Favored     9  12  0.58  16  0.77  molprobity  
201  201  m          40.3    48.5  Allowed     9   7  0.85  10  0.64  molprobity  
202  202  ?          79.2    -9.2  Favored     3   4  0.70   5  0.64  molprobity  
203  203  mt        -92.6   128.2  Favored    11   8  0.32  12  0.65  molprobity  
204  204  Cg_endo   -64.0   133.2  Favored     7   8  0.27  11  0.47  molprobity  
205  205  t        -115.9   130.4  Favored     9   7  0.30  10  0.73  molprobity  
206  206  t        -123.6   122.5  Favored     5   6  0.33   8  0.48  molprobity  
207  207  t        -105.6   122.9  Favored     9   7  0.24  10  0.83  molprobity  
208  208  ?         -84.4   146.1  Favored     5   5  0.24   7  0.51  molprobity  
209  209  p         -71.2  -175.8  Allowed     5   6  0.35   8  0.37  molprobity  
210  210  ?         -87.5   150.1  Favored     5   5  0.25   7  0.61  molprobity  
211  211  m         -81.6   -41.5  Favored     7   7  0.35  10  0.39  molprobity  
212  212  p             ?       ?  ?           5   5  0.42   5  0.43  molprobity  
213  213  ?             ?       ?  ?           2   4  0.21   5  0.30  molprobity  
214  214  p        -153.3  -172.8  Favored     5   6  0.42   8  0.29  molprobity  
215  215  m-20     -117.6   141.1  Favored     6   8  0.31  11  0.51  molprobity  
216  216  OUTLIER   -98.2   133.4  Favored    11   8  0.37  11  1.07  molprobity  
217  217  t        -118.2   113.6  Favored     9   7  0.35  10  0.42  molprobity  
218  218  m80      -102.8   117.0  Favored     7  11  0.33  15  0.32  molprobity  
219  219  t         -93.2   111.8  Favored     9   7  0.49  10  0.52  molprobity  
220  220  m-85     -101.1   167.5  Favored     9  13  0.47  19  0.41  molprobity  
221  221  Cg_exo    -51.3   -38.3  Favored     7   8  0.26  11  0.52  molprobity  
222  222  m-20     -122.1    -0.6  Favored     4   8  0.52  11  0.57  molprobity  
223  223  t        -154.9   161.6  Favored     7   7  0.60  10  0.58  molprobity  
224  224  t        -120.6   119.7  Favored     9   7  0.45  10  0.47  molprobity  
225  225  t         -99.4   129.7  Favored     9   7  0.35  10  0.25  molprobity  
226  226  m-70     -113.5   124.2  Favored     7  11  0.22  15  0.22  molprobity  
227  227  m        -118.0   132.7  Favored     5   6  0.38   8  0.41  molprobity  
228  228  t         -86.2   120.0  Favored     9   7  0.27  10  0.46  molprobity  
229  229  mm       -104.7   102.3  Favored    11   8  0.55  12  0.45  molprobity  
230  230  Cg_endo       ?       ?  ?           7   7  0.24   8  0.26  molprobity  
231  237  ?             ?       ?  ?           ?   0     ?   0     ?  mogul       
#
loop_
_pdbx_vrpt_instance_clashes.ordinal
_pdbx_vrpt_instance_clashes.instance_id
_pdbx_vrpt_instance_clashes.label_atom_id
_pdbx_vrpt_instance_clashes.cid
_pdbx_vrpt_instance_clashes.clashmag
_pdbx_vrpt_instance_clashes.dist
 1    3  HG3    1  0.64  1.63  
 2    3  HG3    2  0.44  2.49  
 3    7  HB2    3  0.54  1.89  
 4    8  HD21   4  0.41  2.02  
 5   32  HD13   4  0.41  2.02  
 6   47  H      5  0.53  1.73  
 7   64  HG12   6  0.41  2.02  
 8   75  HD11   6  0.41  2.02  
 9   80  HA3    5  0.53  1.73  
10  103  OD2    7  0.43  2.18  
11  129  NH1    8  0.58  2.91  
12  132  HG2    7  0.43  2.18  
13  216  HD13   9  0.51  1.75  
14  217  HB     3  0.54  1.89  
15  218  HD2    1  0.64  1.63  
16  218  HE1    9  0.51  1.75  
17  218  CD2    2  0.44  2.49  
18  235  BR     8  0.58  2.91  
19  237  AS    10  0.42  2.97  
20  290  O     10  0.42  2.97  
#
loop_
_pdbx_vrpt_instance_symm_clashes.ordinal
_pdbx_vrpt_instance_symm_clashes.instance_id
_pdbx_vrpt_instance_symm_clashes.label_atom_id
_pdbx_vrpt_instance_symm_clashes.scid
_pdbx_vrpt_instance_symm_clashes.symop
_pdbx_vrpt_instance_symm_clashes.clashmag
_pdbx_vrpt_instance_symm_clashes.dist
1  127  OE2  0  1_555  0.05  2.15  
2  266  O    0  4_555  0.05  2.15  
#
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          2.23.2                                                                Y  
4  dcc          "2.26  (2020-01-20)"                                                  Y  
5  xtriage      1.13                                                                  Y  
6  percentiles  "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
