data_2O60

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  2O60
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    2O60
_pdbx_vrpt_summary.PDB_deposition_date         2006-12-06
_pdbx_vrpt_summary.PDB_revision_number         4
_pdbx_vrpt_summary.PDB_revision_date           2023-12-27
_pdbx_vrpt_summary.report_creation_date        2023-12-16:23:26
_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      Calmodulin  
2  polymer      "Peptide corresponding to calmodulin binding domain of neuronal nitric oxide synthase"  
3  non-polymer  "CALCIUM ION"  
4  water        water  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  2  
C  3  
D  3  
E  3  
F  3  
G  4  
H  4  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all   x-ray  
2  1.55  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  51.28  141614     ?     ?  
2  2  1  28.91    1529  1.56  1.56  
3  1  2  12.81  138981     ?     ?  
4  2  2   2.00    1498  1.56  1.56  
5  1  3  53.07  138945     ?     ?  
6  2  3  23.81    1495  1.56  1.56  
7  1  4  36.52  130704     ?     ?  
8  2  4   7.42    1483  1.56  1.56  
#
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   11.70  
2  4  2  A  1  1  A    1.47  
3  5  3  A  1  1  A   50.02  
4  6  3  A  1  1  A   21.07  
5  3  2  B  1  2  B  100.00  
6  4  2  B  1  2  B  100.00  
7  5  3  B  1  2  B  100.00  
8  6  3  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  0.85  0.75  1237  1654  
2  1  2  B  B  0.65  0.74   168   218  
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  1.21
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       2.14
_pdbx_vrpt_summary_geometry.clashscore                     5.62
_pdbx_vrpt_summary_geometry.num_H_reduce                   1321
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 1405
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.75
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                1872
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.83
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.Babinet_b                 26.554
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            49.761
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         18.462
_pdbx_vrpt_summary_diffraction.I_over_sigma              3.58(1.55A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        23602
_pdbx_vrpt_summary_diffraction.Babinet_k                 0.570
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.393
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.494
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.327
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.914
_pdbx_vrpt_summary_diffraction.DCC_R                     0.21
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.25
_pdbx_vrpt_summary_diffraction.EDS_R                     0.30
_pdbx_vrpt_summary_diffraction.EDS_res_high              1.55
_pdbx_vrpt_summary_diffraction.EDS_res_low               10.43
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[17.642,20.422,17.607,0.000,-1.676,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.152
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 10.00% 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         0
_pdbx_vrpt_summary_diffraction.centric_outliers          1
_pdbx_vrpt_summary_diffraction.data_completeness         99.81
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      1208
_pdbx_vrpt_summary_diffraction.percent_free_reflections  5.12
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       1.55
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        74.54
_pdbx_vrpt_summary_diffraction.PDB_R                     0.20
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.24
#
loop_
_pdbx_vrpt_model_instance.id
_pdbx_vrpt_model_instance.PDB_model_num
_pdbx_vrpt_model_instance.entity_id
_pdbx_vrpt_model_instance.label_asym_id
_pdbx_vrpt_model_instance.label_seq_id
_pdbx_vrpt_model_instance.label_comp_id
_pdbx_vrpt_model_instance.auth_asym_id
_pdbx_vrpt_model_instance.auth_seq_id
_pdbx_vrpt_model_instance.label_alt_id
_pdbx_vrpt_model_instance.PDB_ins_code
_pdbx_vrpt_model_instance.count_clashes
  1  1  1  A    1  ALA  A    1  .  ?        1  
  2  1  1  A    2  ASP  A    2  .  ?        1  
  3  1  1  A    3  GLN  A    3  .  ?        ?  
  4  1  1  A    4  LEU  A    4  .  ?        ?  
  5  1  1  A    5  THR  A    5  .  ?        ?  
  6  1  1  A    6  GLU  A    6  .  ?        ?  
  7  1  1  A    7  GLU  A    7  A  ?        ?  
  8  1  1  A    7  GLU  A    7  B  ?        ?  
  9  1  1  A    8  GLN  A    8  .  ?        ?  
 10  1  1  A    9  ILE  A    9  .  ?        ?  
 11  1  1  A   10  ALA  A   10  .  ?        ?  
 12  1  1  A   11  GLU  A   11  .  ?        ?  
 13  1  1  A   12  PHE  A   12  .  ?        ?  
 14  1  1  A   13  LYS  A   13  A  ?        ?  
 15  1  1  A   13  LYS  A   13  B  ?        2  
 16  1  1  A   14  GLU  A   14  .  ?        ?  
 17  1  1  A   15  ALA  A   15  .  ?        ?  
 18  1  1  A   16  PHE  A   16  .  ?        ?  
 19  1  1  A   17  SER  A   17  .  ?        ?  
 20  1  1  A   18  LEU  A   18  .  ?        ?  
 21  1  1  A   19  PHE  A   19  .  ?        ?  
 22  1  1  A   20  ASP  A   20  .  ?        ?  
 23  1  1  A   21  LYS  A   21  .  ?        ?  
 24  1  1  A   22  ASP  A   22  .  ?        ?  
 25  1  1  A   23  GLY  A   23  .  ?        ?  
 26  1  1  A   24  ASP  A   24  .  ?        ?  
 27  1  1  A   25  GLY  A   25  .  ?        ?  
 28  1  1  A   26  THR  A   26  .  ?        ?  
 29  1  1  A   27  ILE  A   27  .  ?        ?  
 30  1  1  A   28  THR  A   28  .  ?        ?  
 31  1  1  A   29  THR  A   29  .  ?        ?  
 32  1  1  A   30  LYS  A   30  .  ?        ?  
 33  1  1  A   31  GLU  A   31  .  ?        ?  
 34  1  1  A   32  LEU  A   32  .  ?        ?  
 35  1  1  A   33  GLY  A   33  .  ?        ?  
 36  1  1  A   34  THR  A   34  .  ?        ?  
 37  1  1  A   35  VAL  A   35  .  ?        ?  
 38  1  1  A   36  MET  A   36  .  ?        ?  
 39  1  1  A   37  ARG  A   37  .  ?        ?  
 40  1  1  A   38  SER  A   38  .  ?        ?  
 41  1  1  A   39  LEU  A   39  .  ?        ?  
 42  1  1  A   40  GLY  A   40  .  ?        ?  
 43  1  1  A   41  GLN  A   41  .  ?        ?  
 44  1  1  A   42  ASN  A   42  .  ?        ?  
 45  1  1  A   43  PRO  A   43  .  ?        ?  
 46  1  1  A   44  THR  A   44  .  ?        ?  
 47  1  1  A   45  GLU  A   45  .  ?        ?  
 48  1  1  A   46  ALA  A   46  .  ?        ?  
 49  1  1  A   47  GLU  A   47  .  ?        ?  
 50  1  1  A   48  LEU  A   48  .  ?        ?  
 51  1  1  A   49  GLN  A   49  .  ?        ?  
 52  1  1  A   50  ASP  A   50  .  ?        ?  
 53  1  1  A   51  MET  A   51  .  ?        ?  
 54  1  1  A   52  ILE  A   52  .  ?        ?  
 55  1  1  A   53  ASN  A   53  .  ?        ?  
 56  1  1  A   54  GLU  A   54  .  ?        ?  
 57  1  1  A   55  VAL  A   55  .  ?        ?  
 58  1  1  A   56  ASP  A   56  .  ?        ?  
 59  1  1  A   57  ALA  A   57  .  ?        ?  
 60  1  1  A   58  ASP  A   58  .  ?        ?  
 61  1  1  A   59  GLY  A   59  .  ?        ?  
 62  1  1  A   60  ASN  A   60  .  ?        ?  
 63  1  1  A   61  GLY  A   61  .  ?        ?  
 64  1  1  A   62  THR  A   62  .  ?        ?  
 65  1  1  A   63  ILE  A   63  .  ?        ?  
 66  1  1  A   64  ASP  A   64  .  ?        ?  
 67  1  1  A   65  PHE  A   65  .  ?        ?  
 68  1  1  A   66  PRO  A   66  .  ?        1  
 69  1  1  A   67  GLU  A   67  .  ?        ?  
 70  1  1  A   68  PHE  A   68  .  ?        ?  
 71  1  1  A   69  LEU  A   69  .  ?        ?  
 72  1  1  A   70  THR  A   70  A  ?        1  
 73  1  1  A   70  THR  A   70  B  ?        ?  
 74  1  1  A   71  MET  A   71  .  ?        ?  
 75  1  1  A   72  MET  A   72  A  ?        ?  
 76  1  1  A   72  MET  A   72  B  ?        ?  
 77  1  1  A   73  ALA  A   73  .  ?        ?  
 78  1  1  A   74  ARG  A   74  .  ?        ?  
 79  1  1  A   75  LYS  A   75  .  ?        1  
 80  1  1  A   76  MET  A   76  .  ?        ?  
 81  1  1  A   77  LYS  A   77  .  ?        ?  
 82  1  1  A   78  ASP  A   78  .  ?        1  
 83  1  1  A   79  THR  A   79  .  ?        3  
 84  1  1  A   80  ASP  A   80  .  ?        2  
 85  1  1  A   81  SER  A   81  .  ?        1  
 86  1  1  A   82  GLU  A   82  .  ?        1  
 87  1  1  A   83  GLU  A   83  .  ?        ?  
 88  1  1  A   84  GLU  A   84  .  ?        ?  
 89  1  1  A   85  ILE  A   85  .  ?        2  
 90  1  1  A   86  ARG  A   86  .  ?        ?  
 91  1  1  A   87  GLU  A   87  .  ?        ?  
 92  1  1  A   88  ALA  A   88  .  ?        ?  
 93  1  1  A   89  PHE  A   89  .  ?        ?  
 94  1  1  A   90  ARG  A   90  .  ?        ?  
 95  1  1  A   91  VAL  A   91  .  ?        ?  
 96  1  1  A   92  PHE  A   92  .  ?        ?  
 97  1  1  A   93  ASP  A   93  .  ?        ?  
 98  1  1  A   94  LYS  A   94  .  ?        ?  
 99  1  1  A   95  ASP  A   95  .  ?        ?  
100  1  1  A   96  GLY  A   96  .  ?        ?  
101  1  1  A   97  ASN  A   97  .  ?        ?  
102  1  1  A   98  GLY  A   98  .  ?        ?  
103  1  1  A   99  TYR  A   99  .  ?        ?  
104  1  1  A  100  ILE  A  100  .  ?        ?  
105  1  1  A  101  SER  A  101  .  ?        ?  
106  1  1  A  102  ALA  A  102  .  ?        ?  
107  1  1  A  103  ALA  A  103  .  ?        ?  
108  1  1  A  104  GLU  A  104  .  ?        ?  
109  1  1  A  105  LEU  A  105  .  ?        ?  
110  1  1  A  106  ARG  A  106  .  ?        ?  
111  1  1  A  107  HIS  A  107  .  ?        ?  
112  1  1  A  108  VAL  A  108  .  ?        ?  
113  1  1  A  109  MET  A  109  .  ?        ?  
114  1  1  A  110  THR  A  110  .  ?        ?  
115  1  1  A  111  ASN  A  111  .  ?        ?  
116  1  1  A  112  LEU  A  112  .  ?        ?  
117  1  1  A  113  GLY  A  113  .  ?        ?  
118  1  1  A  114  GLU  A  114  .  ?        ?  
119  1  1  A  115  LYS  A  115  .  ?        ?  
120  1  1  A  116  LEU  A  116  .  ?        ?  
121  1  1  A  117  THR  A  117  .  ?        ?  
122  1  1  A  118  ASP  A  118  .  ?        ?  
123  1  1  A  119  GLU  A  119  .  ?        ?  
124  1  1  A  120  GLU  A  120  .  ?        ?  
125  1  1  A  121  VAL  A  121  .  ?        ?  
126  1  1  A  122  ASP  A  122  .  ?        ?  
127  1  1  A  123  GLU  A  123  .  ?        ?  
128  1  1  A  124  MET  A  124  .  ?        ?  
129  1  1  A  125  ILE  A  125  A  ?        ?  
130  1  1  A  125  ILE  A  125  B  ?        ?  
131  1  1  A  126  ARG  A  126  .  ?        ?  
132  1  1  A  127  GLU  A  127  .  ?        ?  
133  1  1  A  128  ALA  A  128  .  ?        ?  
134  1  1  A  129  ASP  A  129  .  ?        ?  
135  1  1  A  130  ILE  A  130  .  ?        ?  
136  1  1  A  131  ASP  A  131  .  ?        ?  
137  1  1  A  132  GLY  A  132  .  ?        ?  
138  1  1  A  133  ASP  A  133  .  ?        ?  
139  1  1  A  134  GLY  A  134  .  ?        ?  
140  1  1  A  135  GLN  A  135  .  ?        ?  
141  1  1  A  136  VAL  A  136  .  ?        ?  
142  1  1  A  137  ASN  A  137  .  ?        ?  
143  1  1  A  138  TYR  A  138  .  ?        ?  
144  1  1  A  139  GLU  A  139  A  ?        ?  
145  1  1  A  139  GLU  A  139  B  ?        ?  
146  1  1  A  140  GLU  A  140  .  ?        ?  
147  1  1  A  141  PHE  A  141  .  ?        2  
148  1  1  A  142  VAL  A  142  .  ?        ?  
149  1  1  A  143  GLN  A  143  .  ?        ?  
150  1  1  A  144  MET  A  144  .  ?        ?  
151  1  1  A  145  MET  A  145  .  ?        ?  
152  1  1  A  146  THR  A  146  .  ?        ?  
153  1  1  A  147  ALA  A  147  .  ?        ?  
154  1  1  A  148  LYS  A  148  A  ?        ?  
155  1  1  A  148  LYS  A  148  B  ?        ?  
156  1  2  B    4  ALA  B    4  .  ?        ?  
157  1  2  B    5  ILE  B    5  .  ?        ?  
158  1  2  B    6  GLY  B    6  .  ?        ?  
159  1  2  B    7  PHE  B    7  .  ?        ?  
160  1  2  B    8  LYS  B    8  .  ?        ?  
161  1  2  B    9  LYS  B    9  .  ?        ?  
162  1  2  B   10  LEU  B   10  .  ?        ?  
163  1  2  B   11  ALA  B   11  .  ?        ?  
164  1  2  B   12  GLU  B   12  .  ?        ?  
165  1  2  B   13  ALA  B   13  .  ?        ?  
166  1  2  B   14  VAL  B   14  .  ?        ?  
167  1  2  B   15  LYS  B   15  A  ?        ?  
168  1  2  B   15  LYS  B   15  B  ?        6  
169  1  2  B   16  PHE  B   16  .  ?        ?  
170  1  2  B   17  SER  B   17  .  ?        ?  
171  1  2  B   18  ALA  B   18  .  ?        ?  
172  1  2  B   19  LYS  B   19  A  ?        ?  
173  1  2  B   19  LYS  B   19  B  ?        ?  
174  1  2  B   20  LEU  B   20  .  ?        ?  
175  1  2  B   21  MET  B   21  .  ?        ?  
176  1  2  B   22  GLY  B   22  .  ?        ?  
177  1  2  B   23  GLN  B   23  .  ?        ?  
178  1  2  B   24  NH2  B   24  .  ?        ?  
179  1  3  C    .  CA   A  401  .  ?        ?  
180  1  3  D    .  CA   A  402  .  ?        ?  
181  1  3  E    .  CA   A  403  .  ?        ?  
182  1  3  F    .  CA   A  404  .  ?        ?  
183  1  4  G    .  HOH  A  405  .  ?        ?  
184  1  4  G    .  HOH  A  406  .  ?        ?  
185  1  4  G    .  HOH  A  407  .  ?        ?  
186  1  4  G    .  HOH  A  408  .  ?        ?  
187  1  4  G    .  HOH  A  409  .  ?        ?  
188  1  4  G    .  HOH  A  410  .  ?        ?  
189  1  4  G    .  HOH  A  411  .  ?        ?  
190  1  4  G    .  HOH  A  412  .  ?        ?  
191  1  4  G    .  HOH  A  413  .  ?        ?  
192  1  4  G    .  HOH  A  414  .  ?        ?  
193  1  4  G    .  HOH  A  415  .  ?        ?  
194  1  4  G    .  HOH  A  416  .  ?        ?  
195  1  4  G    .  HOH  A  417  .  ?        ?  
196  1  4  G    .  HOH  A  418  .  ?        ?  
197  1  4  G    .  HOH  A  419  .  ?        ?  
198  1  4  G    .  HOH  A  420  .  ?        ?  
199  1  4  G    .  HOH  A  421  .  ?        ?  
200  1  4  G    .  HOH  A  422  .  ?        ?  
201  1  4  G    .  HOH  A  423  .  ?        ?  
202  1  4  G    .  HOH  A  424  .  ?        ?  
203  1  4  G    .  HOH  A  425  .  ?        ?  
204  1  4  G    .  HOH  A  426  .  ?        ?  
205  1  4  G    .  HOH  A  427  .  ?        ?  
206  1  4  G    .  HOH  A  428  .  ?        ?  
207  1  4  G    .  HOH  A  429  .  ?        ?  
208  1  4  G    .  HOH  A  430  .  ?        ?  
209  1  4  G    .  HOH  A  431  .  ?        ?  
210  1  4  G    .  HOH  A  432  .  ?        ?  
211  1  4  G    .  HOH  A  433  .  ?        ?  
212  1  4  G    .  HOH  A  434  .  ?        ?  
213  1  4  G    .  HOH  A  435  .  ?        ?  
214  1  4  G    .  HOH  A  436  .  ?        ?  
215  1  4  G    .  HOH  A  437  .  ?        ?  
216  1  4  G    .  HOH  A  438  .  ?        ?  
217  1  4  G    .  HOH  A  439  .  ?        ?  
218  1  4  G    .  HOH  A  440  .  ?        ?  
219  1  4  G    .  HOH  A  441  .  ?        ?  
220  1  4  G    .  HOH  A  442  .  ?        ?  
221  1  4  G    .  HOH  A  443  .  ?        ?  
222  1  4  G    .  HOH  A  444  .  ?        ?  
223  1  4  G    .  HOH  A  445  .  ?        ?  
224  1  4  G    .  HOH  A  446  .  ?        ?  
225  1  4  G    .  HOH  A  447  .  ?        ?  
226  1  4  G    .  HOH  A  448  .  ?        ?  
227  1  4  G    .  HOH  A  449  .  ?        ?  
228  1  4  G    .  HOH  A  450  .  ?        ?  
229  1  4  G    .  HOH  A  451  .  ?        ?  
230  1  4  G    .  HOH  A  452  .  ?        ?  
231  1  4  G    .  HOH  A  453  .  ?        ?  
232  1  4  G    .  HOH  A  454  .  ?        ?  
233  1  4  G    .  HOH  A  455  .  ?        ?  
234  1  4  G    .  HOH  A  456  .  ?        ?  
235  1  4  G    .  HOH  A  457  .  ?        1  
236  1  4  G    .  HOH  A  458  .  ?        ?  
237  1  4  G    .  HOH  A  459  .  ?        ?  
238  1  4  G    .  HOH  A  460  .  ?        ?  
239  1  4  G    .  HOH  A  461  .  ?        1  
240  1  4  G    .  HOH  A  462  .  ?        ?  
241  1  4  G    .  HOH  A  463  .  ?        ?  
242  1  4  G    .  HOH  A  464  .  ?        ?  
243  1  4  G    .  HOH  A  465  .  ?        ?  
244  1  4  G    .  HOH  A  466  .  ?        ?  
245  1  4  G    .  HOH  A  467  .  ?        ?  
246  1  4  G    .  HOH  A  468  .  ?        ?  
247  1  4  G    .  HOH  A  469  .  ?        ?  
248  1  4  G    .  HOH  A  470  .  ?        ?  
249  1  4  G    .  HOH  A  471  .  ?        ?  
250  1  4  G    .  HOH  A  472  .  ?        ?  
251  1  4  G    .  HOH  A  473  .  ?        ?  
252  1  4  G    .  HOH  A  474  .  ?        ?  
253  1  4  G    .  HOH  A  475  .  ?        ?  
254  1  4  G    .  HOH  A  476  .  ?        ?  
255  1  4  G    .  HOH  A  477  .  ?        ?  
256  1  4  G    .  HOH  A  478  .  ?        ?  
257  1  4  G    .  HOH  A  479  .  ?        ?  
258  1  4  G    .  HOH  A  480  .  ?        ?  
259  1  4  G    .  HOH  A  481  .  ?        ?  
260  1  4  G    .  HOH  A  482  .  ?        ?  
261  1  4  G    .  HOH  A  483  .  ?        ?  
262  1  4  G    .  HOH  A  484  .  ?        ?  
263  1  4  G    .  HOH  A  485  .  ?        ?  
264  1  4  G    .  HOH  A  486  .  ?        ?  
265  1  4  G    .  HOH  A  487  .  ?        ?  
266  1  4  G    .  HOH  A  488  .  ?        ?  
267  1  4  G    .  HOH  A  489  .  ?        ?  
268  1  4  G    .  HOH  A  490  .  ?        ?  
269  1  4  G    .  HOH  A  491  .  ?        ?  
270  1  4  G    .  HOH  A  492  .  ?        ?  
271  1  4  G    .  HOH  A  493  .  ?        ?  
272  1  4  G    .  HOH  A  494  .  ?        ?  
273  1  4  G    .  HOH  A  495  .  ?        ?  
274  1  4  G    .  HOH  A  496  .  ?        ?  
275  1  4  G    .  HOH  A  497  .  ?        ?  
276  1  4  G    .  HOH  A  498  .  ?        ?  
277  1  4  G    .  HOH  A  499  .  ?        ?  
278  1  4  G    .  HOH  A  500  .  ?        ?  
279  1  4  G    .  HOH  A  501  .  ?        ?  
280  1  4  G    .  HOH  A  502  .  ?        ?  
281  1  4  G    .  HOH  A  503  .  ?        ?  
282  1  4  G    .  HOH  A  504  .  ?        ?  
283  1  4  G    .  HOH  A  505  .  ?        ?  
284  1  4  G    .  HOH  A  506  .  ?        ?  
285  1  4  G    .  HOH  A  507  .  ?        ?  
286  1  4  G    .  HOH  A  508  .  ?        ?  
287  1  4  G    .  HOH  A  509  .  ?        ?  
288  1  4  G    .  HOH  A  510  .  ?        ?  
289  1  4  G    .  HOH  A  511  .  ?        ?  
290  1  4  G    .  HOH  A  512  .  ?        ?  
291  1  4  G    .  HOH  A  513  .  ?        ?  
292  1  4  G    .  HOH  A  514  .  ?        ?  
293  1  4  G    .  HOH  A  515  .  ?        ?  
294  1  4  G    .  HOH  A  516  .  ?        ?  
295  1  4  G    .  HOH  A  517  .  ?        ?  
296  1  4  G    .  HOH  A  518  .  ?        ?  
297  1  4  G    .  HOH  A  519  .  ?        ?  
298  1  4  G    .  HOH  A  520  .  ?        ?  
299  1  4  G    .  HOH  A  521  .  ?        ?  
300  1  4  G    .  HOH  A  522  .  ?        ?  
301  1  4  G    .  HOH  A  523  .  ?        ?  
302  1  4  G    .  HOH  A  524  .  ?        ?  
303  1  4  G    .  HOH  A  525  .  ?        ?  
304  1  4  G    .  HOH  A  526  .  ?        ?  
305  1  4  G    .  HOH  A  527  .  ?        ?  
306  1  4  G    .  HOH  A  528  .  ?        ?  
307  1  4  G    .  HOH  A  529  .  ?        ?  
308  1  4  G    .  HOH  A  530  .  ?        ?  
309  1  4  G    .  HOH  A  531  .  ?        ?  
310  1  4  G    .  HOH  A  532  .  ?        ?  
311  1  4  G    .  HOH  A  533  .  ?        ?  
312  1  4  G    .  HOH  A  534  .  ?        ?  
313  1  4  G    .  HOH  A  535  .  ?        ?  
314  1  4  G    .  HOH  A  536  .  ?        ?  
315  1  4  G    .  HOH  A  537  .  ?        ?  
316  1  4  G    .  HOH  A  538  .  ?        ?  
317  1  4  G    .  HOH  A  539  .  ?        ?  
318  1  4  G    .  HOH  A  540  .  ?        ?  
319  1  4  G    .  HOH  A  541  .  ?        ?  
320  1  4  G    .  HOH  A  542  .  ?        ?  
321  1  4  G    .  HOH  A  543  .  ?        ?  
322  1  4  G    .  HOH  A  544  .  ?        ?  
323  1  4  G    .  HOH  A  545  .  ?        ?  
324  1  4  G    .  HOH  A  546  .  ?        ?  
325  1  4  G    .  HOH  A  547  .  ?        ?  
326  1  4  G    .  HOH  A  548  .  ?        ?  
327  1  4  G    .  HOH  A  549  .  ?        ?  
328  1  4  G    .  HOH  A  550  .  ?        ?  
329  1  4  G    .  HOH  A  551  .  ?        ?  
330  1  4  G    .  HOH  A  552  .  ?        ?  
331  1  4  G    .  HOH  A  553  .  ?        ?  
332  1  4  G    .  HOH  A  554  .  ?        ?  
333  1  4  G    .  HOH  A  555  .  ?        ?  
334  1  4  G    .  HOH  A  556  .  ?        ?  
335  1  4  G    .  HOH  A  557  .  ?        ?  
336  1  4  G    .  HOH  A  558  .  ?        ?  
337  1  4  G    .  HOH  A  559  .  ?        ?  
338  1  4  H    .  HOH  B   25  .  ?        ?  
339  1  4  H    .  HOH  B   26  .  ?        ?  
340  1  4  H    .  HOH  B   27  .  ?        ?  
341  1  4  H    .  HOH  B   28  .  ?        ?  
342  1  4  H    .  HOH  B   29  .  ?        ?  
343  1  4  H    .  HOH  B   30  .  ?        ?  
344  1  4  H    .  HOH  B   31  .  ?        ?  
345  1  4  H    .  HOH  B   32  .  ?        ?  
346  1  4  H    .  HOH  B   33  .  ?        ?  
347  1  4  H    .  HOH  B   34  .  ?        ?  
#
loop_
_pdbx_vrpt_model_instance_geometry.ordinal
_pdbx_vrpt_model_instance_geometry.instance_id
_pdbx_vrpt_model_instance_geometry.rotamer_class
_pdbx_vrpt_model_instance_geometry.phi
_pdbx_vrpt_model_instance_geometry.psi
_pdbx_vrpt_model_instance_geometry.ramachandran_class
_pdbx_vrpt_model_instance_geometry.flippable_sidechain
_pdbx_vrpt_model_instance_geometry.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  ?             ?       ?  ?           ?   7   5  0.80   7  0.52  molprobity  
  2    2  m-20      -24.8   -58.8  Allowed     ?   4   8  0.40  11  0.92  molprobity  
  3    3  mm-40    -110.7   155.4  Favored     ?   8   9  0.47  12  0.47  molprobity  
  4    4  mt        -81.2   161.7  Favored     ?  11   8  0.63  11  0.73  molprobity  
  5    5  p         -80.3   159.3  Favored     ?   7   7  0.54  10  0.76  molprobity  
  6    6  mt-10     -63.4   -33.4  Favored     ?   6   9  1.79  12  2.07  molprobity  
  7    7  tp10      -63.9   -41.0  Favored     ?   4   9  1.48  12  1.33  molprobity  
  8    8  tp10      -63.9   -41.0  Favored     ?   4   9  1.48  12  1.33  molprobity  
  9    9  mt-30     -62.3   -48.3  Favored     ?   8   9  0.93  12  0.87  molprobity  
 10   10  mt        -61.4   -42.5  Favored     ?  11   8  0.82  11  0.66  molprobity  
 11   11  ?         -59.8   -42.2  Favored     ?   5   5  0.57   7  0.35  molprobity  
 12   12  mt-10     -59.9   -45.3  Favored     ?   6   9  1.10  12  0.74  molprobity  
 13   13  m-85      -63.7   -41.5  Favored     ?   9  12  0.84  16  0.86  molprobity  
 14   14  mtpt      -59.0   -42.0  Favored     ?   9   9  1.02  11  1.11  molprobity  
 15   15  mtpt      -59.0   -42.0  Favored     ?   9   9  1.02  11  1.11  molprobity  
 16   16  mt-10     -54.1   -51.4  Favored     ?   6   9  1.48  12  1.23  molprobity  
 17   17  ?         -61.9   -47.5  Favored     ?   5   5  0.80   7  0.75  molprobity  
 18   18  t80       -66.7   -43.7  Favored     ?   9  12  0.93  16  0.76  molprobity  
 19   19  m         -62.3   -31.3  Favored     ?   5   6  0.72   8  0.66  molprobity  
 20   20  tp        -57.0   -39.4  Favored     ?  11   8  0.64  11  0.51  molprobity  
 21   21  m-85      -87.7   -36.0  Favored     ?   9  12  0.79  16  0.77  molprobity  
 22   22  t0        -80.9    70.9  Favored     ?   4   8  0.57  11  1.18  molprobity  
 23   23  mtpp      -53.2   -37.4  Favored     ?  13   9  0.50  11  0.79  molprobity  
 24   24  p30       -91.5     1.6  Favored     ?   4   8  0.51  11  1.14  molprobity  
 25   25  ?          69.3    18.4  Favored     ?   3   4  0.82   5  0.91  molprobity  
 26   26  p-10      -85.6    -1.3  Favored     ?   4   8  0.54  11  1.02  molprobity  
 27   27  ?          96.9    -3.0  Favored     ?   3   4  0.31   5  0.51  molprobity  
 28   28  p        -134.6   143.4  Favored     ?   7   7  0.95  10  0.66  molprobity  
 29   29  mt       -100.7   122.9  Favored     ?  11   8  0.93  11  0.72  molprobity  
 30   30  p         -96.7   171.9  Favored     ?   7   7  0.59  10  0.68  molprobity  
 31   31  p         -62.3   -34.1  Favored     ?   7   7  0.82  10  0.40  molprobity  
 32   32  ttpt      -60.3   -51.3  Favored     ?  13   9  0.59  11  0.70  molprobity  
 33   33  mt-10     -65.2   -44.8  Favored     ?   6   9  0.87  12  0.56  molprobity  
 34   34  tp        -57.7   -47.5  Favored     ?  11   8  0.74  11  1.04  molprobity  
 35   35  ?         -62.6   -45.1  Favored     ?   3   4  0.74   5  0.18  molprobity  
 36   36  m         -59.7   -46.7  Favored     ?   7   7  0.97  10  0.77  molprobity  
 37   37  t         -66.9   -46.2  Favored     ?   9   7  0.96  10  0.83  molprobity  
 38   38  mtp       -55.6   -39.2  Favored     ?   9   8  0.52  10  0.75  molprobity  
 39   39  mtm-85    -63.1   -41.7  Favored     ?  13  11  0.50  14  1.67  molprobity  
 40   40  m         -59.9   -30.4  Favored     ?   5   6  0.24   8  0.28  molprobity  
 41   41  mt       -104.4    18.3  Favored     ?  11   8  0.40  11  0.81  molprobity  
 42   42  ?         100.6    10.1  Favored     ?   3   4  0.61   5  1.03  molprobity  
 43   43  mm-40    -113.8   167.7  Favored     1   8   9  0.50  12  0.36  molprobity  
 44   44  t30      -140.7    62.7  Favored     ?   6   8  0.48  12  0.62  molprobity  
 45   45  Cg_endo   -70.0   148.2  Favored     ?   7   8  0.53  11  0.57  molprobity  
 46   46  p         -80.1   163.2  Favored     ?   7   7  0.31  10  0.58  molprobity  
 47   47  tp10      -53.4   -42.7  Favored     ?   6   9  0.84  12  0.45  molprobity  
 48   48  ?         -64.4   -41.6  Favored     ?   5   5  0.30   7  1.09  molprobity  
 49   49  mt-10     -61.2   -40.6  Favored     ?   6   9  1.13  12  0.78  molprobity  
 50   50  mt        -64.6   -46.1  Favored     ?  11   8  0.56  11  0.97  molprobity  
 51   51  tp60      -61.6   -38.2  Favored     ?   8   9  1.03  12  0.70  molprobity  
 52   52  m-20      -58.9   -38.6  Favored     ?   4   8  0.71  11  0.63  molprobity  
 53   53  mtt       -62.9   -44.0  Favored     ?   9   8  0.52  10  0.62  molprobity  
 54   54  mt        -65.9   -46.3  Favored     ?  11   8  0.62  11  1.12  molprobity  
 55   55  m-20      -57.1   -37.5  Favored     ?   6   8  0.76  11  0.64  molprobity  
 56   56  mt-10     -59.3   -34.3  Favored     ?   6   9  1.32  12  0.64  molprobity  
 57   57  m        -115.0     4.3  Favored     ?   9   7  0.60  10  0.96  molprobity  
 58   58  t0        -84.9    74.1  Favored     ?   4   8  0.64  11  1.38  molprobity  
 59   59  ?         -61.6   -30.7  Favored     ?   5   5  0.97   7  0.76  molprobity  
 60   60  p-10      -95.2     3.1  Favored     ?   4   8  0.72  11  0.77  molprobity  
 61   61  ?          67.9    12.1  Favored     ?   3   4  0.38   5  0.71  molprobity  
 62   62  p-10      -83.5     1.1  Favored     ?   6   8  0.91  11  0.81  molprobity  
 63   63  ?          85.7     1.4  Favored     ?   3   4  1.00   5  1.05  molprobity  
 64   64  p        -135.6   168.1  Favored     ?   7   7  0.85  10  0.55  molprobity  
 65   65  mt       -105.4   119.1  Favored     ?  11   8  0.44  11  1.18  molprobity  
 66   66  p30       -95.9  -175.7  Favored     ?   4   8  1.13  11  0.98  molprobity  
 67   67  t80       -60.5   -53.0  Favored     ?   9  12  1.63  17  1.13  molprobity  
 68   68  Cg_endo   -64.6   -30.8  Favored     ?   7   8  0.89  11  0.55  molprobity  
 69   69  mt-10     -65.2   -38.6  Favored     ?   6   9  0.72  12  0.83  molprobity  
 70   70  t80       -66.7   -39.5  Favored     ?   9  12  1.20  16  0.76  molprobity  
 71   71  mt        -57.8   -39.4  Favored     ?  11   8  0.63  11  1.01  molprobity  
 72   72  p         -67.4   -36.6  Favored     ?   5   7  0.98  10  1.05  molprobity  
 73   73  p         -67.4   -36.6  Favored     ?   5   7  0.98  10  1.05  molprobity  
 74   74  ttt       -61.1   -42.5  Favored     ?   9   8  0.47  10  1.10  molprobity  
 75   75  mtm       -67.0   -46.5  Favored     ?   7   8  0.98  10  1.46  molprobity  
 76   76  mtm       -67.0   -46.5  Favored     ?   7   8  0.98  10  1.46  molprobity  
 77   77  ?         -51.6   -38.9  Favored     ?   5   5  1.02   7  0.79  molprobity  
 78   78  mtt180    -81.7   -29.7  Favored     ?  13  11  1.92  14  1.65  molprobity  
 79   79  mmtt      -94.8   -37.1  Favored     ?  13   9  0.62  11  0.88  molprobity  
 80   80  mmm       -86.1   -99.2  Allowed     ?   9   8  0.49  10  0.52  molprobity  
 81   81  tptm       51.6  -130.3  Favored     ?  13   9  0.55  11  1.03  molprobity  
 82   82  OUTLIER  -149.2  -125.8  OUTLIER     ?   4   8  0.25  11  1.23  molprobity  
 83   83  t          57.0  -163.0  Allowed     ?   7   7  0.60  10  0.69  molprobity  
 84   84  m-20       37.6    96.4  OUTLIER     ?   4   8  0.65  11  0.92  molprobity  
 85   85  p          80.0   -73.3  Allowed     ?   5   6  0.50   8  0.60  molprobity  
 86   86  tt0        55.0  -159.2  Allowed     ?   6   9  0.33  12  0.58  molprobity  
 87   87  OUTLIER    46.7    40.0  Favored     ?   6   9  0.41  12  0.81  molprobity  
 88   88  OUTLIER  -134.0    33.5  Favored     ?   6   9  0.63  12  0.94  molprobity  
 89   89  mt        -57.1   -24.9  Favored     ?  11   8  0.30  11  0.58  molprobity  
 90   90  tpt85     -56.0   -37.2  Favored     ?  13  11  0.53  14  0.88  molprobity  
 91   91  mt-10     -71.3   -41.0  Favored     ?   6   9  0.69  12  0.96  molprobity  
 92   92  ?         -62.1   -48.0  Favored     ?   5   5  0.91   7  0.82  molprobity  
 93   93  t80       -58.3   -42.0  Favored     ?   9  12  0.75  16  0.64  molprobity  
 94   94  tpp85     -62.0   -30.0  Favored     ?  13  11  0.58  14  1.09  molprobity  
 95   95  t         -59.4   -33.7  Favored     ?   9   7  0.49  10  0.32  molprobity  
 96   96  m-85      -84.3   -47.5  Favored     ?   9  12  0.84  16  0.53  molprobity  
 97   97  t0        -84.1    72.0  Favored     ?   4   8  0.44  11  1.13  molprobity  
 98   98  mmtt      -63.6   -33.0  Favored     ?  13   9  0.50  11  0.37  molprobity  
 99   99  p-10      -92.3     3.5  Favored     ?   4   8  0.59  11  0.87  molprobity  
100  100  ?          69.7    13.3  Favored     ?   3   4  0.46   5  0.68  molprobity  
101  101  p-10      -80.4    -0.9  Favored     ?   6   8  0.51  11  0.92  molprobity  
102  102  ?          95.5     0.3  Favored     ?   3   4  0.32   5  0.19  molprobity  
103  103  m-85     -137.5   128.8  Favored     ?   9  13  0.80  18  0.55  molprobity  
104  104  mt        -83.8   115.9  Favored     ?  11   8  0.55  11  0.81  molprobity  
105  105  p         -86.9   162.7  Favored     ?   5   6  0.91   8  0.57  molprobity  
106  106  ?         -54.8   -41.1  Favored     ?   5   5  0.67   7  0.86  molprobity  
107  107  ?         -65.6   -36.8  Favored     ?   5   5  0.55   7  0.58  molprobity  
108  108  mt-10     -64.3   -43.7  Favored     ?   6   9  0.48  12  0.65  molprobity  
109  109  tp        -68.7   -40.6  Favored     ?  11   8  0.55  11  0.77  molprobity  
110  110  ttm105    -58.9   -34.4  Favored     ?  13  11  0.26  14  1.19  molprobity  
111  111  t-80      -61.0   -45.7  Favored     ?   7  11  0.45  15  0.43  molprobity  
112  112  t         -62.2   -45.7  Favored     ?   9   7  0.81  10  0.62  molprobity  
113  113  mmm       -62.9   -37.8  Favored     ?   9   8  0.36  10  0.48  molprobity  
114  114  m         -65.4   -39.2  Favored     ?   7   7  0.43  10  0.55  molprobity  
115  115  m-20      -60.8   -37.9  Favored     ?   6   8  0.44  11  0.30  molprobity  
116  116  mt        -74.7    -8.3  Favored     ?  11   8  0.65  11  0.80  molprobity  
117  117  ?          95.6     5.4  Favored     ?   3   4  0.59   5  0.21  molprobity  
118  118  mm-40     -93.2   145.6  Favored     ?   6   9  0.29  12  0.45  molprobity  
119  119  pttt     -119.9   112.8  Favored     ?  13   9  0.20  11  0.66  molprobity  
120  120  mp       -107.5   150.7  Favored     ?  11   8  0.29  11  0.61  molprobity  
121  121  p         -79.9   164.2  Favored     ?   7   7  0.42  10  0.76  molprobity  
122  122  m-20      -56.5   -38.3  Favored     ?   4   8  0.33  11  0.50  molprobity  
123  123  tp10      -63.6   -44.4  Favored     ?   6   9  0.38  12  0.35  molprobity  
124  124  mt-10     -63.5   -40.1  Favored     ?   6   9  0.57  12  0.41  molprobity  
125  125  t         -64.6   -46.9  Favored     ?   9   7  0.51  10  0.57  molprobity  
126  126  m-20      -58.2   -37.7  Favored     ?   4   8  0.65  11  0.62  molprobity  
127  127  tt0       -58.7   -43.1  Favored     ?   6   9  0.34  12  0.40  molprobity  
128  128  mtp       -61.4   -43.8  Favored     ?   9   8  0.36  10  0.39  molprobity  
129  129  mm        -66.1   -31.8  Favored     ?   6   8  0.33  11  0.34  molprobity  
130  130  mm        -66.1   -31.8  Favored     ?   6   8  0.33  11  0.34  molprobity  
131  131  mtm-85    -64.9   -15.7  Favored     ?  13  11  0.43  14  0.84  molprobity  
132  132  mt-10     -67.7   -29.2  Favored     ?   6   9  0.25  12  0.57  molprobity  
133  133  ?        -117.6   -15.9  Favored     ?   5   5  0.49   7  0.60  molprobity  
134  134  t0        -82.5    85.3  Favored     ?   4   8  0.56  11  0.76  molprobity  
135  135  mm        -66.0   -46.3  Favored     ?  11   8  0.34  11  0.43  molprobity  
136  136  p-10      -87.9     4.1  Favored     ?   4   8  0.51  11  1.41  molprobity  
137  137  ?          72.5    21.7  Favored     ?   3   4  0.44   5  0.70  molprobity  
138  138  p-10      -90.2     5.8  Favored     ?   4   8  0.38  11  1.01  molprobity  
139  139  ?          75.0    14.7  Favored     ?   3   4  0.14   5  0.55  molprobity  
140  140  mt-30    -137.4   161.4  Favored     ?   8   9  0.45  12  0.81  molprobity  
141  141  t        -111.0   113.0  Favored     ?   9   7  0.51  10  0.62  molprobity  
142  142  p30       -85.8   171.1  Favored     ?   6   8  1.43  11  1.18  molprobity  
143  143  t80       -60.1   -46.3  Favored     ?   9  13  0.47  18  0.56  molprobity  
144  144  tp10      -56.9   -44.8  Favored     ?   4   9  0.48  12  0.58  molprobity  
145  145  tp10      -56.9   -44.8  Favored     ?   4   9  0.48  12  0.58  molprobity  
146  146  mt-10     -63.6   -40.5  Favored     ?   6   9  1.01  12  0.71  molprobity  
147  147  t80       -62.7   -40.2  Favored     ?   9  12  0.42  16  0.41  molprobity  
148  148  t         -67.9   -44.6  Favored     ?   9   7  0.48  10  0.35  molprobity  
149  149  mm-40     -59.1   -44.9  Favored     ?   8   9  0.36  12  0.60  molprobity  
150  150  ttp       -59.6   -28.8  Favored     ?   9   8  0.61  10  0.56  molprobity  
151  151  mmt       -72.1   -31.6  Favored     ?   9   8  0.41  10  0.94  molprobity  
152  152  p         -97.1    -9.2  Favored     ?   7   7  0.77  10  1.05  molprobity  
153  153  ?         -78.2   170.6  Favored     ?   5   5  0.46   7  1.00  molprobity  
154  154  ptpt          ?       ?  ?           ?   7   9  0.60   8  1.54  molprobity  
155  155  ptpt          ?       ?  ?           ?   7   9  0.60   8  1.54  molprobity  
156  156  ?             ?       ?  ?           ?   4   5  0.92   7  0.26  molprobity  
157  157  tt        -71.2   139.2  Favored     ?  11   8  0.29  11  0.69  molprobity  
158  158  ?         -84.0   165.6  Favored     ?   3   4  0.52   5  0.70  molprobity  
159  159  t80       -65.2   -46.2  Favored     ?   9  12  0.75  16  0.35  molprobity  
160  160  tttp      -55.4   -49.8  Favored     ?  13   9  0.53  11  0.42  molprobity  
161  161  mmtm      -65.4   -36.4  Favored     ?  13   9  0.67  11  0.77  molprobity  
162  162  tp        -62.7   -48.8  Favored     ?  11   8  0.77  11  0.95  molprobity  
163  163  ?         -59.2   -36.9  Favored     ?   5   5  0.47   7  0.48  molprobity  
164  164  mt-10     -60.2   -39.8  Favored     ?   6   9  0.53  12  0.47  molprobity  
165  165  ?         -67.7   -34.8  Favored     ?   5   5  1.13   7  0.47  molprobity  
166  166  t         -63.5   -46.2  Favored     ?   9   7  1.55  10  0.41  molprobity  
167  167  tttt      -61.7   -44.0  Favored     ?  11   9  0.75  11  0.73  molprobity  
168  168  tttt      -61.7   -44.0  Favored     ?  11   9  0.75  11  0.73  molprobity  
169  169  t80       -59.6   -43.9  Favored     ?   9  12  0.91  16  0.98  molprobity  
170  170  m         -61.3   -40.7  Favored     ?   5   6  0.62   8  0.50  molprobity  
171  171  ?         -65.9   -43.3  Favored     ?   5   5  0.43   7  0.60  molprobity  
172  172  mmtp      -63.5   -35.1  Favored     ?   7   9  0.82  11  0.46  molprobity  
173  173  mmtp      -63.5   -35.1  Favored     ?   7   9  0.82  11  0.46  molprobity  
174  174  mt        -60.3   -26.6  Favored     ?  11   8  0.46  11  0.96  molprobity  
175  175  mmm       -87.1     3.7  Favored     ?   9   8  0.51  10  0.68  molprobity  
176  176  ?          76.5    27.0  Favored     ?   3   4  0.47   5  0.24  molprobity  
177  177  pt20     -133.4    56.5  Allowed     1   8   8  0.40   9  0.78  molprobity  
#
loop_
_pdbx_vrpt_instance_clashes.ordinal
_pdbx_vrpt_instance_clashes.instance_id
_pdbx_vrpt_instance_clashes.label_atom_id
_pdbx_vrpt_instance_clashes.cid
_pdbx_vrpt_instance_clashes.clashmag
_pdbx_vrpt_instance_clashes.dist
 1    1  O      1  0.42  2.58  
 2    2  C      1  0.42  2.58  
 3   15  NZ     2  1.08  1.86  
 4   15  HE2    3  0.48  1.50  
 5   68  O      4  0.77  1.85  
 6   72  HG23   4  0.77  1.85  
 7   79  HE3    5  0.44  2.16  
 8   82  O      6  0.59  2.02  
 9   83  HG22   6  0.59  2.02  
10   83  HG23   7  0.50  2.26  
11   83  HG23   8  0.42  2.01  
12   84  N      7  0.50  2.26  
13   84  HB2    8  0.42  2.01  
14   85  OG     9  0.46  2.49  
15   86  N      9  0.46  2.49  
16   89  HG23  10  0.74  1.50  
17   89  HG23  11  0.63  2.34  
18  147  HE2   10  0.74  1.50  
19  147  CE2   11  0.63  2.34  
20  168  HB2   12  0.77  1.97  
21  168  HB2   13  0.75  1.51  
22  168  NZ    12  0.77  1.97  
23  168  NZ    14  0.64  2.61  
24  168  HZ2   13  0.75  1.51  
25  168  HZ3   15  0.47  2.27  
26  235  O      2  1.08  1.86  
27  239  O      5  0.44  2.16  
#
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        unknown                                                               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  
##
