data_7D4V

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  7D4V
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    7D4V
_pdbx_vrpt_summary.PDB_deposition_date         2020-09-24
_pdbx_vrpt_summary.PDB_revision_number         3
_pdbx_vrpt_summary.PDB_revision_date           2023-11-29
_pdbx_vrpt_summary.report_creation_date        2023-11-20:08:44
_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      "Methylated-DNA--protein-cysteine methyltransferase"  
2  non-polymer  "SULFATE ION"  
3  water        water  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  2  
C  3  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all   x-ray  
2  1.78  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   67.85  141614     ?     ?  
 2  2  1   58.89   10184  1.76  1.80  
 3  1  2  100.00  138981     ?     ?  
 4  2  2  100.00   10051  1.76  1.80  
 5  1  3   62.50  138945     ?     ?  
 6  2  3   50.55   10050  1.76  1.80  
 7  1  4   76.80  127900     ?     ?  
 8  2  4   77.02    9032  1.76  1.80  
 9  1  5   36.52  130704     ?     ?  
10  2  5   14.29    9185  1.76  1.80  
#
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   48.54  
4  6  3  A  1  1  A   32.59  
5  7  4  A  1  1  A   76.80  
6  8  4  A  1  1  A   77.02  
#
_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      0.93
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ       0.79
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ   1223
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ  1648
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  0.00
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       1.61
_pdbx_vrpt_summary_geometry.clashscore                     3.78
_pdbx_vrpt_summary_geometry.num_H_reduce                   1182
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 1223
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.79
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                1648
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.93
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.Babinet_b                 57.959
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            41.342
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         27.258
_pdbx_vrpt_summary_diffraction.I_over_sigma              8.27(1.78A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        15427
_pdbx_vrpt_summary_diffraction.Babinet_k                 0.218
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.373
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.473
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.303
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.952
_pdbx_vrpt_summary_diffraction.DCC_R                     0.21
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.25
_pdbx_vrpt_summary_diffraction.EDS_R                     0.21
_pdbx_vrpt_summary_diffraction.EDS_res_high              1.78
_pdbx_vrpt_summary_diffraction.EDS_res_low               39.96
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[27.784,27.232,26.803,0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.036
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 10.22% 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         2
_pdbx_vrpt_summary_diffraction.centric_outliers          0
_pdbx_vrpt_summary_diffraction.data_completeness         99.75
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      656
_pdbx_vrpt_summary_diffraction.percent_free_reflections  4.25
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     1.33
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       1.78
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        39.96
_pdbx_vrpt_summary_diffraction.PDB_R                     0.21
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.25
#
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_angle_outliers
_pdbx_vrpt_model_instance.count_clashes
  1  1  1  A    1  MET  A    1  .  ?        ?     ?  
  2  1  1  A    2  ILE  A    2  .  ?        ?     1  
  3  1  1  A    3  VAL  A    3  .  ?        ?     ?  
  4  1  1  A    4  TYR  A    4  .  ?        ?     ?  
  5  1  1  A    5  GLY  A    5  .  ?        ?     ?  
  6  1  1  A    6  LEU  A    6  .  ?        ?     ?  
  7  1  1  A    7  TYR  A    7  .  ?        ?     ?  
  8  1  1  A    8  LYS  A    8  .  ?        ?     ?  
  9  1  1  A    9  SER  A    9  .  ?        ?     ?  
 10  1  1  A   10  PRO  A   10  .  ?        ?     ?  
 11  1  1  A   11  PHE  A   11  .  ?        ?     ?  
 12  1  1  A   12  GLY  A   12  .  ?        ?     ?  
 13  1  1  A   13  PRO  A   13  .  ?        ?     ?  
 14  1  1  A   14  ILE  A   14  .  ?        ?     ?  
 15  1  1  A   15  THR  A   15  .  ?        ?     ?  
 16  1  1  A   16  VAL  A   16  .  ?        ?     ?  
 17  1  1  A   17  ALA  A   17  .  ?        ?     1  
 18  1  1  A   18  LYS  A   18  .  ?        ?     ?  
 19  1  1  A   19  ASN  A   19  .  ?        ?     ?  
 20  1  1  A   20  GLU  A   20  .  ?        ?     ?  
 21  1  1  A   21  LYS  A   21  .  ?        ?     ?  
 22  1  1  A   22  GLY  A   22  .  ?        ?     ?  
 23  1  1  A   23  PHE  A   23  .  ?        ?     ?  
 24  1  1  A   24  VAL  A   24  .  ?        ?     ?  
 25  1  1  A   25  MET  A   25  .  ?        ?     ?  
 26  1  1  A   26  LEU  A   26  .  ?        ?     ?  
 27  1  1  A   27  ASP  A   27  .  ?        ?     ?  
 28  1  1  A   28  PHE  A   28  .  ?        ?     ?  
 29  1  1  A   29  CYS  A   29  A  ?        ?     ?  
 30  1  1  A   29  CYS  A   29  B  ?        ?     ?  
 31  1  1  A   30  ASP  A   30  .  ?        ?     ?  
 32  1  1  A   31  CYS  A   31  A  ?        ?     ?  
 33  1  1  A   31  CYS  A   31  B  ?        ?     ?  
 34  1  1  A   32  ALA  A   32  .  ?        ?     ?  
 35  1  1  A   33  GLU  A   33  .  ?        ?     ?  
 36  1  1  A   34  ARG  A   34  .  ?        ?     ?  
 37  1  1  A   35  SER  A   35  .  ?        ?     ?  
 38  1  1  A   36  SER  A   36  .  ?        ?     ?  
 39  1  1  A   37  LEU  A   37  .  ?        ?     ?  
 40  1  1  A   38  ASP  A   38  .  ?        ?     ?  
 41  1  1  A   39  ASN  A   39  .  ?        ?     ?  
 42  1  1  A   40  ASP  A   40  .  ?        ?     ?  
 43  1  1  A   41  TYR  A   41  .  ?        ?     ?  
 44  1  1  A   42  PHE  A   42  .  ?        ?     ?  
 45  1  1  A   43  THR  A   43  .  ?        ?     ?  
 46  1  1  A   44  ASP  A   44  .  ?        ?     1  
 47  1  1  A   45  PHE  A   45  .  ?        ?     ?  
 48  1  1  A   46  PHE  A   46  .  ?        ?     ?  
 49  1  1  A   47  TYR  A   47  .  ?        ?     ?  
 50  1  1  A   48  LYS  A   48  .  ?        ?     ?  
 51  1  1  A   49  LEU  A   49  .  ?        ?     ?  
 52  1  1  A   50  ASP  A   50  .  ?        ?     ?  
 53  1  1  A   51  LEU  A   51  .  ?        ?     ?  
 54  1  1  A   52  TYR  A   52  .  ?        ?     ?  
 55  1  1  A   53  PHE  A   53  .  ?        ?     ?  
 56  1  1  A   54  GLU  A   54  .  ?        ?     ?  
 57  1  1  A   55  GLY  A   55  .  ?        ?     ?  
 58  1  1  A   56  LYS  A   56  .  ?        ?     ?  
 59  1  1  A   57  LYS  A   57  .  ?        ?     ?  
 60  1  1  A   58  VAL  A   58  .  ?        ?     ?  
 61  1  1  A   59  ASP  A   59  .  ?        ?     ?  
 62  1  1  A   60  LEU  A   60  .  ?        ?     ?  
 63  1  1  A   61  THR  A   61  .  ?        ?     ?  
 64  1  1  A   62  GLU  A   62  .  ?        ?     ?  
 65  1  1  A   63  PRO  A   63  .  ?        ?     ?  
 66  1  1  A   64  VAL  A   64  .  ?        ?     ?  
 67  1  1  A   65  ASP  A   65  .  ?        ?     ?  
 68  1  1  A   66  PHE  A   66  .  ?        ?     ?  
 69  1  1  A   67  LYS  A   67  .  ?        ?     ?  
 70  1  1  A   68  PRO  A   68  .  ?        ?     ?  
 71  1  1  A   69  PHE  A   69  .  ?        ?     ?  
 72  1  1  A   70  ASN  A   70  .  ?        ?     ?  
 73  1  1  A   71  GLU  A   71  .  ?        ?     ?  
 74  1  1  A   72  PHE  A   72  .  ?        ?     ?  
 75  1  1  A   73  ARG  A   73  .  ?        ?     4  
 76  1  1  A   74  ILE  A   74  .  ?        ?     ?  
 77  1  1  A   75  ARG  A   75  .  ?        ?     ?  
 78  1  1  A   76  VAL  A   76  .  ?        ?     ?  
 79  1  1  A   77  PHE  A   77  .  ?        ?     ?  
 80  1  1  A   78  LYS  A   78  .  ?        ?     ?  
 81  1  1  A   79  GLU  A   79  .  ?        ?     ?  
 82  1  1  A   80  VAL  A   80  .  ?        ?     ?  
 83  1  1  A   81  MET  A   81  .  ?        ?     ?  
 84  1  1  A   82  ARG  A   82  .  ?        2     ?  
 85  1  1  A   83  ILE  A   83  .  ?        ?     ?  
 86  1  1  A   84  LYS  A   84  .  ?        ?     ?  
 87  1  1  A   85  TRP  A   85  .  ?        ?     ?  
 88  1  1  A   86  GLY  A   86  .  ?        ?     ?  
 89  1  1  A   87  GLU  A   87  .  ?        ?     ?  
 90  1  1  A   88  VAL  A   88  .  ?        ?     ?  
 91  1  1  A   89  ARG  A   89  .  ?        ?     ?  
 92  1  1  A   90  THR  A   90  .  ?        ?     1  
 93  1  1  A   91  PHE  A   91  .  ?        ?     ?  
 94  1  1  A   92  LYS  A   92  .  ?        ?     ?  
 95  1  1  A   93  GLN  A   93  .  ?        ?     ?  
 96  1  1  A   94  VAL  A   94  .  ?        ?     ?  
 97  1  1  A   95  ALA  A   95  .  ?        ?     ?  
 98  1  1  A   96  ASP  A   96  .  ?        ?     ?  
 99  1  1  A   97  ALA  A   97  .  ?        ?     ?  
100  1  1  A   98  VAL  A   98  .  ?        ?     ?  
101  1  1  A   99  LYS  A   99  .  ?        ?     ?  
102  1  1  A  100  THR  A  100  .  ?        ?     ?  
103  1  1  A  101  SER  A  101  .  ?        ?     ?  
104  1  1  A  102  PRO  A  102  .  ?        ?     ?  
105  1  1  A  103  ARG  A  103  .  ?        ?     1  
106  1  1  A  104  ALA  A  104  .  ?        ?     ?  
107  1  1  A  105  VAL  A  105  .  ?        ?     ?  
108  1  1  A  106  GLY  A  106  .  ?        ?     ?  
109  1  1  A  107  THR  A  107  .  ?        ?     1  
110  1  1  A  108  ALA  A  108  .  ?        ?     ?  
111  1  1  A  109  LEU  A  109  .  ?        ?     2  
112  1  1  A  110  SER  A  110  .  ?        ?     ?  
113  1  1  A  111  LYS  A  111  .  ?        ?     ?  
114  1  1  A  112  ASN  A  112  .  ?        ?     ?  
115  1  1  A  113  ASN  A  113  .  ?        ?     ?  
116  1  1  A  114  VAL  A  114  .  ?        ?     ?  
117  1  1  A  115  LEU  A  115  .  ?        ?     ?  
118  1  1  A  116  LEU  A  116  .  ?        ?     ?  
119  1  1  A  117  ILE  A  117  .  ?        ?     ?  
120  1  1  A  118  ILE  A  118  .  ?        ?     ?  
121  1  1  A  119  PRO  A  119  .  ?        ?     ?  
122  1  1  A  120  SER  A  120  .  ?        ?     ?  
123  1  1  A  121  HIS  A  121  .  ?        ?     ?  
124  1  1  A  122  ARG  A  122  .  ?        1     ?  
125  1  1  A  123  VAL  A  123  .  ?        ?     ?  
126  1  1  A  124  ILE  A  124  .  ?        ?     1  
127  1  1  A  125  GLY  A  125  .  ?        ?     ?  
128  1  1  A  126  GLU  A  126  .  ?        ?     ?  
129  1  1  A  127  LYS  A  127  .  ?        ?     2  
130  1  1  A  128  SER  A  128  .  ?        ?     ?  
131  1  1  A  129  LEU  A  129  .  ?        ?     ?  
132  1  1  A  130  GLY  A  130  .  ?        ?     ?  
133  1  1  A  131  GLY  A  131  .  ?        ?     ?  
134  1  1  A  132  TYR  A  132  .  ?        ?     ?  
135  1  1  A  133  SER  A  133  .  ?        ?     ?  
136  1  1  A  134  ARG  A  134  .  ?        ?     ?  
137  1  1  A  135  GLY  A  135  .  ?        ?     ?  
138  1  1  A  136  VAL  A  136  .  ?        ?     ?  
139  1  1  A  137  GLU  A  137  .  ?        ?     ?  
140  1  1  A  138  LEU  A  138  .  ?        ?     ?  
141  1  1  A  139  LYS  A  139  .  ?        ?     ?  
142  1  1  A  140  ARG  A  140  .  ?        ?     1  
143  1  1  A  141  LYS  A  141  .  ?        ?     ?  
144  1  1  A  142  LEU  A  142  .  ?        ?     ?  
145  1  1  A  143  LEU  A  143  .  ?        ?     ?  
146  1  1  A  144  GLU  A  144  .  ?        ?     ?  
147  1  1  A  145  LEU  A  145  .  ?        ?     ?  
148  1  1  A  146  GLU  A  146  .  ?        ?     ?  
149  1  1  A  147  GLY  A  147  .  ?        ?     ?  
150  1  1  A  148  ILE  A  148  .  ?        ?     ?  
151  1  1  A  149  ASP  A  149  .  ?        ?     ?  
152  1  1  A  150  VAL  A  150  .  ?        ?     ?  
153  1  2  B    .  SO4  A  201  .  ?        ?     ?  
154  1  3  C    .  HOH  A  301  .  ?        ?     1  
155  1  3  C    .  HOH  A  302  .  ?        ?     ?  
156  1  3  C    .  HOH  A  303  .  ?        ?     ?  
157  1  3  C    .  HOH  A  304  .  ?        ?     ?  
158  1  3  C    .  HOH  A  305  .  ?        ?     ?  
159  1  3  C    .  HOH  A  306  .  ?        ?     ?  
160  1  3  C    .  HOH  A  307  .  ?        ?     ?  
161  1  3  C    .  HOH  A  308  .  ?        ?     ?  
162  1  3  C    .  HOH  A  309  .  ?        ?     ?  
163  1  3  C    .  HOH  A  310  .  ?        ?     ?  
164  1  3  C    .  HOH  A  311  .  ?        ?     ?  
165  1  3  C    .  HOH  A  312  .  ?        ?     ?  
166  1  3  C    .  HOH  A  313  .  ?        ?     ?  
167  1  3  C    .  HOH  A  314  .  ?        ?     ?  
168  1  3  C    .  HOH  A  315  .  ?        ?     ?  
169  1  3  C    .  HOH  A  316  .  ?        ?     ?  
170  1  3  C    .  HOH  A  317  .  ?        ?     ?  
171  1  3  C    .  HOH  A  318  .  ?        ?     ?  
172  1  3  C    .  HOH  A  319  .  ?        ?     ?  
173  1  3  C    .  HOH  A  320  .  ?        ?     ?  
174  1  3  C    .  HOH  A  321  .  ?        ?     ?  
175  1  3  C    .  HOH  A  322  .  ?        ?     ?  
176  1  3  C    .  HOH  A  323  .  ?        ?     ?  
177  1  3  C    .  HOH  A  324  .  ?        ?     ?  
178  1  3  C    .  HOH  A  325  .  ?        ?     ?  
179  1  3  C    .  HOH  A  326  .  ?        ?     ?  
180  1  3  C    .  HOH  A  327  .  ?        ?     ?  
181  1  3  C    .  HOH  A  328  .  ?        ?     ?  
182  1  3  C    .  HOH  A  329  .  ?        ?     ?  
183  1  3  C    .  HOH  A  330  .  ?        ?     ?  
184  1  3  C    .  HOH  A  331  .  ?        ?     ?  
185  1  3  C    .  HOH  A  332  .  ?        ?     ?  
186  1  3  C    .  HOH  A  333  .  ?        ?     ?  
187  1  3  C    .  HOH  A  334  .  ?        ?     ?  
188  1  3  C    .  HOH  A  335  .  ?        ?     ?  
189  1  3  C    .  HOH  A  336  .  ?        ?     ?  
190  1  3  C    .  HOH  A  337  .  ?        ?     ?  
191  1  3  C    .  HOH  A  338  .  ?        ?     ?  
192  1  3  C    .  HOH  A  339  .  ?        ?     ?  
193  1  3  C    .  HOH  A  340  .  ?        ?     ?  
194  1  3  C    .  HOH  A  341  .  ?        ?     ?  
195  1  3  C    .  HOH  A  342  .  ?        ?     ?  
196  1  3  C    .  HOH  A  343  .  ?        ?     ?  
197  1  3  C    .  HOH  A  344  .  ?        ?     ?  
198  1  3  C    .  HOH  A  345  .  ?        ?     ?  
199  1  3  C    .  HOH  A  346  .  ?        ?     ?  
200  1  3  C    .  HOH  A  347  .  ?        ?     ?  
201  1  3  C    .  HOH  A  348  .  ?        ?     ?  
202  1  3  C    .  HOH  A  349  .  ?        ?     1  
203  1  3  C    .  HOH  A  350  .  ?        ?     ?  
204  1  3  C    .  HOH  A  351  .  ?        ?     ?  
205  1  3  C    .  HOH  A  352  .  ?        ?     ?  
206  1  3  C    .  HOH  A  353  .  ?        ?     ?  
207  1  3  C    .  HOH  A  354  .  ?        ?     ?  
208  1  3  C    .  HOH  A  355  .  ?        ?     ?  
#
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  OUTLIER       ?       ?  ?          11  52.170     8  0.85    10  0.97  molprobity  1.000  
  2    2  tp        -95.7   135.6  Favored    11  38.060     8  0.89    11  0.60  molprobity  1.000  
  3    3  p        -127.8   141.1  Favored     9  26.400     7  0.80    10  1.10  molprobity  1.000  
  4    4  m-85     -108.6   158.9  Favored     9  25.680    13  0.71    18  0.45  molprobity  1.000  
  5    5  ?        -138.9   163.3  Favored     3  24.240     4  0.56     5  1.15  molprobity  1.000  
  6    6  tp       -138.2   124.2  Favored    11  31.620     8  0.38    11  1.12  molprobity  1.000  
  7    7  t80      -123.9   133.5  Favored     9  25.660    13  0.75    18  0.59  molprobity  1.000  
  8    8  ?         -95.2   107.3  Favored     6  32.640     7  0.77     9  1.58  molprobity  1.000  
  9    9  p         -98.4   164.2  Favored     5  28.990     6  0.68     9  0.53  molprobity  1.000  
 10   10  Cg_exo    -65.8   -15.4  Favored     7  31.840     8  0.72    11  0.67  molprobity  1.000  
 11   11  m-30      -99.7    10.2  Favored     9  34.670    12  0.64    16  0.78  molprobity  1.000  
 12   12  ?         109.1  -177.2  Favored     3  29.970     4  0.71     6  0.43  molprobity  1.000  
 13   13  Cg_endo   -63.4   149.3  Favored     7  24.920     8  0.44    11  0.83  molprobity  1.000  
 14   14  mt       -122.0   124.5  Favored    11  23.520     8  0.88    11  0.58  molprobity  1.000  
 15   15  m        -101.1   131.9  Favored     7  21.520     7  0.36    10  0.70  molprobity  1.000  
 16   16  m        -120.0   156.3  Favored     9  19.650     7  0.68    10  0.82  molprobity  1.000  
 17   17  ?        -148.3   143.9  Favored     5  18.920     5  0.89     7  0.82  molprobity  1.000  
 18   18  pttt     -144.1   162.1  Favored    13  24.450     9  0.81    11  0.97  molprobity  1.000  
 19   19  p30      -117.6  -168.8  Allowed     6  28.400     8  0.61    11  1.11  molprobity  1.000  
 20   20  ?         -55.3   -40.0  Favored     2  38.070     5  0.79     7  0.58  molprobity  1.000  
 21   21  ?         -78.2   -30.4  Favored     4  36.590     6  0.79     8  0.90  molprobity  1.000  
 22   22  ?         152.0  -168.2  Favored     3  24.640     4  0.79     5  0.46  molprobity  1.000  
 23   23  m-85      -64.3   137.0  Favored     9  21.510    12  0.44    16  0.55  molprobity  1.000  
 24   24  m        -116.7   -15.3  Favored     9  23.030     7  0.82    10  0.83  molprobity  1.000  
 25   25  ttt      -152.2   140.6  Favored     9  23.740     8  0.67    10  1.27  molprobity  1.000  
 26   26  tt       -148.4   116.9  Favored    11  17.100     8  0.45    11  0.97  molprobity  1.000  
 27   27  t0       -141.7   157.5  Favored     4  18.190     8  0.82    11  1.56  molprobity  1.000  
 28   28  m-85      -87.7    83.3  Favored     9  21.570    12  0.68    16  0.96  molprobity  1.000  
 29   29  p        -166.9   169.5  Favored     4  22.900     6  0.67     8  0.82  molprobity  1.000  
 30   30  p        -166.9   169.5  Favored     4  22.900     6  0.67     8  0.82  molprobity  1.000  
 31   31  t0       -107.1    95.5  Favored     4  32.110     8  0.78    11  1.32  molprobity  1.000  
 32   32  OUTLIER  -133.6    17.2  Favored     4  31.900     6  0.83     8  1.67  molprobity  1.000  
 33   33  OUTLIER  -133.6    17.2  Favored     4  31.900     6  0.83     8  1.67  molprobity  1.000  
 34   34  ?         -76.4   138.3  Favored     5  31.630     5  0.93     7  1.23  molprobity  1.000  
 35   35  ?         -69.6   106.0  Favored     4  34.340     6  0.82     8  1.36  molprobity  1.000  
 36   36  ?         -61.9   -25.4  Favored     4  35.100     6  0.82     8  0.95  molprobity  1.000  
 37   37  p         -77.0    -5.7  Favored     5  33.480     6  1.02     8  0.50  molprobity  1.000  
 38   38  m        -126.2    10.8  Favored     5  30.670     6  1.07     8  0.60  molprobity  1.000  
 39   39  tp        -79.3   125.1  Favored    11  28.960     8  0.88    11  1.01  molprobity  1.000  
 40   40  t0       -155.5    97.9  Allowed     4  23.900     8  0.95    11  0.79  molprobity  1.000  
 41   41  m-20      -62.4   -17.0  Favored     6  26.860     8  1.16    11  0.45  molprobity  1.000  
 42   42  m-20      -65.6   -21.5  Favored     4  29.680     8  0.73    11  0.82  molprobity  1.000  
 43   43  m-85      -82.3     5.7  Favored     9  28.770    13  0.49    18  0.74  molprobity  1.000  
 44   44  m-85     -131.6    16.9  Favored     9  25.090    12  0.50    16  0.96  molprobity  1.000  
 45   45  m         -53.3   -51.7  Favored     7  33.620     7  0.93    10  0.94  molprobity  1.000  
 46   46  m-20      -66.1   -39.4  Favored     4  35.430     8  0.73    11  1.23  molprobity  1.000  
 47   47  t80       -68.4   -41.4  Favored     9  22.520    12  0.54    16  0.85  molprobity  1.000  
 48   48  m-30      -68.9   -32.1  Favored     9  26.030    12  0.57    16  0.53  molprobity  1.000  
 49   49  t80       -60.4   -43.3  Favored     9  41.090    13  0.67    18  0.93  molprobity  1.000  
 50   50  mtmt      -62.8   -41.2  Favored    13  27.430     9  0.44    11  0.94  molprobity  1.000  
 51   51  mt        -63.5   -37.4  Favored    11  24.150     8  0.90    11  0.55  molprobity  1.000  
 52   52  m-20      -58.6   -47.9  Favored     4  30.270     8  0.57    11  1.07  molprobity  1.000  
 53   53  mt        -61.6   -49.1  Favored    11  33.400     8  0.60    11  0.60  molprobity  1.000  
 54   54  t80       -50.0   -53.9  Favored     9  24.940    13  0.79    18  0.62  molprobity  1.000  
 55   55  m-85      -75.1   -11.9  Favored     9  29.140    12  0.66    16  1.11  molprobity  1.000  
 56   56  mt-10     -83.4    -7.8  Favored     6  41.910     9  0.99    12  0.74  molprobity  1.000  
 57   57  ?          86.3    16.8  Favored     3  33.500     4  1.46     5  0.85  molprobity  1.000  
 58   58  mttp      -83.9   141.5  Favored    13  37.850     9  1.26    11  1.02  molprobity  1.000  
 59   59  ttmt      -57.8   121.5  Favored    13  31.220     9  0.66    11  0.74  molprobity  1.000  
 60   60  p        -156.8   142.1  Favored     9  23.760     7  0.84    10  0.98  molprobity  1.000  
 61   61  t0        -89.0   106.1  Favored     4  21.810     8  0.94    11  1.17  molprobity  1.000  
 62   62  mt        -83.3    -5.8  Favored    11  23.140     8  1.17    11  0.88  molprobity  1.000  
 63   63  p         -63.9   150.1  Favored     7  19.920     7  0.44    10  1.64  molprobity  1.000  
 64   64  mm-40    -149.7   156.0  Favored     6  22.840     9  1.24    13  1.03  molprobity  1.000  
 65   65  Cg_exo    -56.0   138.6  Favored     7  24.080     8  0.60    11  1.31  molprobity  1.000  
 66   66  t        -116.3   141.6  Favored     9  22.200     7  0.72    10  0.69  molprobity  1.000  
 67   67  t0        -81.7   111.8  Favored     4  28.960     8  0.87    11  0.62  molprobity  1.000  
 68   68  m-85      -97.0     2.9  Favored     9  31.770    12  0.54    16  0.64  molprobity  1.000  
 69   69  ?         -46.3   -46.6  Favored     4  39.010     6  0.98     9  0.81  molprobity  1.000  
 70   70  Cg_exo    -70.3   -12.0  Favored     7  38.910     8  0.68    11  1.02  molprobity  1.000  
 71   71  m-85     -107.2   152.2  Favored     9  41.540    12  0.51    16  1.00  molprobity  1.000  
 72   72  p30       -75.7   165.8  Favored     6  46.150     8  0.71    11  0.88  molprobity  1.000  
 73   73  pt-20     -71.2   -21.8  Favored     6  50.760     9  0.90    12  0.57  molprobity  1.000  
 74   74  t80       -69.5   -49.0  Favored     9  43.090    12  0.54    16  0.65  molprobity  1.000  
 75   75  mtt-85    -66.8   -41.5  Favored    13  42.750    11  0.68    14  1.79  molprobity  1.000  
 76   76  mt        -56.4   -44.5  Favored    11  28.600     8  0.99    11  0.58  molprobity  1.000  
 77   77  ttt180    -61.6   -49.4  Favored    13  33.040    11  0.40    14  0.75  molprobity  1.000  
 78   78  t         -59.5   -48.4  Favored     9  24.320     7  0.91    10  0.72  molprobity  1.000  
 79   79  m-30      -63.3   -37.0  Favored     9  23.650    12  0.60    16  0.46  molprobity  1.000  
 80   80  mttm      -71.4   -37.8  Favored    13  24.630     9  0.48    11  1.17  molprobity  1.000  
 81   81  tp10      -65.5   -40.5  Favored     6  28.330     9  1.26    12  0.44  molprobity  1.000  
 82   82  t         -68.1   -34.2  Favored     9  20.350     7  0.92    10  0.61  molprobity  1.000  
 83   83  mtp       -65.0   -18.3  Favored     9  24.850     8  0.87    10  0.66  molprobity  1.000  
 84   84  mmt85     -76.3   -17.2  Favored    13  35.590    11  1.05    14  2.40  molprobity  1.000  
 85   85  mt        -77.0   115.7  Favored    11  25.160     8  0.84    11  0.98  molprobity  1.000  
 86   86  pttt      -87.7   163.2  Favored    13  24.390     9  0.60    11  0.53  molprobity  1.000  
 87   87  t90       -45.6   131.5  Favored    10  24.730    16  0.63    23  0.67  molprobity  1.000  
 88   88  ?          79.2     1.6  Favored     3  27.530     4  1.53     5  0.80  molprobity  1.000  
 89   89  tt0      -102.4   144.0  Favored     6  30.590     9  0.97    12  0.87  molprobity  1.000  
 90   90  m        -120.1   158.4  Favored     9  28.340     7  0.74    10  1.09  molprobity  1.000  
 91   91  ?        -129.9   153.4  Favored     8  33.190     8  0.63    10  1.32  molprobity  1.000  
 92   92  p         -81.4   159.4  Favored     7  28.800     7  0.46    10  0.86  molprobity  1.000  
 93   93  m-85      -47.9   -44.2  Favored     9  26.770    12  0.55    16  0.66  molprobity  1.000  
 94   94  tptt      -60.1   -54.4  Favored    13  39.340     9  0.79    11  0.84  molprobity  1.000  
 95   95  mt-30     -57.1   -46.4  Favored     8  33.360     9  0.48    12  0.53  molprobity  1.000  
 96   96  t         -65.1   -38.7  Favored     9  28.190     7  1.06    10  0.63  molprobity  1.000  
 97   97  ?         -64.0   -45.5  Favored     5  28.150     5  0.68     7  0.64  molprobity  1.000  
 98   98  m-20      -58.9   -44.3  Favored     4  36.810     8  0.80    11  0.99  molprobity  1.000  
 99   99  ?         -60.5   -43.2  Favored     5  36.730     5  0.60     7  0.88  molprobity  1.000  
100  100  m        -101.2     4.1  Favored     9  34.380     7  0.85    10  0.76  molprobity  1.000  
101  101  ?          71.0    50.8  Allowed     6  38.250     7  0.58     9  0.95  molprobity  1.000  
102  102  t        -140.4  -169.5  Favored     7  39.710     7  0.74    10  0.71  molprobity  1.000  
103  103  p         -98.5   153.5  Favored     5  38.120     6  1.06     9  0.62  molprobity  1.000  
104  104  Cg_exo    -53.4   -38.3  Favored     7  37.670     8  0.26    11  0.73  molprobity  1.000  
105  105  mtp180    -70.7   -36.2  Favored    13  50.580    11  0.68    14  1.57  molprobity  1.000  
106  106  ?         -66.4   -38.1  Favored     5  30.620     5  0.86     7  0.76  molprobity  1.000  
107  107  t         -56.8   -45.3  Favored     9  28.070     7  1.26    10  0.95  molprobity  1.000  
108  108  ?         -61.9   -45.8  Favored     3  26.670     4  0.95     5  0.91  molprobity  1.000  
109  109  p         -66.6   -42.3  Favored     7  31.570     7  0.60    10  0.81  molprobity  1.000  
110  110  ?         -57.2   -49.8  Favored     5  27.120     5  0.84     7  0.45  molprobity  1.000  
111  111  mt        -68.7   -28.8  Favored    11  28.300     8  0.51    11  0.73  molprobity  1.000  
112  112  p         -60.6   -21.8  Favored     5  24.930     6  1.16     8  0.95  molprobity  1.000  
113  113  mmtt      -99.5     6.3  Favored    13  32.740     9  0.58    11  1.03  molprobity  1.000  
114  114  t30       -60.5   131.0  Favored     6  22.210     8  1.04    11  1.22  molprobity  1.000  
115  115  m-20      -99.0   -17.1  Favored     6  22.550     8  0.96    11  0.64  molprobity  1.000  
116  116  t        -122.0    84.0  Allowed     9  18.510     7  0.63    10  0.96  molprobity  1.000  
117  117  mp        -66.7   156.1  Favored    11  18.540     8  0.51    11  1.21  molprobity  1.000  
118  118  mt         73.5   -61.0  Allowed    11  18.620     8  0.51    11  0.75  molprobity  1.000  
119  119  mt        -55.8   -50.7  Favored    11  18.410     8  0.85    11  0.51  molprobity  1.000  
120  120  mt        -94.2   102.9  Favored    11  18.720     8  0.43    12  1.06  molprobity  1.000  
121  121  Cg_endo   -78.8    65.3  Favored     7  19.000     8  0.46    11  0.55  molprobity  1.000  
122  122  p         -59.9   -20.0  Favored     5  19.210     6  1.35     8  0.66  molprobity  1.000  
123  123  p-80      -77.6   -15.8  Favored     7  19.470    11  0.97    15  0.61  molprobity  1.000  
124  124  mtt180    -86.7    -4.8  Favored    13  20.770    11  0.94    14  1.90  molprobity  1.000  
125  125  t        -103.2   110.4  Favored     9  22.950     7  0.58    10  1.02  molprobity  1.000  
126  126  pt       -122.5   176.7  Favored    11  29.040     8  0.83    11  0.51  molprobity  1.000  
127  127  ?         -88.0   163.9  Favored     3  33.450     4  0.90     5  0.92  molprobity  1.000  
128  128  mt-10     -65.7   -45.4  Favored     6  51.930     9  0.61    12  1.00  molprobity  1.000  
129  129  ?        -122.9    34.6  Favored     3  46.650     6  0.68     6  1.20  molprobity  1.000  
130  130  p        -177.7   163.7  Allowed     5  41.740     6  0.91     8  0.77  molprobity  1.000  
131  131  mt        -61.4   -36.0  Favored    11  34.760     8  0.72    11  0.96  molprobity  1.000  
132  132  ?          85.5  -179.2  Favored     3  25.900     4  0.78     5  0.86  molprobity  1.000  
133  133  ?         -73.7   153.4  Favored     3  24.310     4  0.62     5  0.67  molprobity  1.000  
134  134  t80      -152.8   135.6  Favored     9  20.020    13  0.74    18  0.61  molprobity  1.000  
135  135  p         -58.0   -28.4  Favored     5  21.550     6  1.07     8  0.65  molprobity  1.000  
136  136  mmt180   -108.2    13.5  Favored    13  20.680    11  0.76    14  0.97  molprobity  1.000  
137  137  ?          89.6   169.2  Favored     3  23.830     4  2.52     5  0.99  molprobity  1.000  
138  138  p         -66.3   -32.8  Favored     9  28.760     7  0.50    10  1.14  molprobity  1.000  
139  139  mm-40     -61.4   -53.7  Favored     6  42.290     9  0.64    12  1.01  molprobity  1.000  
140  140  tp        -68.4   -43.3  Favored    11  23.940     8  0.50    11  0.85  molprobity  1.000  
141  141  tttt      -56.6   -42.1  Favored    13  22.000     9  0.68    11  0.46  molprobity  1.000  
142  142  ttp-105   -67.0   -51.6  Favored    13  41.530    11  0.63    14  0.91  molprobity  1.000  
143  143  mptt      -47.2   -47.8  Favored    13  36.670     9  0.61    11  0.76  molprobity  1.000  
144  144  mt        -65.8   -44.9  Favored    11  22.410     8  0.58    11  0.61  molprobity  1.000  
145  145  mt        -67.8   -43.1  Favored    11  27.520     8  1.14    11  0.68  molprobity  1.000  
146  146  mt-10     -60.4   -38.6  Favored     6  40.880     9  0.86    12  0.71  molprobity  1.000  
147  147  tp        -60.0   -28.9  Favored    11  31.410     8  0.74    11  0.84  molprobity  1.000  
148  148  mt-10     -96.1     7.8  Favored     6  26.190     9  1.03    12  0.40  molprobity  1.000  
149  149  ?          87.5    14.9  Favored     3  33.510     4  0.86     5  0.88  molprobity  1.000  
150  150  mp        -78.8   128.1  Favored    11  38.440     8  0.56    11  0.82  molprobity  1.000  
151  151  t0        -80.4    91.8  Favored     4  48.210     8  0.70    11  0.93  molprobity  1.000  
152  152  t             ?       ?  ?           9  42.080     6  0.57     7  0.78  molprobity  1.000  
153  153  ?             ?       ?  ?           ?  67.850     4  0.35     6  0.15  mogul       1.000  
154  154  ?             ?       ?  ?           ?  54.730     ?     ?     ?     ?  ?           1.000  
155  155  ?             ?       ?  ?           ?  46.870     ?     ?     ?     ?  ?           1.000  
156  156  ?             ?       ?  ?           ?  36.490     ?     ?     ?     ?  ?           1.000  
157  157  ?             ?       ?  ?           ?  34.160     ?     ?     ?     ?  ?           1.000  
158  158  ?             ?       ?  ?           ?  34.720     ?     ?     ?     ?  ?           1.000  
159  159  ?             ?       ?  ?           ?  29.090     ?     ?     ?     ?  ?           1.000  
160  160  ?             ?       ?  ?           ?  26.310     ?     ?     ?     ?  ?           1.000  
161  161  ?             ?       ?  ?           ?  35.160     ?     ?     ?     ?  ?           1.000  
162  162  ?             ?       ?  ?           ?  23.560     ?     ?     ?     ?  ?           1.000  
163  163  ?             ?       ?  ?           ?  33.460     ?     ?     ?     ?  ?           1.000  
164  164  ?             ?       ?  ?           ?  17.700     ?     ?     ?     ?  ?           1.000  
165  165  ?             ?       ?  ?           ?  23.660     ?     ?     ?     ?  ?           1.000  
166  166  ?             ?       ?  ?           ?  39.690     ?     ?     ?     ?  ?           1.000  
167  167  ?             ?       ?  ?           ?  34.640     ?     ?     ?     ?  ?           1.000  
168  168  ?             ?       ?  ?           ?  29.200     ?     ?     ?     ?  ?           1.000  
169  169  ?             ?       ?  ?           ?  28.000     ?     ?     ?     ?  ?           1.000  
170  170  ?             ?       ?  ?           ?  28.010     ?     ?     ?     ?  ?           1.000  
171  171  ?             ?       ?  ?           ?  33.930     ?     ?     ?     ?  ?           1.000  
172  172  ?             ?       ?  ?           ?  31.470     ?     ?     ?     ?  ?           1.000  
173  173  ?             ?       ?  ?           ?  34.760     ?     ?     ?     ?  ?           1.000  
174  174  ?             ?       ?  ?           ?  34.190     ?     ?     ?     ?  ?           1.000  
175  175  ?             ?       ?  ?           ?  26.490     ?     ?     ?     ?  ?           1.000  
176  176  ?             ?       ?  ?           ?  28.070     ?     ?     ?     ?  ?           1.000  
177  177  ?             ?       ?  ?           ?  40.170     ?     ?     ?     ?  ?           1.000  
178  178  ?             ?       ?  ?           ?  32.340     ?     ?     ?     ?  ?           1.000  
179  179  ?             ?       ?  ?           ?  24.990     ?     ?     ?     ?  ?           1.000  
180  180  ?             ?       ?  ?           ?  24.470     ?     ?     ?     ?  ?           1.000  
181  181  ?             ?       ?  ?           ?  26.870     ?     ?     ?     ?  ?           1.000  
182  182  ?             ?       ?  ?           ?  30.720     ?     ?     ?     ?  ?           1.000  
183  183  ?             ?       ?  ?           ?  21.580     ?     ?     ?     ?  ?           1.000  
184  184  ?             ?       ?  ?           ?  28.600     ?     ?     ?     ?  ?           1.000  
185  185  ?             ?       ?  ?           ?  35.670     ?     ?     ?     ?  ?           1.000  
186  186  ?             ?       ?  ?           ?  34.340     ?     ?     ?     ?  ?           1.000  
187  187  ?             ?       ?  ?           ?  35.860     ?     ?     ?     ?  ?           1.000  
188  188  ?             ?       ?  ?           ?  35.590     ?     ?     ?     ?  ?           1.000  
189  189  ?             ?       ?  ?           ?  21.970     ?     ?     ?     ?  ?           1.000  
190  190  ?             ?       ?  ?           ?  32.710     ?     ?     ?     ?  ?           1.000  
191  191  ?             ?       ?  ?           ?  29.520     ?     ?     ?     ?  ?           1.000  
192  192  ?             ?       ?  ?           ?  34.740     ?     ?     ?     ?  ?           1.000  
193  193  ?             ?       ?  ?           ?  39.260     ?     ?     ?     ?  ?           1.000  
194  194  ?             ?       ?  ?           ?  27.650     ?     ?     ?     ?  ?           1.000  
195  195  ?             ?       ?  ?           ?  34.470     ?     ?     ?     ?  ?           1.000  
196  196  ?             ?       ?  ?           ?  37.590     ?     ?     ?     ?  ?           1.000  
197  197  ?             ?       ?  ?           ?  32.510     ?     ?     ?     ?  ?           1.000  
198  198  ?             ?       ?  ?           ?  33.200     ?     ?     ?     ?  ?           1.000  
199  199  ?             ?       ?  ?           ?  42.790     ?     ?     ?     ?  ?           1.000  
200  200  ?             ?       ?  ?           ?  34.570     ?     ?     ?     ?  ?           1.000  
201  201  ?             ?       ?  ?           ?  36.060     ?     ?     ?     ?  ?           1.000  
202  202  ?             ?       ?  ?           ?  38.990     ?     ?     ?     ?  ?           1.000  
203  203  ?             ?       ?  ?           ?  40.440     ?     ?     ?     ?  ?           1.000  
204  204  ?             ?       ?  ?           ?  32.950     ?     ?     ?     ?  ?           1.000  
205  205  ?             ?       ?  ?           ?  38.840     ?     ?     ?     ?  ?           1.000  
206  206  ?             ?       ?  ?           ?  34.150     ?     ?     ?     ?  ?           1.000  
207  207  ?             ?       ?  ?           ?  37.790     ?     ?     ?     ?  ?           1.000  
208  208  ?             ?       ?  ?           ?  38.900     ?     ?     ?     ?  ?           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    2  HD11  1  0.71  1.72  
 2   17  HB1   1  0.71  1.72  
 3   46  HB3   2  0.57  2.04  
 4   75  HH11  3  0.51  2.24  
 5   75  HH11  4  0.41  1.85  
 6   75  CG    3  0.51  2.24  
 7   75  HG2   4  0.41  1.85  
 8   92  HA    5  0.48  2.13  
 9  105  O     6  0.40  2.21  
10  109  HG23  6  0.40  2.21  
11  111  HD23  7  0.42  1.90  
12  111  HA    7  0.42  1.90  
13  126  O     5  0.48  2.13  
14  129  CG    8  0.49  2.91  
15  129  CA    8  0.49  2.91  
16  142  NH1   9  0.69  1.87  
17  154  O     9  0.69  1.87  
18  202  O     2  0.57  2.04  
#
loop_
_pdbx_vrpt_instance_intra_angle_outliers.ordinal
_pdbx_vrpt_instance_intra_angle_outliers.instance_id
_pdbx_vrpt_instance_intra_angle_outliers.atom_1
_pdbx_vrpt_instance_intra_angle_outliers.atom_2
_pdbx_vrpt_instance_intra_angle_outliers.atom_3
_pdbx_vrpt_instance_intra_angle_outliers.obs
_pdbx_vrpt_instance_intra_angle_outliers.mean
_pdbx_vrpt_instance_intra_angle_outliers.stdev
_pdbx_vrpt_instance_intra_angle_outliers.Z
1   84  CG  CD  NE   101.232  111.800  2.100  -5.03  
2   84  NE  CZ  NH2  117.680  120.300  0.500  -5.24  
3  124  NE  CZ  NH2  117.626  120.300  0.500  -5.35  
#
loop_
_pdbx_vrpt_model_instance_density.ordinal
_pdbx_vrpt_model_instance_density.instance_id
_pdbx_vrpt_model_instance_density.natoms_eds
_pdbx_vrpt_model_instance_density.RSRCC
_pdbx_vrpt_model_instance_density.RSR
_pdbx_vrpt_model_instance_density.RSRZ
  1    1   8  0.754  0.262   3.564  
  2    2   8  0.947  0.134   0.984  
  3    3   7  0.982  0.109   0.392  
  4    4  12  0.947  0.091   0.062  
  5    5   4  0.971  0.097   0.146  
  6    6   8  0.951  0.118   0.542  
  7    7  12  0.966  0.077  -0.317  
  8    8   7  0.963  0.114  -0.254  
  9    9   6  0.968  0.092  -0.081  
 10   10   7  0.928  0.092  -0.030  
 11   11  11  0.950  0.096   0.160  
 12   12   4  0.956  0.124   0.674  
 13   13   7  0.966  0.083  -0.213  
 14   14   8  0.955  0.091  -0.166  
 15   15   7  0.937  0.090  -0.039  
 16   16   7  0.958  0.092  -0.052  
 17   17   5  0.972  0.078  -0.257  
 18   18   9  0.945  0.116  -0.222  
 19   19   8  0.953  0.074  -0.480  
 20   20   5  0.898  0.087  -0.594  
 21   21   6  0.913  0.137   0.106  
 22   22   4  0.958  0.068  -0.420  
 23   23  11  0.957  0.082  -0.232  
 24   24   7  0.948  0.097   0.078  
 25   25   8  0.966  0.094  -0.041  
 26   26   8  0.969  0.102   0.123  
 27   27   8  0.974  0.085  -0.344  
 28   28  11  0.929  0.091   0.020  
 29   29   9  0.960  0.082   0.038  
 30   30   9  0.960  0.082   0.038  
 31   31   8  0.911  0.096  -0.159  
 32   32   9  0.903  0.121   1.178  
 33   33   9  0.903  0.121   1.178  
 34   34   5  0.928  0.098   0.194  
 35   35   6  0.892  0.133   0.084  
 36   36   6  0.925  0.111  -0.080  
 37   37   6  0.933  0.083  -0.254  
 38   38   6  0.954  0.080  -0.312  
 39   39   8  0.950  0.103   0.149  
 40   40   8  0.954  0.088  -0.294  
 41   41   8  0.963  0.078  -0.409  
 42   42   8  0.939  0.084  -0.361  
 43   43  12  0.946  0.092   0.089  
 44   44  11  0.935  0.085  -0.148  
 45   45   7  0.934  0.111   0.417  
 46   46   8  0.877  0.158   0.881  
 47   47  11  0.966  0.092   0.048  
 48   48  11  0.901  0.097   0.188  
 49   49  12  0.904  0.146   1.553  
 50   50   9  0.941  0.138   0.122  
 51   51   8  0.935  0.086  -0.296  
 52   52   8  0.952  0.095  -0.176  
 53   53   8  0.948  0.075  -0.584  
 54   54  12  0.939  0.097   0.225  
 55   55  11  0.905  0.103   0.356  
 56   56   9  0.888  0.125  -0.034  
 57   57   4  0.944  0.072  -0.342  
 58   58   9  0.939  0.134   0.059  
 59   59   9  0.860  0.124  -0.097  
 60   60   7  0.969  0.109   0.392  
 61   61   8  0.942  0.099  -0.109  
 62   62   8  0.951  0.089  -0.217  
 63   63   7  0.958  0.084  -0.170  
 64   64   9  0.963  0.079  -0.711  
 65   65   7  0.964  0.083  -0.213  
 66   66   7  0.938  0.083  -0.287  
 67   67   8  0.933  0.091  -0.243  
 68   68  11  0.954  0.085  -0.148  
 69   69   6  0.896  0.144   0.216  
 70   70   7  0.818  0.155   1.250  
 71   71  11  0.881  0.118   0.776  
 72   72   8  0.908  0.113   0.216  
 73   73   9  0.762  0.233   1.557  
 74   74  11  0.845  0.201   3.101  
 75   75  11  0.903  0.130   0.236  
 76   76   8  0.926  0.104   0.182  
 77   77  11  0.941  0.109  -0.113  
 78   78   7  0.953  0.079  -0.392  
 79   79  11  0.946  0.085  -0.148  
 80   80   9  0.927  0.109  -0.332  
 81   81   9  0.955  0.082  -0.667  
 82   82   7  0.919  0.098   0.104  
 83   83   8  0.966  0.096   0.002  
 84   84  11  0.915  0.131   0.253  
 85   85   8  0.948  0.091  -0.166  
 86   86   9  0.956  0.077  -0.833  
 87   87  14  0.950  0.097   0.326  
 88   88   4  0.875  0.097   0.146  
 89   89   9  0.906  0.118  -0.137  
 90   90   7  0.914  0.113   0.496  
 91   91   8  0.927  0.116   0.003  
 92   92   7  0.967  0.087  -0.104  
 93   93  11  0.932  0.096   0.160  
 94   94   9  0.899  0.194   0.998  
 95   95   9  0.929  0.099  -0.246  
 96   96   7  0.904  0.118   0.627  
 97   97   5  0.948  0.124   0.779  
 98   98   8  0.925  0.104  -0.025  
 99   99   5  0.941  0.088  -0.032  
100  100   7  0.959  0.082  -0.313  
101  101   7  0.886  0.107  -0.363  
102  102   7  0.927  0.104   0.265  
103  103   6  0.966  0.083  -0.254  
104  104   7  0.961  0.066  -0.559  
105  105  11  0.872  0.174   0.968  
106  106   5  0.890  0.105   0.351  
107  107   7  0.925  0.112   0.470  
108  108   4  0.977  0.091   0.029  
109  109   7  0.943  0.112   0.439  
110  110   5  0.969  0.093   0.081  
111  111   8  0.936  0.086  -0.296  
112  112   6  0.953  0.081  -0.292  
113  113   9  0.918  0.135   0.075  
114  114   8  0.944  0.083  -0.320  
115  115   8  0.947  0.090  -0.195  
116  116   7  0.974  0.099   0.131  
117  117   8  0.958  0.103   0.149  
118  118   8  0.951  0.103   0.149  
119  119   8  0.948  0.100   0.075  
120  120   8  0.955  0.085  -0.326  
121  121   7  0.951  0.088  -0.112  
122  122   6  0.968  0.089  -0.138  
123  123  10  0.953  0.070  -0.485  
124  124  11  0.970  0.095  -0.346  
125  125   7  0.903  0.109   0.392  
126  126   8  0.944  0.087  -0.273  
127  127   4  0.931  0.103   0.264  
128  128   9  0.859  0.168   0.599  
129  129   7  0.733  0.195   1.014  
130  130   6  0.853  0.131   0.669  
131  131   8  0.931  0.137   1.039  
132  132   4  0.952  0.101   0.225  
133  133   4  0.964  0.087  -0.049  
134  134  12  0.969  0.086  -0.073  
135  135   6  0.970  0.075  -0.408  
136  136  11  0.922  0.105  -0.180  
137  137   4  0.960  0.083  -0.127  
138  138   7  0.961  0.092  -0.052  
139  139   9  0.929  0.145   0.261  
140  140   8  0.952  0.102   0.123  
141  141   9  0.957  0.092  -0.598  
142  142  11  0.886  0.152   0.602  
143  143   9  0.903  0.161   0.482  
144  144   8  0.885  0.114   0.437  
145  145   8  0.930  0.095  -0.060  
146  146   9  0.871  0.127  -0.004  
147  147   8  0.933  0.097  -0.008  
148  148   9  0.912  0.118  -0.137  
149  149   4  0.966  0.064  -0.498  
150  150   8  0.951  0.094  -0.086  
151  151   8  0.853  0.204   1.653  
152  152   7  0.885  0.142   1.253  
153  153   5  0.902  0.193       ?  
154  154   1  0.773  0.190       ?  
155  155   1  0.930  0.175       ?  
156  156   1  0.931  0.103       ?  
157  157   1  0.963  0.071       ?  
158  158   1  0.908  0.133       ?  
159  159   1  0.978  0.136       ?  
160  160   1  0.976  0.141       ?  
161  161   1  0.930  0.069       ?  
162  162   1  0.987  0.121       ?  
163  163   1  0.947  0.138       ?  
164  164   1  0.991  0.115       ?  
165  165   1  0.964  0.105       ?  
166  166   1  0.941  0.138       ?  
167  167   1  0.904  0.109       ?  
168  168   1  0.892  0.102       ?  
169  169   1  0.974  0.141       ?  
170  170   1  0.986  0.111       ?  
171  171   1  0.937  0.189       ?  
172  172   1  0.920  0.105       ?  
173  173   1  0.921  0.176       ?  
174  174   1  0.902  0.160       ?  
175  175   1  0.967  0.080       ?  
176  176   1  0.969  0.112       ?  
177  177   1  0.855  0.186       ?  
178  178   1  0.894  0.128       ?  
179  179   1  0.954  0.136       ?  
180  180   1  0.952  0.075       ?  
181  181   1  0.945  0.150       ?  
182  182   1  0.950  0.095       ?  
183  183   1  0.958  0.158       ?  
184  184   1  0.951  0.119       ?  
185  185   1  0.745  0.154       ?  
186  186   1  0.838  0.111       ?  
187  187   1  0.946  0.096       ?  
188  188   1  0.864  0.124       ?  
189  189   1  0.955  0.145       ?  
190  190   1  0.922  0.099       ?  
191  191   1  0.885  0.148       ?  
192  192   1  0.955  0.103       ?  
193  193   1  0.936  0.177       ?  
194  194   1  0.942  0.105       ?  
195  195   1  0.766  0.133       ?  
196  196   1  0.932  0.101       ?  
197  197   1  0.902  0.118       ?  
198  198   1  0.921  0.180       ?  
199  199   1  0.776  0.196       ?  
200  200   1  0.898  0.158       ?  
201  201   1  0.969  0.116       ?  
202  202   1  0.831  0.101       ?  
203  203   1  0.857  0.311       ?  
204  204   1  0.943  0.148       ?  
205  205   1  0.805  0.336       ?  
206  206   1  0.982  0.154       ?  
207  207   1  0.953  0.128       ?  
208  208   1  0.924  0.149       ?  
#
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          2.36                                                                  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  
##
