data_7H4D

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  7H4D
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    7H4D
_pdbx_vrpt_summary.PDB_deposition_date         2024-04-04
_pdbx_vrpt_summary.PDB_revision_number         1
_pdbx_vrpt_summary.PDB_revision_date           2024-04-24
_pdbx_vrpt_summary.report_creation_date        2024-04-18:17:26
_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      "Protease 2A"  
2  non-polymer  2-hydroxy-N-(2,4,6-trimethylphenyl)acetamide  
3  non-polymer  "ZINC ION"  
4  non-polymer  "DIMETHYL SULFOXIDE"  
5  non-polymer  "SULFATE 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  5  
G  6  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all   x-ray  
2  1.94  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  96.76  141614     ?     ?  
2  2  1  96.19    1023  1.94  1.94  
3  1  2  21.91  138981     ?     ?  
4  2  2  10.63    1007  1.94  1.94  
5  1  3  45.72  138945     ?     ?  
6  2  3  32.17    1007  1.94  1.94  
7  1  4   2.13  130704     ?     ?  
8  2  4   0.34    4310  1.92  1.96  
#
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  21.91  
2  4  2  A  1  1  A  10.63  
3  5  3  A  1  1  A  47.07  
4  6  3  A  1  1  A  34.66  
#
_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      0.81
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ       0.70
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ   1123
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ  1527
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  0.72
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       2.56
_pdbx_vrpt_summary_geometry.clashscore                     0.92
_pdbx_vrpt_summary_geometry.num_H_reduce                   1042
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 1123
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.70
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                1527
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.81
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.Babinet_b                 280.839
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            21.849
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         36.315
_pdbx_vrpt_summary_diffraction.I_over_sigma              1.22(1.94A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        11766
_pdbx_vrpt_summary_diffraction.Babinet_k                 0.874
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.140
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.501
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.336
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.883
_pdbx_vrpt_summary_diffraction.twin_fraction             -h,-k,l:0.057
_pdbx_vrpt_summary_diffraction.DCC_R                     0.31
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.32
_pdbx_vrpt_summary_diffraction.EDS_R                     0.31
_pdbx_vrpt_summary_diffraction.EDS_res_high              1.94
_pdbx_vrpt_summary_diffraction.EDS_res_low               47.75
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[32.295,40.270,38.514,0.000,-4.182,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.215
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 13.20% 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         5
_pdbx_vrpt_summary_diffraction.centric_outliers          0
_pdbx_vrpt_summary_diffraction.data_completeness         98.82
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      602
_pdbx_vrpt_summary_diffraction.percent_free_reflections  5.12
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       1.94
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        47.75
_pdbx_vrpt_summary_diffraction.PDB_R                     0.20
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.28
#
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
_pdbx_vrpt_model_instance.count_mogul_torsion_outliers
  1  1  1  A    7  SER    A    7  .  ?        ?     ?     ?  
  2  1  1  A    8  GLY    A    8  .  ?        ?     ?     ?  
  3  1  1  A    9  ALA    A    9  .  ?        ?     ?     ?  
  4  1  1  A   10  ILE    A   10  .  ?        ?     ?     ?  
  5  1  1  A   11  TYR    A   11  .  ?        ?     ?     ?  
  6  1  1  A   12  VAL    A   12  .  ?        ?     ?     ?  
  7  1  1  A   13  GLY    A   13  .  ?        ?     ?     ?  
  8  1  1  A   14  ASN    A   14  .  ?        ?     ?     ?  
  9  1  1  A   15  TYR    A   15  .  ?        ?     ?     ?  
 10  1  1  A   16  ARG    A   16  .  ?        ?     ?     ?  
 11  1  1  A   17  VAL    A   17  .  ?        ?     ?     ?  
 12  1  1  A   18  VAL    A   18  .  ?        ?     ?     ?  
 13  1  1  A   19  ASN    A   19  .  ?        ?     ?     ?  
 14  1  1  A   20  ARG    A   20  .  ?        ?     ?     ?  
 15  1  1  A   21  HIS    A   21  .  ?        ?     ?     ?  
 16  1  1  A   22  LEU    A   22  .  ?        ?     ?     ?  
 17  1  1  A   23  ALA    A   23  .  ?        ?     ?     ?  
 18  1  1  A   24  THR    A   24  .  ?        ?     ?     ?  
 19  1  1  A   25  HIS    A   25  .  ?        ?     ?     ?  
 20  1  1  A   26  ASN    A   26  .  ?        ?     ?     ?  
 21  1  1  A   27  ASP    A   27  .  ?        ?     ?     ?  
 22  1  1  A   28  TRP    A   28  .  ?        ?     ?     ?  
 23  1  1  A   29  ALA    A   29  .  ?        ?     ?     ?  
 24  1  1  A   30  ASN    A   30  .  ?        ?     ?     ?  
 25  1  1  A   31  LEU    A   31  .  ?        ?     ?     ?  
 26  1  1  A   32  VAL    A   32  .  ?        ?     ?     ?  
 27  1  1  A   33  TRP    A   33  .  ?        ?     ?     ?  
 28  1  1  A   34  GLU    A   34  .  ?        ?     ?     ?  
 29  1  1  A   35  ASP    A   35  .  ?        ?     ?     ?  
 30  1  1  A   36  SER    A   36  A  ?        ?     ?     ?  
 31  1  1  A   36  SER    A   36  B  ?        ?     ?     ?  
 32  1  1  A   37  SER    A   37  .  ?        ?     ?     ?  
 33  1  1  A   38  ARG    A   38  .  ?        ?     ?     ?  
 34  1  1  A   39  ASP    A   39  .  ?        ?     ?     ?  
 35  1  1  A   40  LEU    A   40  .  ?        ?     ?     ?  
 36  1  1  A   41  LEU    A   41  .  ?        ?     ?     ?  
 37  1  1  A   42  VAL    A   42  .  ?        ?     ?     ?  
 38  1  1  A   43  SER    A   43  .  ?        ?     ?     ?  
 39  1  1  A   44  SER    A   44  .  ?        ?     ?     ?  
 40  1  1  A   45  THR    A   45  .  ?        ?     ?     ?  
 41  1  1  A   46  THR    A   46  .  ?        ?     ?     ?  
 42  1  1  A   47  ALA    A   47  .  ?        ?     ?     ?  
 43  1  1  A   48  GLN    A   48  .  ?        ?     ?     ?  
 44  1  1  A   49  GLY    A   49  .  ?        ?     ?     ?  
 45  1  1  A   50  CYS    A   50  .  ?        ?     ?     ?  
 46  1  1  A   51  ASP    A   51  .  ?        ?     ?     ?  
 47  1  1  A   52  THR    A   52  .  ?        ?     ?     ?  
 48  1  1  A   53  ILE    A   53  .  ?        ?     ?     ?  
 49  1  1  A   54  ALA    A   54  .  ?        ?     ?     ?  
 50  1  1  A   55  ARG    A   55  .  ?        ?     ?     ?  
 51  1  1  A   56  CYS    A   56  .  ?        ?     ?     ?  
 52  1  1  A   57  ASP    A   57  A  ?        ?     ?     ?  
 53  1  1  A   57  ASP    A   57  B  ?        ?     ?     ?  
 54  1  1  A   58  CYS    A   58  .  ?        ?     ?     ?  
 55  1  1  A   59  GLN    A   59  .  ?        ?     ?     ?  
 56  1  1  A   60  THR    A   60  .  ?        ?     ?     ?  
 57  1  1  A   61  GLY    A   61  .  ?        ?     ?     ?  
 58  1  1  A   62  VAL    A   62  .  ?        ?     ?     ?  
 59  1  1  A   63  TYR    A   63  .  ?        1     ?     ?  
 60  1  1  A   64  TYR    A   64  .  ?        ?     ?     ?  
 61  1  1  A   65  CYS    A   65  .  ?        ?     ?     ?  
 62  1  1  A   66  SER    A   66  .  ?        ?     ?     ?  
 63  1  1  A   67  SER    A   67  .  ?        ?     ?     ?  
 64  1  1  A   68  ARG    A   68  .  ?        ?     ?     ?  
 65  1  1  A   69  ARG    A   69  .  ?        ?     ?     ?  
 66  1  1  A   70  LYS    A   70  .  ?        ?     ?     ?  
 67  1  1  A   71  HIS    A   71  .  ?        ?     ?     ?  
 68  1  1  A   72  TYR    A   72  .  ?        ?     ?     ?  
 69  1  1  A   73  PRO    A   73  .  ?        ?     ?     ?  
 70  1  1  A   74  VAL    A   74  .  ?        ?     ?     ?  
 71  1  1  A   75  SER    A   75  .  ?        ?     ?     ?  
 72  1  1  A   76  PHE    A   76  .  ?        ?     ?     ?  
 73  1  1  A   77  SER    A   77  .  ?        ?     ?     ?  
 74  1  1  A   78  LYS    A   78  .  ?        ?     ?     ?  
 75  1  1  A   79  PRO    A   79  .  ?        ?     ?     ?  
 76  1  1  A   80  SER    A   80  .  ?        ?     ?     ?  
 77  1  1  A   81  LEU    A   81  .  ?        ?     ?     ?  
 78  1  1  A   82  ILE    A   82  .  ?        ?     ?     ?  
 79  1  1  A   83  PHE    A   83  .  ?        ?     ?     ?  
 80  1  1  A   84  VAL    A   84  .  ?        ?     ?     ?  
 81  1  1  A   85  GLU    A   85  .  ?        ?     ?     ?  
 82  1  1  A   86  ALA    A   86  .  ?        ?     ?     ?  
 83  1  1  A   87  SER    A   87  .  ?        ?     ?     ?  
 84  1  1  A   88  GLU    A   88  .  ?        ?     ?     ?  
 85  1  1  A   89  TYR    A   89  .  ?        ?     ?     ?  
 86  1  1  A   90  TYR    A   90  .  ?        ?     ?     ?  
 87  1  1  A   91  PRO    A   91  .  ?        ?     ?     ?  
 88  1  1  A   92  ALA    A   92  .  ?        ?     ?     ?  
 89  1  1  A   93  ARG    A   93  .  ?        ?     ?     ?  
 90  1  1  A   94  TYR    A   94  .  ?        ?     ?     ?  
 91  1  1  A   95  GLN    A   95  .  ?        ?     ?     ?  
 92  1  1  A   96  SER    A   96  .  ?        ?     ?     ?  
 93  1  1  A   97  HIS    A   97  .  ?        ?     ?     ?  
 94  1  1  A   98  LEU    A   98  .  ?        ?     ?     ?  
 95  1  1  A   99  MET    A   99  .  ?        ?     ?     ?  
 96  1  1  A  100  LEU    A  100  .  ?        ?     ?     ?  
 97  1  1  A  101  ALA    A  101  .  ?        ?     ?     ?  
 98  1  1  A  102  VAL    A  102  .  ?        ?     ?     ?  
 99  1  1  A  103  GLY    A  103  .  ?        ?     ?     ?  
100  1  1  A  104  HIS    A  104  .  ?        ?     ?     ?  
101  1  1  A  105  SER    A  105  .  ?        ?     ?     ?  
102  1  1  A  106  GLU    A  106  .  ?        ?     ?     ?  
103  1  1  A  107  PRO    A  107  .  ?        ?     ?     ?  
104  1  1  A  108  GLY    A  108  .  ?        ?     ?     ?  
105  1  1  A  109  ASP    A  109  .  ?        ?     ?     ?  
106  1  1  A  110  CYS    A  110  .  ?        ?     ?     ?  
107  1  1  A  111  GLY    A  111  .  ?        ?     ?     ?  
108  1  1  A  112  GLY    A  112  .  ?        ?     ?     ?  
109  1  1  A  113  ILE    A  113  .  ?        1     ?     ?  
110  1  1  A  114  LEU    A  114  .  ?        ?     ?     ?  
111  1  1  A  115  ARG    A  115  .  ?        ?     ?     ?  
112  1  1  A  116  CYS    A  116  .  ?        ?     ?     ?  
113  1  1  A  117  GLN    A  117  .  ?        ?     ?     ?  
114  1  1  A  118  HIS    A  118  .  ?        ?     ?     ?  
115  1  1  A  119  GLY    A  119  .  ?        ?     ?     ?  
116  1  1  A  120  VAL    A  120  .  ?        ?     ?     ?  
117  1  1  A  121  VAL    A  121  .  ?        1     ?     ?  
118  1  1  A  122  GLY    A  122  .  ?        ?     ?     ?  
119  1  1  A  123  ILE    A  123  .  ?        ?     ?     ?  
120  1  1  A  124  VAL    A  124  .  ?        ?     ?     ?  
121  1  1  A  125  SER    A  125  .  ?        ?     ?     ?  
122  1  1  A  126  THR    A  126  .  ?        ?     ?     ?  
123  1  1  A  127  GLY    A  127  .  ?        ?     ?     ?  
124  1  1  A  128  GLY    A  128  .  ?        ?     ?     ?  
125  1  1  A  129  ASN    A  129  .  ?        ?     ?     ?  
126  1  1  A  130  GLY    A  130  .  ?        ?     ?     ?  
127  1  1  A  131  LEU    A  131  .  ?        ?     ?     ?  
128  1  1  A  132  VAL    A  132  .  ?        ?     ?     ?  
129  1  1  A  133  GLY    A  133  .  ?        ?     ?     ?  
130  1  1  A  134  PHE    A  134  .  ?        ?     ?     ?  
131  1  1  A  135  ALA    A  135  .  ?        ?     ?     ?  
132  1  1  A  136  ASP    A  136  .  ?        ?     ?     ?  
133  1  1  A  137  VAL    A  137  .  ?        ?     ?     ?  
134  1  1  A  138  ARG    A  138  .  ?        1     ?     ?  
135  1  1  A  139  ASP    A  139  .  ?        ?     ?     ?  
136  1  1  A  140  LEU    A  140  .  ?        ?     ?     ?  
137  1  1  A  141  LEU    A  141  .  ?        ?     ?     ?  
138  1  1  A  142  TRP    A  142  .  ?        ?     ?     ?  
139  1  1  A  143  LEU    A  143  .  ?        ?     ?     ?  
140  1  1  A  144  ASP    A  144  .  ?        ?     ?     ?  
141  1  1  A  145  GLU    A  145  .  ?        ?     ?     ?  
142  1  1  A  146  GLU    A  146  .  ?        ?     ?     ?  
143  1  2  B    .  A1ANB  A  201  .  ?        ?     ?     3  
144  1  3  C    .  ZN     A  202  .  ?        ?     ?     ?  
145  1  4  D    .  DMS    A  203  .  ?        ?     ?     ?  
146  1  4  E    .  DMS    A  204  .  ?        ?     ?     ?  
147  1  5  F    .  SO4    A  205  .  ?        ?     2     ?  
148  1  6  G    .  HOH    A  301  .  ?        ?     ?     ?  
149  1  6  G    .  HOH    A  302  .  ?        ?     ?     ?  
150  1  6  G    .  HOH    A  303  .  ?        ?     ?     ?  
151  1  6  G    .  HOH    A  304  .  ?        ?     ?     ?  
152  1  6  G    .  HOH    A  305  .  ?        ?     ?     ?  
153  1  6  G    .  HOH    A  306  .  ?        ?     ?     ?  
154  1  6  G    .  HOH    A  307  .  ?        ?     ?     ?  
155  1  6  G    .  HOH    A  308  .  ?        ?     ?     ?  
156  1  6  G    .  HOH    A  309  .  ?        ?     ?     ?  
157  1  6  G    .  HOH    A  310  .  ?        ?     ?     ?  
158  1  6  G    .  HOH    A  311  .  ?        ?     ?     ?  
159  1  6  G    .  HOH    A  312  .  ?        ?     ?     ?  
160  1  6  G    .  HOH    A  313  .  ?        ?     ?     ?  
161  1  6  G    .  HOH    A  314  .  ?        ?     ?     ?  
162  1  6  G    .  HOH    A  315  .  ?        ?     ?     ?  
163  1  6  G    .  HOH    A  316  .  ?        ?     ?     ?  
164  1  6  G    .  HOH    A  317  .  ?        ?     ?     ?  
165  1  6  G    .  HOH    A  318  .  ?        ?     ?     ?  
166  1  6  G    .  HOH    A  319  .  ?        ?     ?     ?  
167  1  6  G    .  HOH    A  320  .  ?        ?     ?     ?  
168  1  6  G    .  HOH    A  321  .  ?        ?     ?     ?  
169  1  6  G    .  HOH    A  322  .  ?        ?     ?     ?  
170  1  6  G    .  HOH    A  323  .  ?        ?     ?     ?  
171  1  6  G    .  HOH    A  324  .  ?        ?     ?     ?  
172  1  6  G    .  HOH    A  325  .  ?        ?     ?     ?  
173  1  6  G    .  HOH    A  326  .  ?        ?     ?     ?  
174  1  6  G    .  HOH    A  327  .  ?        ?     ?     ?  
175  1  6  G    .  HOH    A  328  .  ?        ?     ?     ?  
176  1  6  G    .  HOH    A  329  .  ?        ?     ?     ?  
177  1  6  G    .  HOH    A  330  .  ?        ?     ?     ?  
178  1  6  G    .  HOH    A  331  .  ?        ?     ?     ?  
179  1  6  G    .  HOH    A  332  .  ?        ?     ?     ?  
180  1  6  G    .  HOH    A  333  .  ?        ?     ?     ?  
181  1  6  G    .  HOH    A  334  .  ?        ?     ?     ?  
182  1  6  G    .  HOH    A  335  .  ?        ?     ?     ?  
183  1  6  G    .  HOH    A  336  .  ?        ?     ?     ?  
184  1  6  G    .  HOH    A  337  .  ?        ?     ?     ?  
185  1  6  G    .  HOH    A  338  .  ?        ?     ?     ?  
186  1  6  G    .  HOH    A  339  .  ?        ?     ?     ?  
187  1  6  G    .  HOH    A  340  .  ?        ?     ?     ?  
188  1  6  G    .  HOH    A  341  .  ?        ?     ?     ?  
189  1  6  G    .  HOH    A  342  .  ?        ?     ?     ?  
190  1  6  G    .  HOH    A  343  .  ?        ?     ?     ?  
191  1  6  G    .  HOH    A  344  .  ?        ?     ?     ?  
192  1  6  G    .  HOH    A  345  .  ?        ?     ?     ?  
193  1  6  G    .  HOH    A  346  .  ?        ?     ?     ?  
194  1  6  G    .  HOH    A  347  .  ?        ?     ?     ?  
195  1  6  G    .  HOH    A  348  .  ?        ?     ?     ?  
196  1  6  G    .  HOH    A  349  .  ?        ?     ?     ?  
197  1  6  G    .  HOH    A  350  .  ?        ?     ?     ?  
198  1  6  G    .  HOH    A  351  .  ?        ?     ?     ?  
199  1  6  G    .  HOH    A  352  .  ?        ?     ?     ?  
200  1  6  G    .  HOH    A  353  .  ?        ?     ?     ?  
201  1  6  G    .  HOH    A  354  .  ?        ?     ?     ?  
202  1  6  G    .  HOH    A  355  .  ?        ?     ?     ?  
203  1  6  G    .  HOH    A  356  .  ?        ?     ?     ?  
204  1  6  G    .  HOH    A  357  .  ?        ?     ?     ?  
205  1  6  G    .  HOH    A  358  .  ?        ?     ?     ?  
206  1  6  G    .  HOH    A  359  .  ?        ?     ?     ?  
207  1  6  G    .  HOH    A  360  .  ?        ?     ?     ?  
208  1  6  G    .  HOH    A  361  .  ?        ?     ?     ?  
209  1  6  G    .  HOH    A  362  .  ?        ?     ?     ?  
210  1  6  G    .  HOH    A  363  .  ?        ?     ?     ?  
211  1  6  G    .  HOH    A  364  .  ?        ?     ?     ?  
212  1  6  G    .  HOH    A  365  .  ?        ?     ?     ?  
213  1  6  G    .  HOH    A  366  .  ?        ?     ?     ?  
214  1  6  G    .  HOH    A  367  .  ?        ?     ?     ?  
215  1  6  G    .  HOH    A  368  .  ?        ?     ?     ?  
216  1  6  G    .  HOH    A  369  .  ?        ?     ?     ?  
217  1  6  G    .  HOH    A  370  .  ?        ?     ?     ?  
218  1  6  G    .  HOH    A  371  .  ?        ?     ?     ?  
219  1  6  G    .  HOH    A  372  .  ?        ?     ?     ?  
220  1  6  G    .  HOH    A  373  .  ?        ?     ?     ?  
221  1  6  G    .  HOH    A  374  .  ?        ?     ?     ?  
222  1  6  G    .  HOH    A  375  .  ?        ?     ?     ?  
223  1  6  G    .  HOH    A  376  .  ?        ?     ?     ?  
224  1  6  G    .  HOH    A  377  .  ?        ?     ?     ?  
225  1  6  G    .  HOH    A  378  .  ?        ?     ?     ?  
226  1  6  G    .  HOH    A  379  .  ?        ?     ?     ?  
227  1  6  G    .  HOH    A  380  .  ?        ?     ?     ?  
228  1  6  G    .  HOH    A  381  .  ?        ?     ?     ?  
229  1  6  G    .  HOH    A  382  .  ?        ?     ?     ?  
230  1  6  G    .  HOH    A  383  .  ?        ?     ?     ?  
231  1  6  G    .  HOH    A  384  .  ?        ?     ?     ?  
232  1  6  G    .  HOH    A  385  .  ?        ?     ?     ?  
233  1  6  G    .  HOH    A  386  .  ?        ?     ?     ?  
234  1  6  G    .  HOH    A  387  .  ?        ?     ?     ?  
235  1  6  G    .  HOH    A  388  .  ?        ?     ?     ?  
236  1  6  G    .  HOH    A  389  .  ?        ?     ?     ?  
237  1  6  G    .  HOH    A  390  .  ?        ?     ?     ?  
238  1  6  G    .  HOH    A  391  .  ?        ?     ?     ?  
239  1  6  G    .  HOH    A  392  .  ?        ?     ?     ?  
240  1  6  G    .  HOH    A  393  .  ?        ?     ?     ?  
241  1  6  G    .  HOH    A  394  .  ?        ?     ?     ?  
242  1  6  G    .  HOH    A  395  .  ?        ?     ?     ?  
243  1  6  G    .  HOH    A  396  .  ?        ?     ?     ?  
244  1  6  G    .  HOH    A  397  .  ?        ?     ?     ?  
245  1  6  G    .  HOH    A  398  .  ?        ?     ?     ?  
246  1  6  G    .  HOH    A  399  .  ?        ?     ?     ?  
247  1  6  G    .  HOH    A  400  .  ?        ?     ?     ?  
248  1  6  G    .  HOH    A  401  .  ?        ?     ?     ?  
249  1  6  G    .  HOH    A  402  .  ?        ?     ?     ?  
250  1  6  G    .  HOH    A  403  .  ?        ?     ?     ?  
251  1  6  G    .  HOH    A  404  .  ?        ?     ?     ?  
252  1  6  G    .  HOH    A  405  .  ?        ?     ?     ?  
253  1  6  G    .  HOH    A  406  .  ?        ?     ?     ?  
254  1  6  G    .  HOH    A  407  .  ?        ?     ?     ?  
255  1  6  G    .  HOH    A  408  .  ?        ?     ?     ?  
#
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  p             ?       ?  ?           ?     4   6  1.46   8  0.47  molprobity  
  2    2  ?         143.6   149.9  Favored     ?     3   4  0.86   5  1.58  molprobity  
  3    3  ?        -136.6   150.2  Favored     ?     5   5  0.77   7  0.56  molprobity  
  4    4  mt        -95.8   133.3  Favored     ?    11   8  0.79  11  0.76  molprobity  
  5    5  m-85     -116.2   100.8  Favored     ?     9  13  0.48  18  0.98  molprobity  
  6    6  p        -127.5   123.0  Favored     ?     9   7  0.86  10  0.69  molprobity  
  7    7  ?          55.1  -133.7  Favored     ?     3   4  0.81   5  0.59  molprobity  
  8    8  m-80     -101.4    41.0  Allowed     ?     6   8  0.54  11  0.99  molprobity  
  9    9  m-85     -125.0   146.4  Favored     ?     9  13  0.59  18  0.64  molprobity  
 10   10  ttt85    -129.6   117.7  Favored     ?    13  11  0.35  14  1.00  molprobity  
 11   11  t        -102.6   120.8  Favored     ?     9   7  0.81  10  0.89  molprobity  
 12   12  m        -131.5   163.1  Favored     ?     9   7  0.70  10  0.82  molprobity  
 13   13  m120      -55.6   122.3  Favored     ?     6   8  0.53  11  0.72  molprobity  
 14   14  ttt-85    -45.3   -45.3  Favored     ?    13  11  0.82  14  0.94  molprobity  
 15   15  p-80      -65.1   -15.0  Favored     ?     7  11  0.56  15  0.91  molprobity  
 16   16  mt       -114.0    11.5  Favored     ?    11   8  0.71  11  0.58  molprobity  
 17   17  ?         -70.4   139.8  Favored     ?     5   5  0.75   7  0.90  molprobity  
 18   18  p         -89.7   163.9  Favored     ?     7   7  0.70  10  0.74  molprobity  
 19   19  OUTLIER   -47.3   -49.1  Favored     1     7  11  0.63  15  0.70  molprobity  
 20   20  t30       -60.6   -38.8  Favored     ?     6   8  0.62  11  0.72  molprobity  
 21   21  m-20      -59.2   -52.3  Favored     ?     4   8  0.68  11  0.78  molprobity  
 22   22  m95       -64.3   -46.6  Favored     ?    10  16  0.53  23  0.50  molprobity  
 23   23  ?         -53.4   -40.6  Favored     ?     5   5  0.78   7  0.82  molprobity  
 24   24  m-80     -110.7    33.7  Favored     ?     6   8  0.90  11  1.15  molprobity  
 25   25  tp        -61.4   136.3  Favored     ?    11   8  0.43  11  0.66  molprobity  
 26   26  t        -103.7   -46.3  Favored     ?     9   7  0.59  10  0.70  molprobity  
 27   27  t90      -167.2   137.1  Favored     ?    10  16  0.32  23  0.74  molprobity  
 28   28  pp20?    -145.1   152.3  Favored     ?     6   9  0.80  12  0.78  molprobity  
 29   29  t0       -146.0   103.2  Favored     ?     4   8  0.74  11  1.74  molprobity  
 30   30  t         -54.9   -40.2  Favored     ?     5   6  0.88   8  0.75  molprobity  
 31   31  t         -54.9   -40.2  Favored     ?     5   6  0.88   8  0.75  molprobity  
 32   32  p         -67.3   -13.6  Favored     ?     4   6  0.99   8  1.13  molprobity  
 33   33  mtp180   -108.3   -15.3  Favored     ?    13  11  0.69  14  0.80  molprobity  
 34   34  t70        62.1    36.3  Favored     ?     4   8  0.65  11  0.91  molprobity  
 35   35  mt       -117.4   144.6  Favored     ?    11   8  0.60  11  0.31  molprobity  
 36   36  tt       -143.7   138.1  Favored     ?    11   8  0.54  11  0.61  molprobity  
 37   37  t        -118.3   123.7  Favored     ?     9   7  0.62  10  0.85  molprobity  
 38   38  p        -108.9   153.9  Favored     ?     5   6  0.96   8  1.00  molprobity  
 39   39  p         -76.8   142.2  Favored     ?     5   6  0.69   8  0.54  molprobity  
 40   40  p        -119.0   152.9  Favored     ?     7   7  0.63  10  0.81  molprobity  
 41   41  p         -73.0   -46.3  Favored     ?     7   7  0.69  10  0.77  molprobity  
 42   42  ?         -97.1   168.9  Favored     ?     5   5  0.76   7  0.77  molprobity  
 43   43  mt-30     -86.2   142.6  Favored     1     8   9  0.58  12  0.53  molprobity  
 44   44  ?         -91.6   168.1  Favored     ?     3   4  0.91   5  1.01  molprobity  
 45   45  m        -124.9    -4.8  Favored     ?     5   6  0.70   8  0.77  molprobity  
 46   46  m-20      -76.8   133.1  Favored     ?     4   8  0.73  11  0.81  molprobity  
 47   47  m         -91.5   126.3  Favored     ?     7   7  0.66  10  0.57  molprobity  
 48   48  mm        -81.0   133.7  Favored     ?    11   8  0.67  11  0.63  molprobity  
 49   49  ?         -71.2   144.3  Favored     ?     5   5  0.63   7  1.25  molprobity  
 50   50  mmt180   -130.0    92.2  Favored     ?    13  11  0.77  14  1.17  molprobity  
 51   51  p        -175.1   172.6  Favored     ?     4   6  0.75   8  0.44  molprobity  
 52   52  p-10     -112.2    13.0  Favored     ?     4   8  0.64  11  0.67  molprobity  
 53   53  p-10     -112.2    13.0  Favored     ?     4   8  0.64  11  0.67  molprobity  
 54   54  m         -51.0   140.4  Favored     ?     3   6  1.30   8  0.86  molprobity  
 55   55  mt-30    -123.4    12.9  Favored     ?     8   9  0.49  12  0.72  molprobity  
 56   56  p        -135.1   151.5  Favored     ?     7   7  1.04  10  1.22  molprobity  
 57   57  ?         177.1  -167.8  Favored     ?     3   4  0.65   5  1.81  molprobity  
 58   58  t        -135.7   131.6  Favored     ?     9   7  0.65  10  0.86  molprobity  
 59   59  p90      -119.7   157.4  Favored     ?     9  13  0.48  18  0.70  molprobity  
 60   60  t80       -95.3   128.2  Favored     ?     9  13  0.86  18  0.93  molprobity  
 61   61  t        -111.4   102.7  Favored     ?     5   6  0.42   8  1.20  molprobity  
 62   62  p         -62.6   -32.2  Favored     ?     5   6  0.89   8  0.85  molprobity  
 63   63  p         -67.6   -14.4  Favored     ?     5   6  0.85   8  0.67  molprobity  
 64   64  mmt-85   -123.7     1.7  Favored     ?    13  11  0.56  14  0.91  molprobity  
 65   65  mtt180     39.9    50.2  Favored     ?    13  11  0.58  14  0.73  molprobity  
 66   66  tttm     -144.2   141.9  Favored     ?    13   9  0.55  11  0.78  molprobity  
 67   67  m-70      -96.5   114.5  Favored     ?     7  11  0.52  15  0.72  molprobity  
 68   68  m-85     -105.0   125.1  Favored     ?     9  13  0.53  19  0.74  molprobity  
 69   69  Cg_endo   -70.0   140.4  Favored     ?     7   8  0.46  11  1.36  molprobity  
 70   70  m        -146.9   149.8  Favored     ?     9   7  1.09  10  1.12  molprobity  
 71   71  m         -84.4   145.6  Favored     ?     5   6  1.42   8  0.78  molprobity  
 72   72  p90      -142.9   151.0  Favored     ?     9  12  0.55  16  0.88  molprobity  
 73   73  p         -73.1   157.7  Favored     ?     5   6  0.65   8  0.79  molprobity  
 74   74  mttm      -65.9   148.1  Favored     ?    13   9  0.54  12  0.67  molprobity  
 75   75  Cg_exo    -54.0   136.0  Favored     ?     7   8  0.59  11  0.76  molprobity  
 76   76  p        -155.8   162.3  Favored     ?     5   6  0.92   8  0.84  molprobity  
 77   77  tp        -78.9   112.5  Favored     ?    11   8  0.66  11  0.77  molprobity  
 78   78  mt       -128.3   137.3  Favored     ?    11   8  0.68  11  0.58  molprobity  
 79   79  t80       -72.3   125.4  Favored     ?     9  12  0.55  16  0.64  molprobity  
 80   80  t        -120.2   122.6  Favored     ?     9   7  0.82  10  0.84  molprobity  
 81   81  mm-40     -56.8   159.3  Favored     ?     6   9  0.68  12  0.72  molprobity  
 82   82  ?         -54.8   148.2  Favored     ?     5   5  0.72   7  0.86  molprobity  
 83   83  p        -135.7  -174.3  Favored     ?     5   6  0.77   8  0.88  molprobity  
 84   84  tt0       -60.0   -30.1  Favored     ?     6   9  0.56  12  0.69  molprobity  
 85   85  m-85     -111.9   -27.6  Favored     ?     9  13  0.55  18  0.53  molprobity  
 86   86  m-85     -136.0   146.1  Favored     ?     9  13  0.55  19  0.52  molprobity  
 87   87  Cg_endo   -76.3   165.2  Favored     ?     7   8  0.34  11  0.75  molprobity  
 88   88  ?         -50.0   114.0  Allowed     ?     5   5  0.76   7  0.96  molprobity  
 89   89  OUTLIER  -148.1   173.9  Favored     ?    13  11  0.53  14  0.76  molprobity  
 90   90  m-85      -98.4   105.5  Favored     ?     9  13  0.55  18  0.44  molprobity  
 91   91  tt0       -82.8   125.6  Favored     ?     8   9  0.52  12  0.67  molprobity  
 92   92  p         -91.2   162.8  Favored     ?     5   6  0.74   8  0.76  molprobity  
 93   93  m-70       54.5    38.9  Favored     ?     7  11  0.61  15  0.54  molprobity  
 94   94  tp       -109.2   138.1  Favored     ?    11   8  0.91  11  0.92  molprobity  
 95   95  mtm      -115.0   134.3  Favored     ?     9   8  0.92  10  1.19  molprobity  
 96   96  mt       -105.4   137.4  Favored     ?    11   8  0.72  11  0.59  molprobity  
 97   97  ?        -129.7   156.1  Favored     ?     5   5  0.63   7  1.26  molprobity  
 98   98  t         -70.2   112.4  Favored     ?     9   7  0.85  10  0.74  molprobity  
 99   99  ?         178.4   165.8  Favored     ?     3   4  0.74   5  1.17  molprobity  
100  100  t60       -78.0   139.5  Favored     ?     7  11  0.52  15  0.67  molprobity  
101  101  t        -156.4   123.6  Favored     ?     5   6  0.90   8  0.83  molprobity  
102  102  mt-10    -120.2   152.7  Favored     ?     6   9  0.67  13  0.52  molprobity  
103  103  Cg_exo    -39.0   -46.0  Favored     ?     7   8  0.37  11  0.63  molprobity  
104  104  ?         -70.6    -6.1  Favored     ?     3   4  0.85   5  0.99  molprobity  
105  105  m-20      -80.7   -10.1  Favored     ?     4   8  0.66  11  0.66  molprobity  
106  106  m         -56.7   133.1  Favored     ?     5   6  0.79   8  1.11  molprobity  
107  107  ?          99.5   -15.6  Favored     ?     3   4  0.74   5  1.27  molprobity  
108  108  ?         -62.7   133.7  Favored     ?     3   4  1.80   5  1.14  molprobity  
109  109  mt        -78.8   139.8  Favored     ?    11   8  0.44  11  1.11  molprobity  
110  110  tp       -103.6   125.4  Favored     ?    11   8  0.50  11  0.71  molprobity  
111  111  OUTLIER  -132.6   137.5  Favored     ?    13  11  0.51  14  0.86  molprobity  
112  112  p        -107.6  -171.9  Allowed     ?     4   6  0.64   8  1.04  molprobity  
113  113  pt20      -60.1   -17.3  Favored     ?     8   9  0.53  12  0.66  molprobity  
114  114  m80       -96.2   -14.4  Favored     ?     7  11  0.47  15  0.71  molprobity  
115  115  ?         127.8  -155.6  Favored     ?     3   4  0.87   5  0.89  molprobity  
116  116  t         -76.7   123.2  Favored     ?     9   7  0.72  10  0.55  molprobity  
117  117  t         -93.0   -35.9  Favored     ?     9   7  0.78  10  0.89  molprobity  
118  118  ?         175.2  -173.3  Favored     ?     3   4  0.72   5  0.95  molprobity  
119  119  pt       -130.6   144.6  Favored     ?    11   8  1.10  11  0.82  molprobity  
120  120  t         -50.7   132.8  Favored     ?     9   7  0.82  10  0.76  molprobity  
121  121  t        -137.7   -32.0  Allowed     ?     5   6  0.91   8  0.73  molprobity  
122  122  p        -135.2   168.9  Favored     ?     7   7  0.75  10  0.64  molprobity  
123  123  ?        -161.2  -159.5  Favored     ?     3   4  0.97   5  0.72  molprobity  
124  124  ?          85.4   152.8  Favored     ?     3   4  1.00   5  0.93  molprobity  
125  125  m-20       58.8    32.5  Favored     ?     6   8  0.68  11  0.58  molprobity  
126  126  ?          67.8    27.0  Favored     ?     3   4  1.10   5  0.54  molprobity  
127  127  mt       -136.7   128.9  Favored     ?    11   8  0.61  11  0.63  molprobity  
128  128  p        -101.8   135.4  Favored     ?     9   7  0.78  10  0.77  molprobity  
129  129  ?        -113.8   133.3  Favored     ?     3   4  0.59   5  0.97  molprobity  
130  130  m-85     -115.1   131.8  Favored     ?     9  12  0.66  16  0.72  molprobity  
131  131  ?         -73.7   113.7  Favored     ?     5   5  0.71   7  0.69  molprobity  
132  132  t0        -65.5   140.2  Favored     ?     4   8  0.64  11  0.45  molprobity  
133  133  m        -121.3     7.3  Favored     ?     9   7  0.71  10  0.76  molprobity  
134  134  mtm180    -78.1   -12.9  Favored     ?    13  11  0.72  14  0.70  molprobity  
135  135  p-10      -88.5   -13.8  Favored     ?     4   8  0.58  11  0.49  molprobity  
136  136  mt        -85.1    71.3  Favored     ?    11   8  0.76  11  0.77  molprobity  
137  137  mt        -58.5   -33.2  Favored     ?    11   8  0.51  11  0.59  molprobity  
138  138  p-90      -65.0   -18.2  Favored     ?    10  16  0.47  23  0.61  molprobity  
139  139  mt        -61.6   -24.5  Favored     ?    11   8  0.68  11  0.67  molprobity  
140  140  m-20      -96.8    45.0  Allowed     ?     4   8  0.68  11  0.88  molprobity  
141  141  pt-20     175.4  -147.0  OUTLIER     ?     6   9  0.65  12  0.78  molprobity  
142  142  tm-20         ?       ?  ?           ?     6   8  0.64   9  0.49  molprobity  
143  143  ?             ?       ?  ?           ?     ?  14  0.16  19  0.19  mogul       
144  145  ?             ?       ?  ?           ?     6   3  0.25   3  0.12  mogul       
145  146  ?             ?       ?  ?           ?     6   3  0.29   3  0.13  mogul       
146  147  ?             ?       ?  ?           ?     ?   4  0.38   6  0.06  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   59  HA    1  0.48  2.12  
2  109  O     1  0.48  2.12  
3  117  HG13  2  0.40  2.36  
4  134  NE    2  0.40  2.36  
#
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  147  O3  0  1_555  0.08  2.12  
2  147  O3  0  2_556  0.08  2.12  
#
loop_
_pdbx_vrpt_instance_mogul_torsion_outliers.ordinal
_pdbx_vrpt_instance_mogul_torsion_outliers.instance_id
_pdbx_vrpt_instance_mogul_torsion_outliers.atom_1
_pdbx_vrpt_instance_mogul_torsion_outliers.atom_2
_pdbx_vrpt_instance_mogul_torsion_outliers.atom_3
_pdbx_vrpt_instance_mogul_torsion_outliers.atom_4
_pdbx_vrpt_instance_mogul_torsion_outliers.obsval
_pdbx_vrpt_instance_mogul_torsion_outliers.mean
_pdbx_vrpt_instance_mogul_torsion_outliers.numobs
_pdbx_vrpt_instance_mogul_torsion_outliers.stdev
_pdbx_vrpt_instance_mogul_torsion_outliers.mindiff
_pdbx_vrpt_instance_mogul_torsion_outliers.local_density
1  143  O   C6  C7  O1   133.03  108.02    53  34.24  36.88  0.00  
2  143  C7  C6  N   C5  -142.57   31.69   215   2.62  20.23  0.00  
3  143  O   C6  N   C5    36.91   31.11  2233   4.58   0.72  0.36  
#
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          2.36.1                                                                Y  
4  dcc          '"2.27  (2023-04-10)"'                                                Y  
5  xtriage      1.13                                                                  Y  
6  percentiles  "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
