data_3ZF1

loop_
_pdbx_vrpt_database.id
_pdbx_vrpt_database.code
PDB   3ZF1       
PDBE  EBI-55054  
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    3ZF1
_pdbx_vrpt_summary.PDB_deposition_date         2012-12-10
_pdbx_vrpt_summary.PDB_revision_number         5
_pdbx_vrpt_summary.PDB_revision_date           2023-12-20
_pdbx_vrpt_summary.report_creation_date        2023-12-18:04:01
_pdbx_vrpt_summary.attempted_validation_steps  molprobity,validation-pack,xtriage,eds,mogul,buster-report,percentiles,writexml,writecif,writepdf
_pdbx_vrpt_summary.ligands_for_buster_report   Y
#
loop_
_pdbx_vrpt_entity.id
_pdbx_vrpt_entity.type
_pdbx_vrpt_entity.description
1  polymer      DUTPASE  
2  non-polymer  "2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE"  
3  non-polymer  "NICKEL (II) 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  4  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all  x-ray  
2  3.0  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   22.08  141614     ?     ?  
 2  2  1   58.65    2416  3.00  3.00  
 3  1  2  100.00  138981     ?     ?  
 4  2  2  100.00    2333  3.00  3.00  
 5  1  3   10.89  138945     ?     ?  
 6  2  3   38.78    2336  3.00  3.00  
 7  1  4   89.03  127900     ?     ?  
 8  2  4   72.11    1990  3.00  3.00  
 9  1  5   12.99  130704     ?     ?  
10  2  5   38.95    2092  3.00  3.00  
#
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   11.16  
4  6  3  A  1  1  A   39.17  
5  7  4  A  1  1  A   89.03  
6  8  4  A  1  1  A   72.11  
#
_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      0.50
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ       0.30
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ   1246
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ  1685
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  0.00
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       8.27
_pdbx_vrpt_summary_geometry.clashscore                     11.68
_pdbx_vrpt_summary_geometry.num_H_reduce                   1230
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 1246
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.30
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                1685
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.50
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            30.492
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         69.746
_pdbx_vrpt_summary_diffraction.I_over_sigma              3.87(3.01A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        4597
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.300
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.469
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.302
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.923
_pdbx_vrpt_summary_diffraction.twin_fraction             l,-k,h:0.068
_pdbx_vrpt_summary_diffraction.DCC_R                     0.23
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.28
_pdbx_vrpt_summary_diffraction.EDS_R                     0.23
_pdbx_vrpt_summary_diffraction.EDS_res_high              3.00
_pdbx_vrpt_summary_diffraction.EDS_res_low               50.35
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[69.746,69.746,69.746,0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.000
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 4.32% of the height of the origin peak. No significant pseudotranslation is detected."
_pdbx_vrpt_summary_diffraction.B_factor_type             FULL
_pdbx_vrpt_summary_diffraction.acentric_outliers         0
_pdbx_vrpt_summary_diffraction.centric_outliers          0
_pdbx_vrpt_summary_diffraction.data_completeness         99.52
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      503
_pdbx_vrpt_summary_diffraction.percent_free_reflections  10.94
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     0.65
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       3.00
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        50.35
_pdbx_vrpt_summary_diffraction.PDB_R                     0.24
_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_mogul_bond_outliers
_pdbx_vrpt_model_instance.count_mogul_angle_outliers
_pdbx_vrpt_model_instance.count_mogul_torsion_outliers
  1  1  1  A   36  THR  A     2  .  ?        3     ?     ?     ?  
  2  1  1  A   37  ASN  A     3  .  ?        4     ?     ?     ?  
  3  1  1  A   38  THR  A     4  .  ?        ?     ?     ?     ?  
  4  1  1  A   39  LEU  A     5  .  ?        ?     ?     ?     ?  
  5  1  1  A   40  GLN  A     6  .  ?        ?     ?     ?     ?  
  6  1  1  A   41  VAL  A     7  .  ?        ?     ?     ?     ?  
  7  1  1  A   42  LYS  A     8  .  ?        ?     ?     ?     ?  
  8  1  1  A   43  LEU  A     9  .  ?        ?     ?     ?     ?  
  9  1  1  A   44  LEU  A    10  .  ?        ?     ?     ?     ?  
 10  1  1  A   45  SER  A    11  .  ?        ?     ?     ?     ?  
 11  1  1  A   46  LYS  A    12  .  ?        1     ?     ?     ?  
 12  1  1  A   47  ASN  A    13  .  ?        ?     ?     ?     ?  
 13  1  1  A   48  ALA  A    14  .  ?        ?     ?     ?     ?  
 14  1  1  A   49  ARG  A    15  .  ?        ?     ?     ?     ?  
 15  1  1  A   50  MET  A    16  .  ?        ?     ?     ?     ?  
 16  1  1  A   51  PRO  A    17  .  ?        ?     ?     ?     ?  
 17  1  1  A   52  GLU  A    18  .  ?        ?     ?     ?     ?  
 18  1  1  A   53  ARG  A    19  .  ?        ?     ?     ?     ?  
 19  1  1  A   54  ASN  A    20  .  ?        ?     ?     ?     ?  
 20  1  1  A   55  HIS  A    21  .  ?        ?     ?     ?     ?  
 21  1  1  A   56  LYS  A    22  .  ?        ?     ?     ?     ?  
 22  1  1  A   57  THR  A    23  .  ?        ?     ?     ?     ?  
 23  1  1  A   58  ASP  A    24  .  ?        ?     ?     ?     ?  
 24  1  1  A   59  ALA  A    25  .  ?        ?     ?     ?     ?  
 25  1  1  A   60  GLY  A    26  .  ?        ?     ?     ?     ?  
 26  1  1  A   61  TYR  A    27  .  ?        ?     ?     ?     ?  
 27  1  1  A   62  ASP  A    28  .  ?        ?     ?     ?     ?  
 28  1  1  A   63  ILE  A    29  .  ?        ?     ?     ?     ?  
 29  1  1  A   64  PHE  A    30  .  ?        ?     ?     ?     ?  
 30  1  1  A   65  SER  A    31  .  ?        ?     ?     ?     ?  
 31  1  1  A   66  ALA  A    32  .  ?        ?     ?     ?     ?  
 32  1  1  A   67  GLU  A    33  .  ?        ?     ?     ?     ?  
 33  1  1  A   68  THR  A    34  .  ?        ?     ?     ?     ?  
 34  1  1  A   69  VAL  A    35  .  ?        1     ?     ?     ?  
 35  1  1  A   70  VAL  A    36  .  ?        ?     ?     ?     ?  
 36  1  1  A   71  LEU  A    37  .  ?        ?     ?     ?     ?  
 37  1  1  A   72  GLU  A    38  .  ?        ?     ?     ?     ?  
 38  1  1  A   73  PRO  A    39  .  ?        ?     ?     ?     ?  
 39  1  1  A   74  GLN  A    40  .  ?        1     ?     ?     ?  
 40  1  1  A   75  GLU  A    41  .  ?        ?     ?     ?     ?  
 41  1  1  A   76  LYS  A    42  .  ?        ?     ?     ?     ?  
 42  1  1  A   77  ALA  A    43  .  ?        ?     ?     ?     ?  
 43  1  1  A   78  VAL  A    44  .  ?        ?     ?     ?     ?  
 44  1  1  A   79  ILE  A    45  .  ?        1     ?     ?     ?  
 45  1  1  A   80  LYS  A    46  .  ?        ?     ?     ?     ?  
 46  1  1  A   81  THR  A    47  .  ?        1     ?     ?     ?  
 47  1  1  A   82  ASP  A    48  .  ?        1     ?     ?     ?  
 48  1  1  A   83  VAL  A    49  .  ?        ?     ?     ?     ?  
 49  1  1  A   84  ALA  A    50  .  ?        ?     ?     ?     ?  
 50  1  1  A   85  VAL  A    51  .  ?        ?     ?     ?     ?  
 51  1  1  A   86  SER  A    52  .  ?        ?     ?     ?     ?  
 52  1  1  A   87  ILE  A    53  .  ?        ?     ?     ?     ?  
 53  1  1  A   88  PRO  A    54  .  ?        ?     ?     ?     ?  
 54  1  1  A   89  GLU  A    55  .  ?        ?     ?     ?     ?  
 55  1  1  A   90  GLY  A    56  .  ?        ?     ?     ?     ?  
 56  1  1  A   91  TYR  A    57  .  ?        ?     ?     ?     ?  
 57  1  1  A   92  VAL  A    58  .  ?        ?     ?     ?     ?  
 58  1  1  A   93  GLY  A    59  .  ?        ?     ?     ?     ?  
 59  1  1  A   94  LEU  A    60  .  ?        ?     ?     ?     ?  
 60  1  1  A   95  LEU  A    61  .  ?        ?     ?     ?     ?  
 61  1  1  A   96  THR  A    62  .  ?        ?     ?     ?     ?  
 62  1  1  A   97  SER  A    63  .  ?        ?     ?     ?     ?  
 63  1  1  A   98  ARG  A    64  .  ?        ?     ?     ?     ?  
 64  1  1  A   99  SER  A    65  .  ?        ?     ?     ?     ?  
 65  1  1  A  100  GLY  A    66  .  ?        ?     ?     ?     ?  
 66  1  1  A  101  VAL  A    67  .  ?        2     ?     ?     ?  
 67  1  1  A  102  SER  A    68  .  ?        ?     ?     ?     ?  
 68  1  1  A  103  SER  A    69  .  ?        ?     ?     ?     ?  
 69  1  1  A  104  LYS  A    70  .  ?        ?     ?     ?     ?  
 70  1  1  A  105  THR  A    71  .  ?        ?     ?     ?     ?  
 71  1  1  A  106  HIS  A    72  .  ?        ?     ?     ?     ?  
 72  1  1  A  107  LEU  A    73  .  ?        ?     ?     ?     ?  
 73  1  1  A  108  VAL  A    74  .  ?        ?     ?     ?     ?  
 74  1  1  A  109  ILE  A    75  .  ?        ?     ?     ?     ?  
 75  1  1  A  110  GLU  A    76  .  ?        ?     ?     ?     ?  
 76  1  1  A  111  THR  A    77  .  ?        ?     ?     ?     ?  
 77  1  1  A  112  GLY  A    78  .  ?        1     ?     ?     ?  
 78  1  1  A  113  LYS  A    79  .  ?        1     ?     ?     ?  
 79  1  1  A  114  ILE  A    80  .  ?        ?     ?     ?     ?  
 80  1  1  A  115  ASN  A    81  .  ?        1     ?     ?     ?  
 81  1  1  A  116  ALA  A    82  .  ?        ?     ?     ?     ?  
 82  1  1  A  117  GLY  A    83  .  ?        ?     ?     ?     ?  
 83  1  1  A  118  TYR  A    84  .  ?        ?     ?     ?     ?  
 84  1  1  A  119  HIS  A    85  .  ?        ?     ?     ?     ?  
 85  1  1  A  120  GLY  A    86  .  ?        ?     ?     ?     ?  
 86  1  1  A  121  ASN  A    87  .  ?        2     ?     ?     ?  
 87  1  1  A  122  LEU  A    88  .  ?        1     ?     ?     ?  
 88  1  1  A  123  GLY  A    89  .  ?        ?     ?     ?     ?  
 89  1  1  A  124  ILE  A    90  .  ?        ?     ?     ?     ?  
 90  1  1  A  125  ASN  A    91  .  ?        ?     ?     ?     ?  
 91  1  1  A  126  ILE  A    92  .  ?        ?     ?     ?     ?  
 92  1  1  A  127  LYS  A    93  .  ?        4     ?     ?     ?  
 93  1  1  A  128  ASN  A    94  .  ?        3     ?     ?     ?  
 94  1  1  A  129  ASP  A    95  .  ?        ?     ?     ?     ?  
 95  1  1  A  130  HIS  A    96  .  ?        ?     ?     ?     ?  
 96  1  1  A  131  GLU  A    97  A  ?        ?     ?     ?     ?  
 97  1  1  A  131  GLU  A    97  B  ?        ?     ?     ?     ?  
 98  1  1  A  132  ASP  A    98  .  ?        ?     ?     ?     ?  
 99  1  1  A  133  ASP  A    99  .  ?        1     ?     ?     ?  
100  1  1  A  134  LYS  A   100  .  ?        ?     ?     ?     ?  
101  1  1  A  135  MET  A   101  .  ?        ?     ?     ?     ?  
102  1  1  A  136  GLN  A   102  .  ?        ?     ?     ?     ?  
103  1  1  A  137  THR  A   103  .  ?        ?     ?     ?     ?  
104  1  1  A  138  ILE  A   104  .  ?        ?     ?     ?     ?  
105  1  1  A  139  PHE  A   105  .  ?        ?     ?     ?     ?  
106  1  1  A  140  LEU  A   106  .  ?        ?     ?     ?     ?  
107  1  1  A  141  ARG  A   107  .  ?        ?     ?     ?     ?  
108  1  1  A  142  ASN  A   108  .  ?        ?     ?     ?     ?  
109  1  1  A  143  ILE  A   109  .  ?        ?     ?     ?     ?  
110  1  1  A  144  ASP  A   110  .  ?        ?     ?     ?     ?  
111  1  1  A  145  ASN  A   111  .  ?        ?     ?     ?     ?  
112  1  1  A  146  GLU  A   112  .  ?        ?     ?     ?     ?  
113  1  1  A  147  LYS  A   113  .  ?        ?     ?     ?     ?  
114  1  1  A  148  ILE  A   114  .  ?        ?     ?     ?     ?  
115  1  1  A  149  PHE  A   115  .  ?        ?     ?     ?     ?  
116  1  1  A  150  GLU  A   116  .  ?        ?     ?     ?     ?  
117  1  1  A  151  LYS  A   117  .  ?        ?     ?     ?     ?  
118  1  1  A  152  GLU  A   118  .  ?        ?     ?     ?     ?  
119  1  1  A  153  ARG  A   119  .  ?        4     ?     ?     ?  
120  1  1  A  154  HIS  A   120  .  ?        ?     ?     ?     ?  
121  1  1  A  155  LEU  A   121  .  ?        ?     ?     ?     ?  
122  1  1  A  156  TYR  A   122  .  ?        ?     ?     ?     ?  
123  1  1  A  157  LYS  A   123  .  ?        ?     ?     ?     ?  
124  1  1  A  158  LEU  A   124  .  ?        ?     ?     ?     ?  
125  1  1  A  159  GLY  A   125  .  ?        ?     ?     ?     ?  
126  1  1  A  160  SER  A   126  .  ?        ?     ?     ?     ?  
127  1  1  A  161  TYR  A   127  .  ?        ?     ?     ?     ?  
128  1  1  A  162  ARG  A   128  .  ?        ?     ?     ?     ?  
129  1  1  A  163  ILE  A   129  .  ?        ?     ?     ?     ?  
130  1  1  A  164  GLU  A   130  .  ?        ?     ?     ?     ?  
131  1  1  A  165  LYS  A   131  .  ?        ?     ?     ?     ?  
132  1  1  A  166  GLY  A   132  .  ?        ?     ?     ?     ?  
133  1  1  A  167  GLU  A   133  .  ?        ?     ?     ?     ?  
134  1  1  A  168  ARG  A   134  .  ?        4     ?     ?     ?  
135  1  1  A  169  ILE  A   135  .  ?        ?     ?     ?     ?  
136  1  1  A  170  ALA  A   136  .  ?        ?     ?     ?     ?  
137  1  1  A  171  GLN  A   137  .  ?        ?     ?     ?     ?  
138  1  1  A  172  LEU  A   138  .  ?        ?     ?     ?     ?  
139  1  1  A  173  VAL  A   139  .  ?        ?     ?     ?     ?  
140  1  1  A  174  ILE  A   140  .  ?        ?     ?     ?     ?  
141  1  1  A  175  VAL  A   141  .  ?        ?     ?     ?     ?  
142  1  1  A  176  PRO  A   142  .  ?        ?     ?     ?     ?  
143  1  1  A  177  ILE  A   143  .  ?        ?     ?     ?     ?  
144  1  1  A  178  TRP  A   144  .  ?        1     ?     ?     ?  
145  1  1  A  179  THR  A   145  .  ?        ?     ?     ?     ?  
146  1  1  A  180  PRO  A   146  .  ?        ?     ?     ?     ?  
147  1  1  A  181  GLU  A   147  .  ?        ?     ?     ?     ?  
148  1  1  A  182  LEU  A   148  .  ?        ?     ?     ?     ?  
149  1  1  A  183  LYS  A   149  .  ?        ?     ?     ?     ?  
150  1  1  A  184  GLN  A   150  .  ?        ?     ?     ?     ?  
151  1  1  A  185  VAL  A   151  .  ?        ?     ?     ?     ?  
152  1  1  A  186  GLU  A   152  .  ?        ?     ?     ?     ?  
153  1  1  A  187  GLU  A   153  .  ?        ?     ?     ?     ?  
154  1  1  A  188  PHE  A   154  .  ?        ?     ?     ?     ?  
155  1  1  A  189  GLU  A   155  .  ?        ?     ?     ?     ?  
156  1  1  A  190  SER  A   156  .  ?        ?     ?     ?     ?  
157  1  2  B    .  DUP  A   777  .  ?        ?     3     1     3  
158  1  3  C    .  NI   A  1157  .  ?        ?     ?     ?     ?  
159  1  3  D    .  NI   A  1158  .  ?        ?     ?     ?     ?  
160  1  4  E    .  HOH  A  2001  .  ?        1     ?     ?     ?  
161  1  4  E    .  HOH  A  2002  .  ?        ?     ?     ?     ?  
162  1  4  E    .  HOH  A  2003  .  ?        ?     ?     ?     ?  
163  1  4  E    .  HOH  A  2004  .  ?        1     ?     ?     ?  
164  1  4  E    .  HOH  A  2005  .  ?        ?     ?     ?     ?  
165  1  4  E    .  HOH  A  2007  .  ?        1     ?     ?     ?  
166  1  4  E    .  HOH  A  2008  .  ?        4     ?     ?     ?  
167  1  4  E    .  HOH  A  2009  .  ?        4     ?     ?     ?  
168  1  4  E    .  HOH  A  2010  .  ?        ?     ?     ?     ?  
169  1  4  E    .  HOH  A  2011  .  ?        ?     ?     ?     ?  
170  1  4  E    .  HOH  A  2013  .  ?        ?     ?     ?     ?  
171  1  4  E    .  HOH  A  2014  .  ?        ?     ?     ?     ?  
172  1  4  E    .  HOH  A  2015  .  ?        ?     ?     ?     ?  
173  1  4  E    .  HOH  A  2016  .  ?        2     ?     ?     ?  
174  1  4  E    .  HOH  A  2017  .  ?        ?     ?     ?     ?  
175  1  4  E    .  HOH  A  2018  .  ?        ?     ?     ?     ?  
176  1  4  E    .  HOH  A  2019  .  ?        ?     ?     ?     ?  
177  1  4  E    .  HOH  A  2020  .  ?        ?     ?     ?     ?  
178  1  4  E    .  HOH  A  2021  .  ?        2     ?     ?     ?  
179  1  4  E    .  HOH  A  2022  .  ?        1     ?     ?     ?  
180  1  4  E    .  HOH  A  2023  .  ?        ?     ?     ?     ?  
181  1  4  E    .  HOH  A  2024  .  ?        ?     ?     ?     ?  
182  1  4  E    .  HOH  A  2026  .  ?        1     ?     ?     ?  
183  1  4  E    .  HOH  A  2027  .  ?        ?     ?     ?     ?  
184  1  4  E    .  HOH  A  2029  .  ?        1     ?     ?     ?  
185  1  4  E    .  HOH  A  2030  .  ?        ?     ?     ?     ?  
186  1  4  E    .  HOH  A  2031  .  ?        ?     ?     ?     ?  
187  1  4  E    .  HOH  A  2032  .  ?        1     ?     ?     ?  
188  1  4  E    .  HOH  A  2033  .  ?        ?     ?     ?     ?  
189  1  4  E    .  HOH  A  2034  .  ?        ?     ?     ?     ?  
190  1  4  E    .  HOH  A  2035  .  ?        1     ?     ?     ?  
191  1  4  E    .  HOH  A  2036  .  ?        ?     ?     ?     ?  
192  1  4  E    .  HOH  A  2037  .  ?        ?     ?     ?     ?  
193  1  4  E    .  HOH  A  2038  .  ?        ?     ?     ?     ?  
#
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.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       ?       ?  ?           ?     6  113.950     7  0.72    10  1.28  molprobity  1.000  
  2    2  t-20      -99.1    35.0  Allowed     ?     6  107.920     8  1.04    11  0.79  molprobity  1.000  
  3    3  p        -128.3   148.6  Favored     ?     7   99.010     7  0.30    10  0.62  molprobity  1.000  
  4    4  tp       -110.4   136.3  Favored     ?    11   88.210     8  0.22    11  0.42  molprobity  1.000  
  5    5  mt-30     -85.1   125.9  Favored     ?     8   87.230     9  0.22    12  0.34  molprobity  1.000  
  6    6  t        -124.3   133.6  Favored     ?     9   76.790     7  0.17    10  0.39  molprobity  1.000  
  7    7  tttt     -124.8   129.2  Favored     ?    13   74.730     9  0.20    11  0.32  molprobity  1.000  
  8    8  mt        -88.8   134.5  Favored     ?    11   75.560     8  0.23    11  0.67  molprobity  1.000  
  9    9  mt       -102.0   -10.1  Favored     ?    11   73.560     8  0.23    11  0.48  molprobity  1.000  
 10   10  p        -156.1   178.2  Favored     ?     5   73.730     6  0.34     8  0.33  molprobity  1.000  
 11   11  pttt      -73.3   -23.0  Favored     ?    13   74.580     9  0.24    11  0.34  molprobity  1.000  
 12   12  m120      -81.3    -9.8  Favored     ?     6   73.110     8  0.25    11  0.41  molprobity  1.000  
 13   13  ?         -81.6   140.6  Favored     ?     5   71.680     5  0.17     7  0.30  molprobity  1.000  
 14   14  ttt180   -114.3   145.9  Favored     ?    13   71.090    11  0.19    14  0.50  molprobity  1.000  
 15   15  tpp       -70.8   127.2  Favored     ?     9   77.830     8  0.37    11  0.97  molprobity  1.000  
 16   16  Cg_exo    -54.4   147.2  Favored     ?     7   78.710     8  0.18    11  0.26  molprobity  1.000  
 17   17  mt-10    -130.1   129.5  Favored     ?     6   88.820     9  0.21    12  0.46  molprobity  1.000  
 18   18  ttt-85   -117.3    75.0  Allowed     ?    13   91.460    11  0.19    14  0.64  molprobity  1.000  
 19   19  p30       -55.1   -38.6  Favored     ?     6  103.800     8  0.38    11  0.50  molprobity  1.000  
 20   20  m80      -109.9   143.1  Favored     ?     7  112.010    11  0.12    15  0.27  molprobity  1.000  
 21   21  ?         -74.7    -7.1  Favored     ?     1  105.060     4  0.26     5  0.73  molprobity  1.000  
 22   22  m         -76.5   -35.2  Favored     ?     7  101.870     7  0.32    10  0.52  molprobity  1.000  
 23   23  m-20      -71.7   148.1  Favored     ?     4   90.530     8  0.20    11  0.54  molprobity  1.000  
 24   24  ?         -91.5   -26.6  Favored     ?     5   80.210     5  0.17     7  0.31  molprobity  1.000  
 25   25  ?        -117.6  -176.5  Favored     ?     3   74.360     4  0.11     5  0.79  molprobity  1.000  
 26   26  m-85     -121.4   125.7  Favored     ?     9   75.500    13  0.28    18  0.35  molprobity  1.000  
 27   27  m-20      -62.1   120.2  Favored     ?     4   69.090     8  0.15    11  0.33  molprobity  1.000  
 28   28  mm       -103.0   129.2  Favored     ?    11   59.610     8  0.18    11  0.39  molprobity  1.000  
 29   29  m-85     -107.6   143.7  Favored     ?     9   58.050    12  0.47    16  0.28  molprobity  1.000  
 30   30  t         -72.6   138.8  Favored     ?     5   60.720     6  0.26     8  0.28  molprobity  1.000  
 31   31  ?        -100.1     7.2  Favored     ?     5   62.380     5  0.17     7  0.44  molprobity  1.000  
 32   32  mt-10    -126.1   158.0  Favored     ?     6   67.100     9  0.25    12  0.65  molprobity  1.000  
 33   33  m        -119.1   111.5  Favored     ?     7   59.740     7  0.27    10  0.62  molprobity  1.000  
 34   34  m        -134.7   150.0  Favored     ?     9   59.800     7  0.23    10  0.60  molprobity  1.000  
 35   35  t        -109.0   120.9  Favored     ?     9   53.690     7  0.18    10  0.40  molprobity  1.000  
 36   36  mt       -103.6   115.9  Favored     ?    11   50.910     8  0.19    11  0.51  molprobity  1.000  
 37   37  mt-10     -76.7   162.1  Favored     ?     6   54.600     9  0.28    13  0.37  molprobity  1.000  
 38   38  Cg_exo    -52.1   136.9  Favored     ?     7   51.730     8  0.29    11  0.42  molprobity  1.000  
 39   39  mm100      69.7    -2.8  Allowed     ?     8   54.960     9  0.38    12  0.59  molprobity  1.000  
 40   40  tt0       -76.4   137.1  Favored     ?     6   62.590     9  0.20    12  0.44  molprobity  1.000  
 41   41  mtpp     -108.6   149.3  Favored     ?    13   53.740     9  0.26    11  0.38  molprobity  1.000  
 42   42  ?        -159.2   159.0  Favored     ?     5   58.370     5  0.28     7  0.35  molprobity  1.000  
 43   43  t        -115.2   108.5  Favored     ?     9   56.740     7  0.15    10  0.48  molprobity  1.000  
 44   44  mm        -83.0   123.7  Favored     ?    11   62.860     8  0.25    11  0.48  molprobity  1.000  
 45   45  mtmt      -75.2   132.0  Favored     ?    13   70.850     9  0.28    11  0.41  molprobity  1.000  
 46   46  p         -99.2   -16.7  Favored     ?     7   64.020     7  0.21    10  0.74  molprobity  1.000  
 47   47  m-20       54.3    37.7  Favored     ?     4   65.370     8  0.29    11  0.61  molprobity  1.000  
 48   48  t        -128.2   139.7  Favored     ?     9   64.820     7  0.21    10  0.39  molprobity  1.000  
 49   49  ?        -125.4   137.7  Favored     ?     5   65.690     5  0.16     7  0.31  molprobity  1.000  
 50   50  m        -123.8   145.8  Favored     ?     9   65.930     7  0.19    10  0.40  molprobity  1.000  
 51   51  t        -112.8    80.2  Allowed     ?     5   70.840     6  0.24     8  0.39  molprobity  1.000  
 52   52  mt        -71.4   127.0  Favored     ?    11   69.670     8  0.22    12  0.51  molprobity  1.000  
 53   53  Cg_endo   -70.5   157.4  Favored     ?     7   69.360     8  0.15    11  0.29  molprobity  1.000  
 54   54  tt0       -61.9   148.5  Favored     ?     6   47.330     9  0.80    12  0.20  molprobity  1.000  
 55   55  ?          93.4     4.8  Favored     ?     3   73.990     4  0.11     5  0.41  molprobity  1.000  
 56   56  m-85     -135.4   152.1  Favored     ?     9   80.240    13  0.29    18  0.38  molprobity  1.000  
 57   57  p        -123.6   144.4  Favored     ?     9   67.600     7  0.21    10  0.32  molprobity  1.000  
 58   58  ?         -99.0   136.7  Favored     ?     3   62.830     4  0.15     5  0.44  molprobity  1.000  
 59   59  mt       -113.2    98.9  Favored     ?    11   55.680     8  0.26    11  0.81  molprobity  1.000  
 60   60  tt        -80.8    93.4  Favored     ?    11   55.860     8  0.21    11  0.75  molprobity  1.000  
 61   61  t        -119.9   171.4  Favored     ?     7   55.100     7  0.26    10  0.65  molprobity  1.000  
 62   62  p         -77.9   151.7  Favored     ?     5   61.610     6  0.19     8  0.58  molprobity  1.000  
 63   63  mtt180    -83.3   149.5  Favored     ?    13   76.020    11  0.20    14  0.49  molprobity  1.000  
 64   64  p         -72.8   -33.3  Favored     ?     5   59.940     6  0.21     8  0.31  molprobity  1.000  
 65   65  ?         -66.1   -43.3  Favored     ?     3   56.450     4  0.25     5  0.22  molprobity  1.000  
 66   66  p         -76.1   -38.3  Favored     ?     9   55.250     7  0.29    10  0.28  molprobity  1.000  
 67   67  p         -75.5   -30.2  Favored     ?     5   55.570     6  0.29     8  0.39  molprobity  1.000  
 68   68  p         -81.6   -28.2  Favored     ?     5   53.690     6  0.20     8  0.29  molprobity  1.000  
 69   69  mttt      -92.5   -37.0  Favored     ?    13   56.020     9  0.22    11  0.40  molprobity  1.000  
 70   70  p        -112.3   165.7  Favored     ?     7   53.640     7  0.27    10  0.59  molprobity  1.000  
 71   71  m80       -83.4     9.9  Favored     ?     7   52.870    11  0.16    15  0.27  molprobity  1.000  
 72   72  OUTLIER   -71.8   109.8  Favored     ?    11   45.880     8  0.20    11  0.93  molprobity  1.000  
 73   73  t        -105.7   118.8  Favored     ?     9   44.910     7  0.14    10  0.40  molprobity  1.000  
 74   74  mt       -103.6   117.0  Favored     ?    11   48.100     8  0.17    11  0.45  molprobity  1.000  
 75   75  tp10      -78.1   112.0  Favored     ?     6   53.730     9  0.23    12  0.51  molprobity  1.000  
 76   76  m         -51.4   127.4  Favored     ?     7   53.360     7  0.25    10  0.44  molprobity  1.000  
 77   77  ?         -97.6   136.3  Favored     ?     3   55.060     4  0.13     5  0.35  molprobity  1.000  
 78   78  OUTLIER   -94.7   102.5  Favored     ?    13   56.800     9  0.19    11  0.34  molprobity  1.000  
 79   79  mm        -79.7   109.0  Favored     ?    11   63.450     8  0.24    11  0.49  molprobity  1.000  
 80   80  m-20      -67.4   140.3  Favored     ?     6   73.480     8  0.29    11  0.41  molprobity  1.000  
 81   81  ?         -70.3    96.0  Allowed     ?     5   75.290     5  0.11     7  0.22  molprobity  1.000  
 82   82  ?         136.9   -18.4  Favored     ?     3   76.470     4  0.22     5  0.30  molprobity  1.000  
 83   83  t80       -69.2   117.0  Favored     ?     9   72.940    13  0.34    18  0.32  molprobity  1.000  
 84   84  m80      -111.2    14.5  Favored     ?     7   81.270    11  0.20    15  0.24  molprobity  1.000  
 85   85  ?         -82.6  -177.5  Favored     ?     3   69.420     4  0.26     5  0.42  molprobity  1.000  
 86   86  OUTLIER   -69.3   124.8  Favored     1     6   63.820     8  0.32    11  0.30  molprobity  1.000  
 87   87  mt        -70.7   114.4  Favored     ?    11   60.710     8  0.20    11  0.66  molprobity  1.000  
 88   88  ?         -99.2   156.5  Favored     ?     3   57.690     4  0.20     5  0.40  molprobity  1.000  
 89   89  mt       -112.1   108.3  Favored     ?    11   53.480     8  0.17    11  0.54  molprobity  1.000  
 90   90  t-20      -75.1    97.3  Favored     ?     6   53.680     8  0.22    11  0.34  molprobity  1.000  
 91   91  tt       -121.0   154.5  Favored     ?    11   48.410     8  0.23    11  0.39  molprobity  1.000  
 92   92  tttt     -148.1   130.1  Favored     ?    13   48.440     9  0.30    11  0.41  molprobity  1.000  
 93   93  t-20      -81.3    99.8  Favored     ?     6   50.350     8  0.35    11  0.42  molprobity  1.000  
 94   94  t0        -83.5     7.0  Favored     ?     4   51.600     8  0.23    11  0.56  molprobity  1.000  
 95   95  t-80      -61.5   142.1  Favored     ?     7   54.340    11  0.25    15  0.78  molprobity  1.000  
 96   96  pt-20     -72.0   151.5  Favored     ?     6   57.960     9  0.79    12  0.69  molprobity  1.000  
 97   97  pt-20     -72.0   151.5  Favored     ?     6   57.960     9  0.79    12  0.69  molprobity  1.000  
 98   98  t0        -93.9    85.9  Favored     ?     4   64.320     8  0.20    11  0.66  molprobity  1.000  
 99   99  p-10      -90.6    14.4  Favored     ?     4   77.410     8  0.26    11  0.58  molprobity  1.000  
100  100  OUTLIER    67.1   -14.8  Allowed     ?    13   81.090     9  0.39    11  0.65  molprobity  1.000  
101  101  OUTLIER   -69.2   155.2  Favored     ?     9   91.400     8  0.26    10  0.71  molprobity  1.000  
102  102  pt20     -129.5   147.9  Favored     ?     8   88.120     9  0.26    12  0.42  molprobity  1.000  
103  103  t        -134.6   158.9  Favored     ?     7   77.170     7  0.38    10  0.42  molprobity  1.000  
104  104  pt        -84.5    -4.9  Favored     ?    11   77.240     8  0.25    11  0.44  molprobity  1.000  
105  105  OUTLIER  -145.8   135.7  Favored     ?     9   82.360    12  0.46    16  0.57  molprobity  1.000  
106  106  OUTLIER   -84.3   171.6  Favored     ?    11   71.070     8  0.24    11  0.75  molprobity  1.000  
107  107  OUTLIER  -124.9   150.4  Favored     ?    13   69.450    11  0.24    14  0.72  molprobity  1.000  
108  108  p30       -80.4  -175.1  Favored     ?     6   59.590     8  0.34    11  0.41  molprobity  1.000  
109  109  pt        -75.9     4.6  Allowed     ?    11   57.530     8  0.24    11  0.36  molprobity  1.000  
110  110  m-20     -109.0    10.3  Favored     ?     4   66.330     8  0.19    11  0.51  molprobity  1.000  
111  111  t-20       65.2    10.3  Favored     1     6   70.300     8  0.45    11  0.54  molprobity  1.000  
112  112  mt-10     -85.7   141.9  Favored     ?     6   75.480     9  0.61    12  0.34  molprobity  1.000  
113  113  mtmp?     -67.0   131.3  Favored     ?    13   80.090     9  0.25    11  0.33  molprobity  1.000  
114  114  mt        -95.7   111.6  Favored     ?    11   84.100     8  0.22    11  0.38  molprobity  1.000  
115  115  m-85      -79.3   129.6  Favored     ?     9   91.380    12  0.49    16  0.24  molprobity  1.000  
116  116  mt-10    -114.2   152.3  Favored     ?     6   94.250     9  0.20    12  0.37  molprobity  1.000  
117  117  ?         -71.6   -38.4  Favored     ?     2   93.280     5  0.16     7  0.29  molprobity  1.000  
118  118  ?        -100.7   134.9  Favored     ?     2   96.190     5  0.26     7  0.32  molprobity  1.000  
119  119  OUTLIER   -76.5   136.2  Favored     ?    13  101.970    11  0.46    14  1.04  molprobity  1.000  
120  120  m-70     -143.4   146.6  Favored     ?     7   93.200    11  0.14    15  0.29  molprobity  1.000  
121  121  mt        -99.4   109.1  Favored     ?    11   84.540     8  0.24    11  0.49  molprobity  1.000  
122  122  m-85     -107.5   157.7  Favored     ?     9   77.460    13  0.29    18  0.32  molprobity  1.000  
123  123  mtmt      -74.6   142.3  Favored     ?    13   72.220     9  0.23    11  0.25  molprobity  1.000  
124  124  tp        -63.2   128.3  Favored     ?    11   64.480     8  0.23    11  0.40  molprobity  1.000  
125  125  ?          98.0    12.3  Favored     ?     3   61.000     4  0.25     5  0.27  molprobity  1.000  
126  126  m         -79.7   138.7  Favored     ?     5   58.940     6  0.21     8  0.35  molprobity  1.000  
127  127  m-85     -119.6   150.4  Favored     ?     9   59.300    13  0.30    18  0.29  molprobity  1.000  
128  128  ttp180   -121.7   129.6  Favored     ?    13   67.170    11  0.18    14  0.41  molprobity  1.000  
129  129  mt       -104.9   132.1  Favored     ?    11   62.530     8  0.15    11  0.50  molprobity  1.000  
130  130  mt-10    -109.1   155.4  Favored     ?     6   70.460     9  0.15    12  0.49  molprobity  1.000  
131  131  ttpp      -57.5   122.5  Favored     ?    13   68.640     9  0.26    11  0.34  molprobity  1.000  
132  132  ?          88.5    25.2  Favored     ?     3   65.890     4  0.21     5  0.39  molprobity  1.000  
133  133  mt-10    -100.4   143.0  Favored     ?     6   64.060     9  0.23    12  0.55  molprobity  1.000  
134  134  OUTLIER   -73.3    98.9  Favored     ?    13   77.630    11  0.32    14  1.14  molprobity  1.000  
135  135  pt       -118.4   -20.9  Favored     ?    11   69.560     8  0.27    11  0.50  molprobity  1.000  
136  136  ?        -140.8   173.1  Favored     ?     5   62.340     5  0.17     7  0.31  molprobity  1.000  
137  137  pt20     -143.4   150.5  Favored     ?     8   62.630     9  0.23    12  0.44  molprobity  1.000  
138  138  tp       -108.9   124.1  Favored     ?    11   59.020     8  0.23    11  0.66  molprobity  1.000  
139  139  t        -123.5   121.7  Favored     ?     9   57.990     7  0.20    10  0.36  molprobity  1.000  
140  140  mt        -98.8   127.8  Favored     ?    11   58.080     8  0.20    11  0.45  molprobity  1.000  
141  141  t        -129.1   134.8  Favored     ?     9   59.990     7  0.38    11  0.57  molprobity  1.000  
142  142  Cg_endo   -60.4   148.6  Favored     ?     7   65.710     8  0.14    11  0.41  molprobity  1.000  
143  143  pt       -133.3   149.0  Favored     ?    11   71.410     8  0.20    11  0.64  molprobity  1.000  
144  144  t90      -108.1   114.2  Favored     ?    10   84.120    16  0.36    23  0.24  molprobity  1.000  
145  145  p        -119.6    78.7  Favored     ?     7   80.070     7  0.40    11  0.62  molprobity  1.000  
146  146  Cg_endo   -82.2   165.1  Favored     ?     7   83.060     8  0.25    11  0.29  molprobity  1.000  
147  147  ?         -73.0   141.8  Favored     ?     2   87.870     5  0.21     7  0.23  molprobity  1.000  
148  148  mt        -88.6   134.3  Favored     ?    11   90.080     8  0.23    11  0.68  molprobity  1.000  
149  149  ?        -126.4   113.8  Favored     ?     2   83.710     5  0.18     7  0.24  molprobity  1.000  
150  150  tt0       -64.5   125.6  Favored     1     8   75.280     9  0.26    12  0.44  molprobity  1.000  
151  151  t        -128.2   142.5  Favored     ?     9   79.330     7  0.20    10  0.47  molprobity  1.000  
152  152  tt0       -86.3   -29.8  Favored     ?     6   82.100     9  0.26    12  0.46  molprobity  1.000  
153  153  tp10     -156.8   132.9  Favored     ?     6   91.820     9  0.24    12  0.42  molprobity  1.000  
154  154  m-85      -60.5   158.3  Favored     ?     9   95.460    12  0.48    16  0.55  molprobity  1.000  
155  155  tt0       -44.4   -54.6  Favored     ?     6  107.330     9  0.30    12  0.49  molprobity  1.000  
156  156  m             ?       ?  ?           ?     5  105.330     5  0.21     5  0.16  molprobity  1.000  
157  157  ?             ?       ?  ?           ?    12  151.650    25  1.62    30  1.17  mogul       1.000  
158  158  ?             ?       ?  ?           ?     ?   74.100     ?     ?     ?     ?  ?           0.330  
159  159  ?             ?       ?  ?           ?     ?  130.000     ?     ?     ?     ?  ?           0.330  
160  160  ?             ?       ?  ?           ?     ?   30.000     ?     ?     ?     ?  ?           1.000  
161  161  ?             ?       ?  ?           ?     ?   72.770     ?     ?     ?     ?  ?           1.000  
162  162  ?             ?       ?  ?           ?     ?   51.630     ?     ?     ?     ?  ?           1.000  
163  163  ?             ?       ?  ?           ?     ?   30.420     ?     ?     ?     ?  ?           1.000  
164  164  ?             ?       ?  ?           ?     ?   49.950     ?     ?     ?     ?  ?           1.000  
165  165  ?             ?       ?  ?           ?     ?   30.000     ?     ?     ?     ?  ?           1.000  
166  166  ?             ?       ?  ?           ?     ?   30.000     ?     ?     ?     ?  ?           1.000  
167  167  ?             ?       ?  ?           ?     ?   54.890     ?     ?     ?     ?  ?           1.000  
168  168  ?             ?       ?  ?           ?     ?   30.000     ?     ?     ?     ?  ?           1.000  
169  169  ?             ?       ?  ?           ?     ?   31.640     ?     ?     ?     ?  ?           1.000  
170  170  ?             ?       ?  ?           ?     ?   30.000     ?     ?     ?     ?  ?           1.000  
171  171  ?             ?       ?  ?           ?     ?   30.000     ?     ?     ?     ?  ?           1.000  
172  172  ?             ?       ?  ?           ?     ?   39.180     ?     ?     ?     ?  ?           1.000  
173  173  ?             ?       ?  ?           ?     ?   30.000     ?     ?     ?     ?  ?           1.000  
174  174  ?             ?       ?  ?           ?     ?   30.000     ?     ?     ?     ?  ?           1.000  
175  175  ?             ?       ?  ?           ?     ?   38.170     ?     ?     ?     ?  ?           1.000  
176  176  ?             ?       ?  ?           ?     ?   45.140     ?     ?     ?     ?  ?           1.000  
177  177  ?             ?       ?  ?           ?     ?   51.640     ?     ?     ?     ?  ?           1.000  
178  178  ?             ?       ?  ?           ?     ?   30.000     ?     ?     ?     ?  ?           1.000  
179  179  ?             ?       ?  ?           ?     ?   30.000     ?     ?     ?     ?  ?           1.000  
180  180  ?             ?       ?  ?           ?     ?   50.470     ?     ?     ?     ?  ?           1.000  
181  181  ?             ?       ?  ?           ?     ?   35.890     ?     ?     ?     ?  ?           1.000  
182  182  ?             ?       ?  ?           ?     ?   35.860     ?     ?     ?     ?  ?           1.000  
183  183  ?             ?       ?  ?           ?     ?   30.000     ?     ?     ?     ?  ?           1.000  
184  184  ?             ?       ?  ?           ?     ?   30.000     ?     ?     ?     ?  ?           1.000  
185  185  ?             ?       ?  ?           ?     ?   41.350     ?     ?     ?     ?  ?           1.000  
186  186  ?             ?       ?  ?           ?     ?   30.950     ?     ?     ?     ?  ?           1.000  
187  187  ?             ?       ?  ?           ?     ?   30.630     ?     ?     ?     ?  ?           1.000  
188  188  ?             ?       ?  ?           ?     ?   30.000     ?     ?     ?     ?  ?           1.000  
189  189  ?             ?       ?  ?           ?     ?   27.220     ?     ?     ?     ?  ?           1.000  
190  190  ?             ?       ?  ?           ?     ?   30.000     ?     ?     ?     ?  ?           1.000  
191  191  ?             ?       ?  ?           ?     ?   54.330     ?     ?     ?     ?  ?           1.000  
192  192  ?             ?       ?  ?           ?     ?   76.500     ?     ?     ?     ?  ?           1.000  
193  193  ?             ?       ?  ?           ?     ?   58.590     ?     ?     ?     ?  ?           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    1  HA     1  1.12  1.49  
 2    1  OG1    2  0.52  2.38  
 3    1  HG23   3  0.50  1.76  
 4    2  N      2  0.52  2.38  
 5    2  H      3  0.50  1.76  
 6    2  O      4  0.50  2.29  
 7    2  OD1    4  0.50  2.29  
 8   11  HG2    5  0.77  1.84  
 9   34  HG21   6  0.42  2.01  
10   39  NE2    7  0.86  2.08  
11   44  HD12   6  0.42  2.01  
12   46  O      8  1.03  1.73  
13   47  H      9  0.48  1.62  
14   66  CG1   10  0.54  2.56  
15   66  HG13  11  0.42  2.20  
16   77  HA2   12  0.43  2.19  
17   78  HD2   13  0.79  1.82  
18   80  HB3   14  0.53  2.09  
19   86  HD21   9  0.48  1.62  
20   86  HD22  15  0.48  2.12  
21   87  N     15  0.48  2.12  
22   92  HE2   16  0.80  1.81  
23   92  NZ    17  0.78  2.16  
24   92  CE    18  0.73  2.35  
25   92  HG2   19  0.65  1.95  
26   93  O     20  0.77  2.01  
27   93  C     21  0.51  2.48  
28   93  N     22  0.47  2.48  
29   99  HB3   23  0.45  2.15  
30  119  HA    24  1.22  1.34  
31  119  NH2   25  0.56  2.38  
32  119  HH11  26  0.54  1.73  
33  119  HB3   26  0.54  1.73  
34  134  HH11  27  0.75  1.49  
35  134  HG3   27  0.75  1.49  
36  134  HG3   28  0.51  2.22  
37  134  NH1   28  0.51  2.22  
38  144  HD1   29  0.80  1.64  
39  160  O      1  1.12  1.49  
40  163  O      5  0.77  1.84  
41  165  O      8  1.03  1.73  
42  166  O     20  0.77  2.01  
43  166  O     19  0.65  1.95  
44  166  O     21  0.51  2.48  
45  166  O     22  0.47  2.48  
46  167  O      7  0.86  2.08  
47  167  O     16  0.80  1.81  
48  167  O     17  0.78  2.16  
49  167  O     18  0.73  2.35  
50  173  O     10  0.54  2.56  
51  173  O     11  0.42  2.20  
52  178  O     13  0.79  1.82  
53  178  O     12  0.43  2.19  
54  179  O     14  0.53  2.09  
55  182  O     23  0.45  2.15  
56  184  O     24  1.22  1.34  
57  187  O     25  0.56  2.38  
58  190  O     29  0.80  1.64  
#
loop_
_pdbx_vrpt_instance_mogul_bond_outliers.ordinal
_pdbx_vrpt_instance_mogul_bond_outliers.instance_id
_pdbx_vrpt_instance_mogul_bond_outliers.atom_1
_pdbx_vrpt_instance_mogul_bond_outliers.atom_2
_pdbx_vrpt_instance_mogul_bond_outliers.obsval
_pdbx_vrpt_instance_mogul_bond_outliers.mean
_pdbx_vrpt_instance_mogul_bond_outliers.numobs
_pdbx_vrpt_instance_mogul_bond_outliers.stdev
_pdbx_vrpt_instance_mogul_bond_outliers.Zscore
_pdbx_vrpt_instance_mogul_bond_outliers.mindiff
1  157  PA  N3A  1.75  1.63  33  0.03  4.57  0.10  
2  157  PB  N3A  1.75  1.63  33  0.03  4.54  0.09  
3  157  PB  O3B  1.61  1.59  74  0.01  2.06  0.00  
#
_pdbx_vrpt_instance_mogul_angle_outliers.ordinal      1
_pdbx_vrpt_instance_mogul_angle_outliers.instance_id  157
_pdbx_vrpt_instance_mogul_angle_outliers.atom_1       PB
_pdbx_vrpt_instance_mogul_angle_outliers.atom_2       O3B
_pdbx_vrpt_instance_mogul_angle_outliers.atom_3       PG
_pdbx_vrpt_instance_mogul_angle_outliers.obsval       121.53
_pdbx_vrpt_instance_mogul_angle_outliers.mean         132.62
_pdbx_vrpt_instance_mogul_angle_outliers.numobs       58
_pdbx_vrpt_instance_mogul_angle_outliers.stdev        3.52
_pdbx_vrpt_instance_mogul_angle_outliers.Zscore       -3.15
_pdbx_vrpt_instance_mogul_angle_outliers.mindiff      1.58
#
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  157  "C5'"  "O5'"  PA  O1A  155.28  88.65  89  32.03  4.37  1.12  
2  157  "C5'"  "O5'"  PA  O2A   34.95  46.97  52  45.21  2.19  3.85  
3  157  PA     N3A    PB  O3B  -80.62  37.17  42  18.76  9.31  2.38  
#
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   7   0.684  0.194  -0.210  
  2    2   8   0.830  0.196  -0.193  
  3    3   7   0.935  0.201  -0.136  
  4    4   8   0.936  0.217  -0.445  
  5    5   9   0.896  0.301   0.564  
  6    6   7   0.936  0.251   0.001  
  7    7   9   0.942  0.168  -0.923  
  8    8   8   0.965  0.271   0.028  
  9    9   8   0.939  0.259  -0.077  
 10   10   6   0.965  0.163  -0.425  
 11   11   9   0.902  0.167  -0.931  
 12   12   8   0.937  0.182  -0.341  
 13   13   5   0.962  0.225   0.073  
 14   14  11   0.941  0.195  -0.614  
 15   15   8   0.944  0.240   0.054  
 16   16   7   0.961  0.178  -0.393  
 17   17   9   0.897  0.219  -0.328  
 18   18  11   0.860  0.277   0.034  
 19   19   8   0.748  0.442   2.404  
 20   20  10   0.875  0.329   1.039  
 21   21   4   0.873  0.196  -0.704  
 22   22   7   0.800  0.346   1.392  
 23   23   8   0.810  0.202  -0.151  
 24   24   5   0.954  0.244   0.250  
 25   25   4   0.958  0.158  -0.399  
 26   26  12   0.961  0.219  -0.284  
 27   27   8   0.950  0.233   0.168  
 28   28   8   0.974  0.241  -0.189  
 29   29  11   0.957  0.273   0.078  
 30   30   6   0.966  0.191  -0.131  
 31   31   5   0.941  0.221   0.036  
 32   32   9   0.901  0.199  -0.503  
 33   33   7   0.961  0.172  -0.442  
 34   34   7   0.960  0.238  -0.115  
 35   35   7   0.966  0.231  -0.178  
 36   36   8   0.974  0.276   0.072  
 37   37   9   0.942  0.172  -0.740  
 38   38   7   0.972  0.193  -0.244  
 39   39   9   0.972  0.228  -0.136  
 40   40   9   0.942  0.204  -0.459  
 41   41   9   0.953  0.222  -0.502  
 42   42   5   0.972  0.194  -0.215  
 43   43   7   0.969  0.193  -0.517  
 44   44   8   0.984  0.306   0.399  
 45   45   9   0.933  0.223  -0.494  
 46   46   7   0.953  0.199  -0.157  
 47   47   8   0.939  0.171  -0.470  
 48   48   7   0.971  0.212  -0.347  
 49   49   5   0.976  0.189  -0.261  
 50   50   7   0.966  0.246  -0.044  
 51   51   6   0.939  0.164  -0.414  
 52   52   8   0.961  0.252  -0.090  
 53   53   7   0.946  0.304   0.861  
 54   54   9   0.690  0.288   0.277  
 55   55   4   0.932  0.185  -0.156  
 56   56  12   0.912  0.259   0.087  
 57   57   7   0.966  0.193  -0.517  
 58   58   4   0.959  0.162  -0.363  
 59   59   8   0.957  0.227  -0.358  
 60   60   8   0.964  0.291   0.203  
 61   61   7   0.974  0.221   0.075  
 62   62   6   0.972  0.153  -0.530  
 63   63  11   0.932  0.390   0.927  
 64   64   6   0.935  0.164  -0.414  
 65   65   4   0.940  0.163  -0.354  
 66   66   7   0.943  0.244  -0.062  
 67   67   6   0.973  0.219   0.163  
 68   68   6   0.967  0.182  -0.226  
 69   69   9   0.963  0.194  -0.720  
 70   70   7   0.981  0.197  -0.178  
 71   71  10   0.970  0.203  -0.222  
 72   72   8   0.986  0.252  -0.138  
 73   73   7   0.978  0.239  -0.106  
 74   74   8   0.972  0.207  -0.496  
 75   75   9   0.959  0.167  -0.784  
 76   76   7   0.962  0.201  -0.136  
 77   77   4   0.941  0.230   0.248  
 78   78   9   0.891  0.217  -0.541  
 79   79   8   0.966  0.252  -0.090  
 80   80   8   0.847  0.214  -0.003  
 81   81   5   0.930  0.222   0.046  
 82   82   4   0.875  0.108  -0.847  
 83   83  12   0.943  0.155  -0.878  
 84   84  10   0.900  0.251   0.258  
 85   85   4   0.920  0.159  -0.390  
 86   86   8   0.942  0.186  -0.299  
 87   87   8   0.968  0.220  -0.419  
 88   88   4   0.956  0.170  -0.291  
 89   89   8   0.981  0.245  -0.153  
 90   90   8   0.956  0.213  -0.014  
 91   91   8   0.987  0.180  -0.741  
 92   92   9   0.919  0.252  -0.268  
 93   93   8   0.930  0.204  -0.109  
 94   94   8   0.952  0.194  -0.234  
 95   95  10   0.960  0.205  -0.202  
 96   96  15   0.937  0.235  -0.188  
 97   97  15   0.937  0.235  -0.188  
 98   98   8   0.947  0.181  -0.367  
 99   99   8   0.955  0.143  -0.758  
100  100   9   0.920  0.210  -0.595  
101  101   8   0.881  0.235   0.007  
102  102   9   0.866  0.301   0.564  
103  103   7   0.957  0.203  -0.115  
104  104   8   0.930  0.262   0.001  
105  105  11   0.885  0.256  -0.071  
106  106   8   0.953  0.268   0.002  
107  107  11   0.928  0.221  -0.408  
108  108   8   0.957  0.178  -0.383  
109  109   8   0.977  0.263   0.010  
110  110   8   0.934  0.150  -0.686  
111  111   8   0.953  0.203  -0.119  
112  112   9   0.852  0.170  -0.757  
113  113   9   0.886  0.302   0.122  
114  114   8   0.932  0.227  -0.316  
115  115  11   0.903  0.199  -0.571  
116  116   9   0.880  0.213  -0.380  
117  117   5   0.921  0.192  -0.736  
118  118   5   0.858  0.144  -0.985  
119  119  11   0.819  0.250  -0.179  
120  120  10   0.890  0.190  -0.352  
121  121   8   0.957  0.194  -0.647  
122  122  12   0.953  0.230  -0.182  
123  123   9   0.926  0.227  -0.463  
124  124   8   0.970  0.291   0.203  
125  125   4   0.949  0.163  -0.354  
126  126   6   0.970  0.201  -0.026  
127  127  12   0.966  0.238  -0.108  
128  128  11   0.939  0.216  -0.448  
129  129   8   0.972  0.270   0.073  
130  130   9   0.916  0.192  -0.564  
131  131   9   0.939  0.225  -0.478  
132  132   4   0.948  0.203   0.005  
133  133   9   0.946  0.194  -0.547  
134  134  11   0.842  0.331   0.461  
135  135   8   0.958  0.281   0.173  
136  136   5   0.979  0.192  -0.233  
137  137   9   0.961  0.199  -0.414  
138  138   8   0.970  0.247  -0.182  
139  139   7   0.950  0.243  -0.071  
140  140   8   0.971  0.339   0.697  
141  141   7   0.971  0.236  -0.133  
142  142   7   0.975  0.195  -0.224  
143  143   8   0.949  0.277   0.137  
144  144  14   0.942  0.204  -0.375  
145  145   7   0.940  0.159  -0.579  
146  146   7   0.965  0.199  -0.184  
147  147   5   0.882  0.169  -0.766  
148  148   8   0.922  0.489   1.939  
149  149   5   0.891  0.254  -0.252  
150  150   9   0.892  0.212  -0.290  
151  151   7   0.946  0.233  -0.160  
152  152   9   0.906  0.286   0.259  
153  153   9   0.886  0.236  -0.179  
154  154  11   0.921  0.252  -0.106  
155  155   9   0.793  0.232  -0.214  
156  156   6   0.771  0.288   0.887  
157  157  28   0.817  0.389       ?  
158  158   1   0.967  0.188       ?  
159  159   1   0.996  0.095       ?  
160  160   1   0.746  0.349       ?  
161  161   1   0.600  0.302       ?  
162  162   1   0.851  0.393       ?  
163  163   1   0.907  0.452       ?  
164  164   1   0.948  0.259       ?  
165  165   1   0.840  0.565       ?  
166  166   1   0.736  1.043       ?  
167  167   1   0.903  0.226       ?  
168  168   1   0.681  0.637       ?  
169  169   1   0.759  0.300       ?  
170  170   1   0.826  0.619       ?  
171  171   1   0.605  0.578       ?  
172  172   1   0.868  0.220       ?  
173  173   1   0.715  1.650       ?  
174  174   1   0.476  0.614       ?  
175  175   1   0.679  0.322       ?  
176  176   1   0.522  0.562       ?  
177  177   1   0.803  0.250       ?  
178  178   1  -0.196  0.861       ?  
179  179   1   0.715  0.485       ?  
180  180   1   0.851  0.391       ?  
181  181   1   0.866  0.380       ?  
182  182   1   0.568  0.469       ?  
183  183   1   0.592  0.402       ?  
184  184   1   0.736  0.360       ?  
185  185   1   0.835  0.317       ?  
186  186   1   0.779  0.290       ?  
187  187   1   0.870  0.191       ?  
188  188   1   0.805  0.357       ?  
189  189   1   0.805  0.950       ?  
190  190   1   0.560  0.431       ?  
191  191   1   0.673  0.277       ?  
192  192   1   0.974  0.164       ?  
193  193   1   0.795  0.258       ?  
#
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        "1.8.4, 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  
##
