data_6DCY

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  6DCY
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    6DCY
_pdbx_vrpt_summary.PDB_deposition_date         2018-05-08
_pdbx_vrpt_summary.PDB_revision_number         4
_pdbx_vrpt_summary.PDB_revision_date           2023-10-11
_pdbx_vrpt_summary.report_creation_date        2023-10-07:19:49
_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      "Polymerase acidic protein"  
2  non-polymer  "MANGANESE (II) ION"  
3  non-polymer  "5-hydroxy-2-methyl-4-oxo-4H-pyran-3-carboxylic acid"  
4  water        water  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  2  
C  2  
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  2.08  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   64.74  141614     ?     ?  
 2  2  1   63.92    6738  2.06  2.10  
 3  1  2  100.00  138981     ?     ?  
 4  2  2  100.00    6663  2.06  2.10  
 5  1  3   15.17  138945     ?     ?  
 6  2  3   11.54    6664  2.06  2.10  
 7  1  4   44.79  127900     ?     ?  
 8  2  4   50.39    6057  2.06  2.10  
 9  1  5   12.99  130704     ?     ?  
10  2  5    8.35    6189  2.06  2.10  
#
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   15.17  
4  6  3  A  1  1  A   11.54  
5  7  4  A  1  1  A   44.79  
6  8  4  A  1  1  A   50.39  
#
_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      0.72
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ       0.55
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ   1497
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ  2006
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  0.00
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       6.92
_pdbx_vrpt_summary_geometry.clashscore                     4.11
_pdbx_vrpt_summary_geometry.num_H_reduce                   1441
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 1497
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.55
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                2006
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.72
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.Babinet_b                 81.115
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            37.881
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         38.944
_pdbx_vrpt_summary_diffraction.I_over_sigma              2.36(2.08A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        12656
_pdbx_vrpt_summary_diffraction.Babinet_k                 0.285
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.348
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.490
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.325
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.944
_pdbx_vrpt_summary_diffraction.DCC_R                     0.24
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.28
_pdbx_vrpt_summary_diffraction.EDS_R                     0.24
_pdbx_vrpt_summary_diffraction.EDS_res_high              2.08
_pdbx_vrpt_summary_diffraction.EDS_res_low               37.77
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[38.947,38.947,38.937,0.000,0.000,0.000]"
_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 9.15% 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          1
_pdbx_vrpt_summary_diffraction.data_completeness         98.77
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      611
_pdbx_vrpt_summary_diffraction.percent_free_reflections  4.83
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     3.41
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       2.08
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        37.77
_pdbx_vrpt_summary_diffraction.PDB_R                     0.23
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.27
#
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_plane_outliers
_pdbx_vrpt_model_instance.count_mogul_bond_outliers
_pdbx_vrpt_model_instance.count_mogul_angle_outliers
_pdbx_vrpt_model_instance.count_mogul_torsion_outliers
_pdbx_vrpt_model_instance.ligand_of_interest
  1  1  1  A    5  MET  A   -1  .  ?        ?     ?     ?     ?     ?     ?  ?     
  2  1  1  A    6  ALA  A    0  .  ?        ?     ?     ?     ?     ?     ?  ?     
  3  1  1  A    7  MET  A    1  .  ?        ?     ?     ?     ?     ?     ?  ?     
  4  1  1  A    8  GLU  A    2  .  ?        1     ?     ?     ?     ?     ?  ?     
  5  1  1  A    9  ASP  A    3  .  ?        ?     ?     ?     ?     ?     ?  ?     
  6  1  1  A   10  PHE  A    4  .  ?        ?     ?     ?     ?     ?     ?  ?     
  7  1  1  A   11  VAL  A    5  .  ?        ?     ?     ?     ?     ?     ?  ?     
  8  1  1  A   12  ARG  A    6  .  ?        1     ?     ?     ?     ?     ?  ?     
  9  1  1  A   13  GLN  A    7  .  ?        ?     ?     ?     ?     ?     ?  ?     
 10  1  1  A   14  CYS  A    8  .  ?        ?     ?     ?     ?     ?     ?  ?     
 11  1  1  A   15  PHE  A    9  .  ?        ?     ?     ?     ?     ?     ?  ?     
 12  1  1  A   16  ASN  A   10  .  ?        ?     ?     ?     ?     ?     ?  ?     
 13  1  1  A   17  PRO  A   11  .  ?        ?     ?     ?     ?     ?     ?  ?     
 14  1  1  A   18  MET  A   12  .  ?        ?     ?     ?     ?     ?     ?  ?     
 15  1  1  A   19  ILE  A   13  .  ?        ?     ?     ?     ?     ?     ?  ?     
 16  1  1  A   20  VAL  A   14  .  ?        ?     ?     ?     ?     ?     ?  ?     
 17  1  1  A   21  GLU  A   15  .  ?        ?     ?     ?     ?     ?     ?  ?     
 18  1  1  A   22  LEU  A   16  .  ?        ?     ?     ?     ?     ?     ?  ?     
 19  1  1  A   23  ALA  A   17  .  ?        ?     ?     ?     ?     ?     ?  ?     
 20  1  1  A   24  GLU  A   18  .  ?        ?     ?     ?     ?     ?     ?  ?     
 21  1  1  A   25  LYS  A   19  .  ?        ?     ?     ?     ?     ?     ?  ?     
 22  1  1  A   26  ALA  A   20  .  ?        ?     ?     ?     ?     ?     ?  ?     
 23  1  1  A   27  MET  A   21  .  ?        ?     ?     ?     ?     ?     ?  ?     
 24  1  1  A   28  LYS  A   22  .  ?        ?     ?     ?     ?     ?     ?  ?     
 25  1  1  A   29  GLU  A   23  .  ?        ?     ?     ?     ?     ?     ?  ?     
 26  1  1  A   30  TYR  A   24  .  ?        1     ?     ?     ?     ?     ?  ?     
 27  1  1  A   31  GLY  A   25  .  ?        ?     ?     ?     ?     ?     ?  ?     
 28  1  1  A   32  GLU  A   26  .  ?        ?     ?     ?     ?     ?     ?  ?     
 29  1  1  A   33  ASP  A   27  .  ?        ?     ?     ?     ?     ?     ?  ?     
 30  1  1  A   34  PRO  A   28  .  ?        ?     ?     ?     ?     ?     ?  ?     
 31  1  1  A   35  LYS  A   29  .  ?        ?     ?     ?     ?     ?     ?  ?     
 32  1  1  A   36  ILE  A   30  .  ?        ?     1     ?     ?     ?     ?  ?     
 33  1  1  A   37  GLU  A   31  .  ?        ?     ?     ?     ?     ?     ?  ?     
 34  1  1  A   38  THR  A   32  .  ?        ?     ?     ?     ?     ?     ?  ?     
 35  1  1  A   39  ASN  A   33  .  ?        ?     ?     ?     ?     ?     ?  ?     
 36  1  1  A   40  LYS  A   34  .  ?        ?     ?     ?     ?     ?     ?  ?     
 37  1  1  A   41  PHE  A   35  .  ?        ?     ?     ?     ?     ?     ?  ?     
 38  1  1  A   42  ALA  A   36  .  ?        ?     ?     ?     ?     ?     ?  ?     
 39  1  1  A   43  ALA  A   37  .  ?        ?     ?     ?     ?     ?     ?  ?     
 40  1  1  A   44  ILE  A   38  .  ?        ?     ?     ?     ?     ?     ?  ?     
 41  1  1  A   45  CYS  A   39  .  ?        ?     ?     ?     ?     ?     ?  ?     
 42  1  1  A   46  THR  A   40  .  ?        ?     ?     ?     ?     ?     ?  ?     
 43  1  1  A   47  HIS  A   41  .  ?        ?     ?     ?     ?     ?     ?  ?     
 44  1  1  A   48  LEU  A   42  .  ?        ?     ?     ?     ?     ?     ?  ?     
 45  1  1  A   49  GLU  A   43  .  ?        ?     ?     ?     ?     ?     ?  ?     
 46  1  1  A   50  VAL  A   44  .  ?        ?     ?     ?     ?     ?     ?  ?     
 47  1  1  A   51  CYS  A   45  .  ?        ?     ?     ?     ?     ?     ?  ?     
 48  1  1  A   52  PHE  A   46  .  ?        ?     ?     ?     ?     ?     ?  ?     
 49  1  1  A   53  MET  A   47  .  ?        ?     ?     ?     ?     ?     ?  ?     
 50  1  1  A   54  TYR  A   48  .  ?        ?     ?     ?     ?     ?     ?  ?     
 51  1  1  A   55  SER  A   49  .  ?        ?     ?     ?     ?     ?     ?  ?     
 52  1  1  A   56  ASP  A   50  .  ?        ?     ?     ?     ?     ?     ?  ?     
 53  1  1  A   57  PHE  A   51  .  ?        ?     ?     ?     ?     ?     ?  ?     
 54  1  1  A   58  GLY  A   52  .  ?        ?     ?     ?     ?     ?     ?  ?     
 55  1  1  A   67  LYS  A   73  .  ?        ?     ?     ?     ?     ?     ?  ?     
 56  1  1  A   68  HIS  A   74  .  ?        ?     ?     ?     ?     ?     ?  ?     
 57  1  1  A   69  ARG  A   75  .  ?        ?     ?     ?     ?     ?     ?  ?     
 58  1  1  A   70  PHE  A   76  .  ?        ?     ?     ?     ?     ?     ?  ?     
 59  1  1  A   71  GLU  A   77  .  ?        ?     ?     ?     ?     ?     ?  ?     
 60  1  1  A   72  ILE  A   78  .  ?        ?     ?     ?     ?     ?     ?  ?     
 61  1  1  A   73  ILE  A   79  .  ?        ?     ?     ?     ?     ?     ?  ?     
 62  1  1  A   74  GLU  A   80  .  ?        ?     ?     ?     ?     ?     ?  ?     
 63  1  1  A   75  GLY  A   81  .  ?        ?     ?     ?     ?     ?     ?  ?     
 64  1  1  A   76  ARG  A   82  .  ?        ?     ?     ?     ?     ?     ?  ?     
 65  1  1  A   77  ASP  A   83  .  ?        ?     ?     ?     ?     ?     ?  ?     
 66  1  1  A   78  ARG  A   84  .  ?        1     ?     ?     ?     ?     ?  ?     
 67  1  1  A   79  ILE  A   85  .  ?        ?     ?     ?     ?     ?     ?  ?     
 68  1  1  A   80  MET  A   86  .  ?        1     ?     ?     ?     ?     ?  ?     
 69  1  1  A   81  ALA  A   87  .  ?        ?     ?     ?     ?     ?     ?  ?     
 70  1  1  A   82  TRP  A   88  .  ?        ?     ?     ?     ?     ?     ?  ?     
 71  1  1  A   83  THR  A   89  .  ?        ?     ?     ?     ?     ?     ?  ?     
 72  1  1  A   84  VAL  A   90  .  ?        1     ?     ?     ?     ?     ?  ?     
 73  1  1  A   85  VAL  A   91  .  ?        ?     ?     ?     ?     ?     ?  ?     
 74  1  1  A   86  ASN  A   92  .  ?        ?     ?     ?     ?     ?     ?  ?     
 75  1  1  A   87  SER  A   93  .  ?        ?     ?     ?     ?     ?     ?  ?     
 76  1  1  A   88  ILE  A   94  .  ?        ?     ?     ?     ?     ?     ?  ?     
 77  1  1  A   89  CYS  A   95  .  ?        ?     ?     ?     ?     ?     ?  ?     
 78  1  1  A   90  ASN  A   96  .  ?        ?     ?     ?     ?     ?     ?  ?     
 79  1  1  A   91  THR  A   97  .  ?        ?     ?     ?     ?     ?     ?  ?     
 80  1  1  A   92  THR  A   98  .  ?        ?     ?     ?     ?     ?     ?  ?     
 81  1  1  A   93  GLY  A   99  .  ?        ?     ?     ?     ?     ?     ?  ?     
 82  1  1  A   94  VAL  A  100  .  ?        ?     ?     ?     ?     ?     ?  ?     
 83  1  1  A   95  GLU  A  101  .  ?        ?     ?     ?     ?     ?     ?  ?     
 84  1  1  A   96  LYS  A  102  .  ?        ?     ?     ?     ?     ?     ?  ?     
 85  1  1  A   97  PRO  A  103  .  ?        ?     ?     ?     ?     ?     ?  ?     
 86  1  1  A   98  LYS  A  104  .  ?        ?     ?     ?     ?     ?     ?  ?     
 87  1  1  A   99  PHE  A  105  .  ?        ?     ?     ?     ?     ?     ?  ?     
 88  1  1  A  100  LEU  A  106  .  ?        ?     ?     ?     ?     ?     ?  ?     
 89  1  1  A  101  PRO  A  107  .  ?        ?     ?     ?     ?     ?     ?  ?     
 90  1  1  A  102  ASP  A  108  .  ?        ?     ?     ?     ?     ?     ?  ?     
 91  1  1  A  103  LEU  A  109  .  ?        ?     ?     ?     ?     ?     ?  ?     
 92  1  1  A  104  TYR  A  110  .  ?        ?     ?     ?     ?     ?     ?  ?     
 93  1  1  A  105  ASP  A  111  .  ?        ?     ?     ?     ?     ?     ?  ?     
 94  1  1  A  106  TYR  A  112  .  ?        ?     ?     ?     ?     ?     ?  ?     
 95  1  1  A  107  LYS  A  113  .  ?        ?     ?     ?     ?     ?     ?  ?     
 96  1  1  A  108  GLU  A  114  .  ?        ?     ?     ?     ?     ?     ?  ?     
 97  1  1  A  109  ASN  A  115  .  ?        ?     ?     ?     ?     ?     ?  ?     
 98  1  1  A  110  ARG  A  116  .  ?        ?     ?     ?     ?     ?     ?  ?     
 99  1  1  A  111  PHE  A  117  .  ?        ?     ?     ?     ?     ?     ?  ?     
100  1  1  A  112  ILE  A  118  .  ?        ?     ?     ?     ?     ?     ?  ?     
101  1  1  A  113  GLU  A  119  .  ?        ?     ?     ?     ?     ?     ?  ?     
102  1  1  A  114  ILE  A  120  .  ?        ?     ?     ?     ?     ?     ?  ?     
103  1  1  A  115  GLY  A  121  .  ?        ?     ?     ?     ?     ?     ?  ?     
104  1  1  A  116  VAL  A  122  .  ?        ?     ?     ?     ?     ?     ?  ?     
105  1  1  A  117  THR  A  123  .  ?        1     ?     ?     ?     ?     ?  ?     
106  1  1  A  118  ARG  A  124  .  ?        1     ?     ?     ?     ?     ?  ?     
107  1  1  A  119  ARG  A  125  .  ?        2     ?     1     ?     ?     ?  ?     
108  1  1  A  120  GLU  A  126  .  ?        ?     ?     ?     ?     ?     ?  ?     
109  1  1  A  121  VAL  A  127  .  ?        ?     ?     ?     ?     ?     ?  ?     
110  1  1  A  122  HIS  A  128  .  ?        ?     ?     ?     ?     ?     ?  ?     
111  1  1  A  123  ILE  A  129  .  ?        ?     ?     ?     ?     ?     ?  ?     
112  1  1  A  124  TYR  A  130  .  ?        1     ?     ?     ?     ?     ?  ?     
113  1  1  A  125  TYR  A  131  .  ?        ?     ?     ?     ?     ?     ?  ?     
114  1  1  A  126  LEU  A  132  .  ?        ?     ?     ?     ?     ?     ?  ?     
115  1  1  A  127  GLU  A  133  .  ?        ?     ?     ?     ?     ?     ?  ?     
116  1  1  A  128  LYS  A  134  .  ?        ?     ?     ?     ?     ?     ?  ?     
117  1  1  A  129  ALA  A  135  .  ?        ?     ?     ?     ?     ?     ?  ?     
118  1  1  A  130  ASN  A  136  .  ?        ?     ?     ?     ?     ?     ?  ?     
119  1  1  A  131  LYS  A  137  .  ?        ?     ?     ?     ?     ?     ?  ?     
120  1  1  A  132  ILE  A  138  .  ?        1     ?     ?     ?     ?     ?  ?     
121  1  1  A  135  GLU  A  141  .  ?        1     ?     ?     ?     ?     ?  ?     
122  1  1  A  136  LYS  A  142  .  ?        ?     ?     ?     ?     ?     ?  ?     
123  1  1  A  137  THR  A  143  .  ?        ?     ?     ?     ?     ?     ?  ?     
124  1  1  A  138  HIS  A  144  .  ?        1     ?     ?     ?     ?     ?  ?     
125  1  1  A  139  ILE  A  145  .  ?        ?     ?     ?     ?     ?     ?  ?     
126  1  1  A  140  HIS  A  146  .  ?        ?     ?     ?     ?     ?     ?  ?     
127  1  1  A  141  ILE  A  147  .  ?        ?     ?     ?     ?     ?     ?  ?     
128  1  1  A  142  PHE  A  148  .  ?        ?     ?     ?     ?     ?     ?  ?     
129  1  1  A  143  SER  A  149  .  ?        ?     ?     ?     ?     ?     ?  ?     
130  1  1  A  144  PHE  A  150  .  ?        ?     ?     ?     ?     ?     ?  ?     
131  1  1  A  145  THR  A  151  .  ?        ?     ?     ?     ?     ?     ?  ?     
132  1  1  A  146  GLY  A  152  .  ?        ?     ?     ?     ?     ?     ?  ?     
133  1  1  A  147  GLU  A  153  .  ?        ?     ?     ?     ?     ?     ?  ?     
134  1  1  A  148  GLU  A  154  .  ?        1     ?     ?     ?     ?     ?  ?     
135  1  1  A  149  MET  A  155  .  ?        ?     ?     ?     ?     ?     ?  ?     
136  1  1  A  150  ALA  A  156  .  ?        ?     ?     ?     ?     ?     ?  ?     
137  1  1  A  151  THR  A  157  .  ?        1     ?     ?     ?     ?     ?  ?     
138  1  1  A  152  LYS  A  158  .  ?        ?     ?     ?     ?     ?     ?  ?     
139  1  1  A  153  ALA  A  159  .  ?        ?     ?     ?     ?     ?     ?  ?     
140  1  1  A  154  ASP  A  160  .  ?        ?     ?     ?     ?     ?     ?  ?     
141  1  1  A  155  TYR  A  161  .  ?        2     ?     ?     ?     ?     ?  ?     
142  1  1  A  156  THR  A  162  .  ?        ?     ?     ?     ?     ?     ?  ?     
143  1  1  A  157  LEU  A  163  .  ?        ?     ?     ?     ?     ?     ?  ?     
144  1  1  A  158  ASP  A  164  .  ?        ?     ?     ?     ?     ?     ?  ?     
145  1  1  A  159  GLU  A  165  .  ?        ?     ?     ?     ?     ?     ?  ?     
146  1  1  A  160  GLU  A  166  .  ?        ?     ?     ?     ?     ?     ?  ?     
147  1  1  A  161  SER  A  167  .  ?        ?     ?     ?     ?     ?     ?  ?     
148  1  1  A  162  ARG  A  168  .  ?        1     ?     ?     ?     ?     ?  ?     
149  1  1  A  163  ALA  A  169  .  ?        ?     ?     ?     ?     ?     ?  ?     
150  1  1  A  164  ARG  A  170  .  ?        ?     ?     ?     ?     ?     ?  ?     
151  1  1  A  165  ILE  A  171  .  ?        ?     ?     ?     ?     ?     ?  ?     
152  1  1  A  166  LYS  A  172  .  ?        ?     ?     ?     ?     ?     ?  ?     
153  1  1  A  167  THR  A  173  .  ?        ?     ?     ?     ?     ?     ?  ?     
154  1  1  A  168  ARG  A  174  .  ?        ?     ?     1     ?     ?     ?  ?     
155  1  1  A  169  LEU  A  175  .  ?        ?     ?     ?     ?     ?     ?  ?     
156  1  1  A  170  PHE  A  176  .  ?        ?     ?     ?     ?     ?     ?  ?     
157  1  1  A  171  THR  A  177  .  ?        ?     ?     ?     ?     ?     ?  ?     
158  1  1  A  172  ILE  A  178  .  ?        ?     ?     ?     ?     ?     ?  ?     
159  1  1  A  173  ARG  A  179  .  ?        ?     ?     ?     ?     ?     ?  ?     
160  1  1  A  174  GLN  A  180  .  ?        ?     ?     ?     ?     ?     ?  ?     
161  1  1  A  175  GLU  A  181  .  ?        ?     ?     ?     ?     ?     ?  ?     
162  1  1  A  176  MET  A  182  .  ?        ?     ?     ?     ?     ?     ?  ?     
163  1  1  A  177  ALA  A  183  .  ?        ?     ?     ?     ?     ?     ?  ?     
164  1  1  A  178  SER  A  184  .  ?        ?     ?     ?     ?     ?     ?  ?     
165  1  1  A  179  ARG  A  185  .  ?        ?     ?     ?     ?     ?     ?  ?     
166  1  1  A  180  SER  A  186  .  ?        ?     ?     ?     ?     ?     ?  ?     
167  1  1  A  181  LEU  A  187  .  ?        ?     ?     ?     ?     ?     ?  ?     
168  1  1  A  182  TRP  A  188  .  ?        ?     ?     ?     ?     ?     ?  ?     
169  1  1  A  183  ASP  A  189  .  ?        ?     ?     ?     ?     ?     ?  ?     
170  1  1  A  184  SER  A  190  .  ?        ?     ?     ?     ?     ?     ?  ?     
171  1  1  A  185  PHE  A  191  .  ?        ?     ?     ?     ?     ?     ?  ?     
172  1  1  A  186  ARG  A  192  .  ?        ?     1     ?     ?     ?     ?  ?     
173  1  1  A  187  GLN  A  193  .  ?        ?     ?     ?     ?     ?     ?  ?     
174  1  1  A  188  SER  A  194  .  ?        ?     ?     ?     ?     ?     ?  ?     
175  1  1  A  189  GLU  A  195  .  ?        1     ?     ?     ?     ?     ?  ?     
176  1  1  A  190  ARG  A  196  .  ?        4     ?     1     ?     ?     ?  ?     
177  1  2  B    .  MN   A  301  .  ?        ?     ?     ?     ?     ?     ?  ?     
178  1  2  C    .  MN   A  302  .  ?        ?     ?     ?     ?     ?     ?  ?     
179  1  3  D    .  G5V  A  303  .  ?        ?     ?     ?     4     2     4  Y     
180  1  4  E    .  HOH  A  401  .  ?        ?     ?     ?     ?     ?     ?  ?     
181  1  4  E    .  HOH  A  402  .  ?        ?     ?     ?     ?     ?     ?  ?     
182  1  4  E    .  HOH  A  403  .  ?        ?     ?     ?     ?     ?     ?  ?     
183  1  4  E    .  HOH  A  404  .  ?        ?     ?     ?     ?     ?     ?  ?     
184  1  4  E    .  HOH  A  405  .  ?        ?     ?     ?     ?     ?     ?  ?     
185  1  4  E    .  HOH  A  406  .  ?        ?     ?     ?     ?     ?     ?  ?     
186  1  4  E    .  HOH  A  407  .  ?        ?     ?     ?     ?     ?     ?  ?     
187  1  4  E    .  HOH  A  408  .  ?        ?     ?     ?     ?     ?     ?  ?     
188  1  4  E    .  HOH  A  409  .  ?        ?     ?     ?     ?     ?     ?  ?     
189  1  4  E    .  HOH  A  410  .  ?        ?     ?     ?     ?     ?     ?  ?     
190  1  4  E    .  HOH  A  411  .  ?        ?     ?     ?     ?     ?     ?  ?     
#
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  72.060     8  0.95    10  0.84  molprobity  1.000  
  2    2  ?         -60.1   -42.5  Favored     5  47.870     5  0.42     7  0.85  molprobity  1.000  
  3    3  tpp       -64.3   -38.0  Favored     9  40.490     8  0.59    10  0.63  molprobity  1.000  
  4    4  tt0       -66.5   -39.5  Favored     6  47.210     9  0.32    12  0.46  molprobity  1.000  
  5    5  m-20      -64.4   -45.6  Favored     4  47.420     8  0.45    11  0.62  molprobity  1.000  
  6    6  t80       -52.6   -49.2  Favored     9  38.930    12  0.33    16  0.65  molprobity  1.000  
  7    7  t         -60.3   -48.3  Favored     9  38.130     7  0.42    10  0.38  molprobity  1.000  
  8    8  mtt85     -65.8   -29.2  Favored    13  53.030    11  0.75    14  0.75  molprobity  1.000  
  9    9  mt-30     -86.6   -24.1  Favored     8  55.070     9  0.66    12  0.71  molprobity  1.000  
 10   10  m        -114.4    -9.5  Favored     5  51.020     6  0.62     8  0.77  molprobity  1.000  
 11   11  m-85     -111.8   145.9  Favored     9  37.000    12  0.33    16  0.53  molprobity  1.000  
 12   12  OUTLIER   -65.9   150.2  Favored     6  56.190     8  0.29    12  1.00  molprobity  1.000  
 13   13  Cg_exo    -61.6   -26.9  Favored     7  45.870     8  0.59    11  0.70  molprobity  1.000  
 14   14  ttp       -63.8   -38.2  Favored     9  55.750     8  0.47    10  0.64  molprobity  1.000  
 15   15  mt        -69.0   -43.3  Favored    11  44.970     8  0.53    11  0.72  molprobity  1.000  
 16   16  t         -60.7   -46.7  Favored     9  39.750     7  0.47    10  0.46  molprobity  1.000  
 17   17  tt0       -61.8   -46.5  Favored     6  49.240     9  0.39    12  0.52  molprobity  1.000  
 18   18  mt        -58.9   -49.5  Favored    11  45.980     8  0.34    11  0.53  molprobity  1.000  
 19   19  ?         -61.4   -45.7  Favored     5  40.240     5  0.44     7  0.56  molprobity  1.000  
 20   20  mt-10     -57.0   -55.4  Favored     6  54.110     9  0.51    12  0.60  molprobity  1.000  
 21   21  ttpp      -50.0   -54.5  Favored    13  70.820     9  0.34    11  0.71  molprobity  1.000  
 22   22  ?         -51.4   -51.5  Favored     5  52.820     5  0.35     7  0.59  molprobity  1.000  
 23   23  mtp       -60.5   -50.2  Favored     9  49.380     8  0.40    10  0.48  molprobity  1.000  
 24   24  OUTLIER   -76.4   -17.6  Favored    13  72.640     9  0.70    11  1.32  molprobity  1.000  
 25   25  mt-10     -64.8   -34.9  Favored     6  69.960     9  0.46    12  0.56  molprobity  1.000  
 26   26  m-85     -102.4    23.3  Favored     9  75.680    13  0.41    18  0.63  molprobity  1.000  
 27   27  ?          73.0    20.1  Favored     3  62.040     4  0.30     5  0.25  molprobity  1.000  
 28   28  mt-10    -104.3   130.3  Favored     6  67.940     9  0.44    12  0.53  molprobity  1.000  
 29   29  t0        -89.9   114.3  Favored     4  50.170     8  0.44    12  0.58  molprobity  1.000  
 30   30  Cg_endo   -64.0   -18.0  Favored     7  45.180     8  0.40    11  0.55  molprobity  1.000  
 31   31  mttt      -80.7   -15.9  Favored    13  54.140     9  0.35    11  0.61  molprobity  1.000  
 32   32  mm       -101.0   -48.5  Favored    11  47.270     8  0.43    11  0.46  molprobity  1.000  
 33   33  mm-40     -95.8    70.1  Favored     6  49.030     9  0.50    12  0.70  molprobity  1.000  
 34   34  p         -76.0   -31.6  Favored     7  39.520     7  0.43    10  0.88  molprobity  1.000  
 35   35  m-20      -67.9   -40.6  Favored     6  34.960     8  0.53    11  0.76  molprobity  1.000  
 36   36  ttmt      -61.9   -47.5  Favored    13  45.510     9  0.35    11  0.61  molprobity  1.000  
 37   37  t80       -50.5   -53.3  Favored     9  37.370    12  0.34    16  0.79  molprobity  1.000  
 38   38  ?         -64.0   -36.5  Favored     5  32.000     5  0.96     7  0.66  molprobity  1.000  
 39   39  ?         -70.1   -40.3  Favored     5  28.580     5  0.40     7  0.61  molprobity  1.000  
 40   40  mt        -64.0   -44.6  Favored    11  34.000     8  0.44    11  0.62  molprobity  1.000  
 41   41  m         -60.6   -43.8  Favored     5  31.320     6  0.48     8  0.86  molprobity  1.000  
 42   42  m         -64.7   -51.8  Favored     7  28.530     7  0.70    10  0.85  molprobity  1.000  
 43   43  t-80      -57.0   -43.8  Favored     7  27.880    11  0.58    15  0.46  molprobity  1.000  
 44   44  OUTLIER   -61.7   -45.8  Favored    11  39.670     8  0.27    11  0.62  molprobity  1.000  
 45   45  tt0       -59.2   -46.5  Favored     6  42.090     9  0.84    12  0.71  molprobity  1.000  
 46   46  t         -57.5   -44.7  Favored     9  28.790     7  0.38    10  0.52  molprobity  1.000  
 47   47  m         -58.8   -40.3  Favored     5  30.850     6  0.89     8  0.48  molprobity  1.000  
 48   48  m-30      -72.5   -39.2  Favored     9  40.310    12  0.45    16  0.54  molprobity  1.000  
 49   49  mtp       -66.3   -41.5  Favored     9  38.090     8  0.95    10  0.72  molprobity  1.000  
 50   50  t80       -65.1   -47.2  Favored     9  31.960    13  0.74    18  1.23  molprobity  1.000  
 51   51  t         -54.0   -49.3  Favored     5  43.760     6  1.34     8  0.57  molprobity  1.000  
 52   52  m-20      -63.0   -38.8  Favored     4  53.110     8  0.28    11  0.58  molprobity  1.000  
 53   53  m-30      -81.9    66.6  Favored     9  66.070    12  0.35    16  0.52  molprobity  1.000  
 54   54  ?             ?       ?  ?           3  70.290     3  0.27     2  0.61  molprobity  1.000  
 55   55  OUTLIER       ?       ?  ?          12  96.170     9  0.27    11  0.68  molprobity  1.000  
 56   56  t-80      -74.3    82.5  Allowed     7  79.590    11  0.32    15  0.92  molprobity  1.000  
 57   57  ttt180    -80.2   -37.0  Favored    13  46.650    11  0.45    14  0.77  molprobity  1.000  
 58   58  m-85     -111.6   133.9  Favored     9  40.730    12  0.66    16  0.60  molprobity  1.000  
 59   59  tp10      -96.6   137.9  Favored     6  48.170     9  0.48    12  0.64  molprobity  1.000  
 60   60  tp       -100.2   124.1  Favored    11  41.500     8  0.53    11  0.64  molprobity  1.000  
 61   61  mt       -110.0   -40.9  Favored    11  39.680     8  0.33    11  0.55  molprobity  1.000  
 62   62  tp10      -63.1   142.1  Favored     6  36.510     9  0.51    12  0.39  molprobity  1.000  
 63   63  ?          93.7    -6.6  Favored     3  40.770     4  0.91     5  0.67  molprobity  1.000  
 64   64  mtt-85    -95.5   155.9  Favored    13  48.290    11  0.46    14  1.15  molprobity  1.000  
 65   65  p30       -61.4   160.8  Favored     4  47.400     8  0.48    11  1.09  molprobity  1.000  
 66   66  mtt180    -65.9   -37.1  Favored    13  52.940    11  0.46    14  0.65  molprobity  1.000  
 67   67  mt        -53.1   -55.1  Favored    11  43.720     8  0.50    11  0.67  molprobity  1.000  
 68   68  mmm       -67.2   -42.8  Favored     9  53.180     8  0.51    10  0.59  molprobity  1.000  
 69   69  ?         -57.8   -48.2  Favored     5  40.370     5  0.77     7  0.56  molprobity  1.000  
 70   70  m95       -70.6   -35.1  Favored    10  38.100    16  0.30    23  0.53  molprobity  1.000  
 71   71  m         -60.1   -45.2  Favored     7  39.620     7  0.30    10  0.48  molprobity  1.000  
 72   72  t         -64.9   -50.4  Favored     9  38.510     7  0.58    10  0.66  molprobity  1.000  
 73   73  t         -59.3   -45.8  Favored     9  41.350     7  0.37    10  0.40  molprobity  1.000  
 74   74  m-20      -58.3   -49.2  Favored     6  62.490     8  0.32    11  0.62  molprobity  1.000  
 75   75  t         -60.3   -40.1  Favored     5  49.920     6  1.07     8  0.93  molprobity  1.000  
 76   76  mt        -65.7   -39.3  Favored    11  43.790     8  0.31    11  0.26  molprobity  1.000  
 77   77  m         -66.6   -45.3  Favored     5  55.040     6  0.44     8  0.66  molprobity  1.000  
 78   78  m-20      -65.4   -29.0  Favored     6  59.920     8  0.27    11  0.58  molprobity  1.000  
 79   79  p        -100.1    -1.6  Favored     7  56.950     7  0.43    10  0.47  molprobity  1.000  
 80   80  p        -122.0   -33.6  Favored     7  54.580     7  0.46    10  0.63  molprobity  1.000  
 81   81  ?          99.2   -14.9  Favored     3  56.080     4  0.42     5  0.51  molprobity  1.000  
 82   82  m         -57.5   134.2  Favored     9  59.910     7  0.24    10  0.84  molprobity  1.000  
 83   83  tt0       -53.3   148.3  Favored     6  64.380     9  0.39    12  0.66  molprobity  1.000  
 84   84  OUTLIER   -91.2   123.7  Favored    13  67.940     9  0.45    12  1.09  molprobity  1.000  
 85   85  Cg_endo   -70.8   165.4  Favored     7  58.260     8  0.22    11  0.62  molprobity  1.000  
 86   86  OUTLIER   -92.0   -24.8  Favored    13  65.740     9  0.36    11  0.70  molprobity  1.000  
 87   87  m-85     -121.7   149.7  Favored     9  64.450    12  0.31    16  0.41  molprobity  1.000  
 88   88  mt        -66.4   118.4  Favored    11  38.690     8  0.57    12  0.75  molprobity  1.000  
 89   89  Cg_endo   -76.8  -171.2  Allowed     7  32.390     8  0.46    11  0.82  molprobity  1.000  
 90   90  m-20     -101.6   -41.4  Favored     4  32.550     8  0.60    11  0.74  molprobity  1.000  
 91   91  mt       -143.3   162.8  Favored    11  39.770     8  0.58    11  0.71  molprobity  1.000  
 92   92  t80      -117.9   135.1  Favored     9  42.880    13  0.43    18  0.73  molprobity  1.000  
 93   93  t0       -101.1   107.6  Favored     4  42.010     8  0.53    11  0.76  molprobity  1.000  
 94   94  m-85      -76.8   -15.2  Favored     9  46.080    13  0.61    18  0.83  molprobity  1.000  
 95   95  tttt      -81.9   -47.8  Favored    13  55.350     9  0.53    11  0.40  molprobity  1.000  
 96   96  mm-40     -92.3    -8.3  Favored     6  55.990     9  0.62    12  0.57  molprobity  1.000  
 97   97  m-80       55.0    54.8  Favored     6  51.810     8  0.48    11  0.82  molprobity  1.000  
 98   98  ptt180   -149.5   145.3  Favored    13  43.780    11  0.43    14  0.76  molprobity  1.000  
 99   99  m-85      -69.9   152.4  Favored     9  40.610    12  0.43    16  0.48  molprobity  1.000  
100  100  mt       -120.9   135.7  Favored    11  35.750     8  0.42    11  0.54  molprobity  1.000  
101  101  tp10     -106.5   123.3  Favored     6  33.880     9  0.92    12  0.75  molprobity  1.000  
102  102  mm        -99.0   129.6  Favored    11  35.790     8  0.84    11  0.76  molprobity  1.000  
103  103  ?        -119.5   140.9  Favored     3  29.280     4  0.42     5  0.41  molprobity  1.000  
104  104  t        -124.7   118.5  Favored     9  29.990     7  0.35    10  0.70  molprobity  1.000  
105  105  t        -126.7   146.6  Favored     7  30.720     7  0.40    10  0.63  molprobity  1.000  
106  106  OUTLIER   -96.5     0.1  Favored    13  40.210    11  0.72    14  1.77  molprobity  1.000  
107  107  mtm180    -95.4  -170.3  Favored    13  41.680    11  0.60    14  0.83  molprobity  1.000  
108  108  tp10      -67.9   137.4  Favored     6  56.090     9  0.66    12  0.59  molprobity  1.000  
109  109  m         -59.8   -37.8  Favored     9  40.240     7  0.63    10  0.73  molprobity  1.000  
110  110  p-80      -66.0   -39.3  Favored     7  49.760    11  0.54    15  0.67  molprobity  1.000  
111  111  mt        -59.1   -53.3  Favored    11  47.000     8  0.40    11  0.39  molprobity  1.000  
112  112  t80       -67.3   -37.8  Favored     9  40.910    13  0.46    18  0.52  molprobity  1.000  
113  113  t80       -55.1   -52.6  Favored     9  41.710    13  0.41    18  0.50  molprobity  1.000  
114  114  mt        -52.6   -46.0  Favored    11  41.640     8  0.29    11  0.59  molprobity  1.000  
115  115  tt0       -63.9   -38.9  Favored     6  48.520     9  0.72    12  0.92  molprobity  1.000  
116  116  mmtt      -73.2   -40.6  Favored    13  41.660     9  0.66    11  1.03  molprobity  1.000  
117  117  ?         -64.7   -40.3  Favored     5  46.930     5  0.61     7  0.91  molprobity  1.000  
118  118  t30       -64.7   -43.6  Favored     6  50.750     8  0.33    11  0.56  molprobity  1.000  
119  119  tttt      -63.3   -35.3  Favored    13  67.520     9  0.49    11  0.45  molprobity  1.000  
120  120  mt            ?       ?  ?          11  64.640     7  0.29     8  0.50  molprobity  1.000  
121  121  mm-40         ?       ?  ?           5  85.050     9  0.41    12  0.45  molprobity  1.000  
122  122  mmtp     -106.9    21.2  Favored    13  77.180     9  0.77    11  0.60  molprobity  1.000  
123  123  m         -80.6   125.6  Favored     7  46.450     7  0.38    10  0.52  molprobity  1.000  
124  124  t60       -70.0   137.5  Favored     7  40.210    11  0.77    15  0.45  molprobity  1.000  
125  125  mt       -114.4   136.7  Favored    11  36.210     8  0.34    11  0.56  molprobity  1.000  
126  126  t-160    -139.5   109.9  Favored     7  32.700    11  0.46    15  0.75  molprobity  1.000  
127  127  mm       -101.2   134.2  Favored    11  33.360     8  0.35    11  0.72  molprobity  1.000  
128  128  m-85     -119.0   151.8  Favored     9  28.950    12  0.30    16  0.66  molprobity  1.000  
129  129  p        -119.2   172.9  Favored     5  32.890     6  1.30     8  0.68  molprobity  1.000  
130  130  m-85      -84.1    18.6  Favored     9  31.380    12  0.54    16  0.76  molprobity  1.000  
131  131  p        -125.4    -1.9  Favored     7  36.560     7  0.35    10  0.85  molprobity  1.000  
132  132  ?          89.6    16.7  Favored     3  38.110     4  0.56     5  0.46  molprobity  1.000  
133  133  mt-10    -100.2   151.0  Favored     6  48.530     9  0.52    12  0.60  molprobity  1.000  
134  134  pt-20    -143.8   157.8  Favored     6  41.540     9  1.14    12  0.90  molprobity  1.000  
135  135  ttm      -143.4   137.7  Favored     9  41.350     8  0.69    10  0.77  molprobity  1.000  
136  136  ?        -139.8   150.2  Favored     5  38.850     5  0.33     7  0.62  molprobity  1.000  
137  137  m         -46.2   124.1  Favored     7  43.730     7  0.28    10  0.56  molprobity  1.000  
138  138  mttt       61.2    24.9  Favored    13  56.750     9  0.26    11  0.82  molprobity  1.000  
139  139  ?          44.0    38.5  Favored     5  50.900     5  0.50     7  0.65  molprobity  1.000  
140  140  t0        -97.9   112.5  Favored     4  43.240     8  0.85    11  0.79  molprobity  1.000  
141  141  m-85      -90.6    -0.9  Favored     9  41.880    13  0.50    18  1.14  molprobity  1.000  
142  142  m          66.0   -60.3  Allowed     7  41.320     7  0.39    10  0.48  molprobity  1.000  
143  143  mt        -87.2   161.3  Favored    11  43.610     8  0.24    11  0.61  molprobity  1.000  
144  144  p-10      -71.8   166.0  Favored     4  46.580     8  0.44    11  1.39  molprobity  1.000  
145  145  mm-40     -64.9   -33.5  Favored     6  55.890     9  0.60    12  0.37  molprobity  1.000  
146  146  tt0       -72.0   -40.4  Favored     6  49.510     9  0.63    12  0.30  molprobity  1.000  
147  147  m         -64.9   -48.1  Favored     5  34.480     6  0.84     8  0.61  molprobity  1.000  
148  148  mtm180    -58.9   -43.6  Favored    13  42.980    11  0.46    14  1.09  molprobity  1.000  
149  149  ?         -64.9   -36.9  Favored     5  32.250     5  0.92     7  0.55  molprobity  1.000  
150  150  mtt180    -65.8   -38.0  Favored    13  56.860    11  0.33    14  0.69  molprobity  1.000  
151  151  mt        -64.7   -48.3  Favored    11  32.060     8  0.35    11  0.53  molprobity  1.000  
152  152  mttt      -63.4   -39.2  Favored    13  34.200     9  0.40    11  0.51  molprobity  1.000  
153  153  m         -62.2   -43.9  Favored     7  30.020     7  0.77    10  0.61  molprobity  1.000  
154  154  tpt180    -60.3   -43.4  Favored    13  32.900    11  0.64    14  0.73  molprobity  1.000  
155  155  mt        -67.3   -43.8  Favored    11  28.640     8  0.44    11  0.57  molprobity  1.000  
156  156  t80       -64.4   -33.8  Favored     9  28.740    12  0.56    16  0.46  molprobity  1.000  
157  157  m         -70.8   -39.3  Favored     7  28.260     7  0.63    10  0.31  molprobity  1.000  
158  158  mt        -57.6   -48.4  Favored    11  29.720     8  0.63    11  0.69  molprobity  1.000  
159  159  ttt180    -54.0   -49.5  Favored    13  33.070    11  0.35    14  0.86  molprobity  1.000  
160  160  mm100     -72.4   -33.1  Favored     8  28.260     9  0.63    12  0.59  molprobity  1.000  
161  161  mm-40     -62.0   -46.9  Favored     6  42.920     9  0.78    12  0.58  molprobity  1.000  
162  162  mtt       -57.4   -48.0  Favored     9  34.780     8  0.32    10  0.82  molprobity  1.000  
163  163  ?         -62.2   -34.9  Favored     5  35.060     5  0.50     7  0.51  molprobity  1.000  
164  164  m         -57.2   -38.3  Favored     5  42.530     6  0.86     8  0.94  molprobity  1.000  
165  165  mtt180   -100.3    16.8  Favored    13  43.040    11  0.34    14  1.01  molprobity  1.000  
166  166  OUTLIER    54.0    39.1  Favored     5  42.460     6  0.47     8  0.52  molprobity  1.000  
167  167  mt       -110.4   -13.5  Favored    11  39.180     8  0.68    11  0.61  molprobity  1.000  
168  168  t-105     -64.9   -40.7  Favored    10  34.270    16  0.35    23  0.49  molprobity  1.000  
169  169  m-20      -61.4   -44.5  Favored     4  46.150     8  0.77    11  0.57  molprobity  1.000  
170  170  t         -61.7   -49.4  Favored     5  36.990     6  0.44     8  0.47  molprobity  1.000  
171  171  t80       -64.4   -39.0  Favored     9  32.340    12  0.58    16  0.83  molprobity  1.000  
172  172  ttp180    -66.0   -37.2  Favored    13  48.350    11  0.33    14  0.77  molprobity  1.000  
173  173  mt-30     -90.9    -3.1  Favored     8  41.690     9  0.50    12  0.43  molprobity  1.000  
174  174  t         -99.3  -179.2  Favored     5  47.830     6  0.85     8  1.40  molprobity  1.000  
175  175  OUTLIER  -143.6    47.6  Allowed     6  68.770     9  0.73    12  0.95  molprobity  1.000  
176  176  OUTLIER       ?       ?  ?          13  69.970    10  1.21    11  1.95  molprobity  1.000  
177  177  ?             ?       ?  ?           ?  32.380     ?     ?     ?     ?  ?           1.000  
178  178  ?             ?       ?  ?           ?  40.720     ?     ?     ?     ?  ?           1.000  
179  179  ?             ?       ?  ?           ?  47.240    11  2.68    10  2.27  mogul       1.000  
180  180  ?             ?       ?  ?           ?  39.570     ?     ?     ?     ?  ?           1.000  
181  181  ?             ?       ?  ?           ?  42.460     ?     ?     ?     ?  ?           1.000  
182  182  ?             ?       ?  ?           ?  28.520     ?     ?     ?     ?  ?           1.000  
183  183  ?             ?       ?  ?           ?  37.110     ?     ?     ?     ?  ?           1.000  
184  184  ?             ?       ?  ?           ?  43.740     ?     ?     ?     ?  ?           1.000  
185  185  ?             ?       ?  ?           ?  29.310     ?     ?     ?     ?  ?           1.000  
186  186  ?             ?       ?  ?           ?  37.110     ?     ?     ?     ?  ?           1.000  
187  187  ?             ?       ?  ?           ?  42.220     ?     ?     ?     ?  ?           1.000  
188  188  ?             ?       ?  ?           ?  45.030     ?     ?     ?     ?  ?           1.000  
189  189  ?             ?       ?  ?           ?  56.850     ?     ?     ?     ?  ?           1.000  
190  190  ?             ?       ?  ?           ?  58.800     ?     ?     ?     ?  ?           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    4  OE2    1  0.61  2.34  
 2    8  NH1    1  0.61  2.34  
 3   26  OH     2  0.55  2.39  
 4   66  NH1    2  0.55  2.39  
 5   68  O      3  0.46  2.16  
 6   72  HG23   3  0.46  2.16  
 7  105  HB     4  0.47  2.49  
 8  106  HD3    5  0.44  1.83  
 9  107  HH21   6  0.51  2.08  
10  107  HH21   7  0.47  1.61  
11  112  CD2    4  0.47  2.49  
12  120  C      8  0.56  2.43  
13  121  OE2    8  0.56  2.43  
14  124  CE1    9  0.55  2.41  
15  134  HG3   10  0.40  2.56  
16  137  HB     9  0.55  2.41  
17  141  HB3   11  0.42  2.02  
18  141  CE1   10  0.40  2.56  
19  148  HD3   11  0.42  2.02  
20  175  O     12  0.45  2.16  
21  176  NH2    6  0.51  2.08  
22  176  HH22   7  0.47  1.61  
23  176  HB2   12  0.45  2.16  
24  176  HH11   5  0.44  1.83  
#
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   32  O    0  1_555   0.06  2.14  
2  172  NH1  0  12_567  0.06  2.14  
#
loop_
_pdbx_vrpt_instance_intra_plane_outliers.ordinal
_pdbx_vrpt_instance_intra_plane_outliers.instance_id
_pdbx_vrpt_instance_intra_plane_outliers.type
_pdbx_vrpt_instance_intra_plane_outliers.plane_rmsd
1  107  sidechain  0.08  
2  154  sidechain  0.09  
3  176  sidechain  0.09  
#
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  179  OAL  CAJ  1.20  1.30  3527  0.03  -3.42  0.00  
2  179  CAF  CAJ  1.42  1.48   114  0.02  -2.53  0.00  
3  179  CAF  CAG  1.39  1.46   247  0.03  -2.12  0.01  
4  179  CAI  CAE  1.35  1.49  2366  0.02  -7.08  0.01  
#
loop_
_pdbx_vrpt_instance_mogul_angle_outliers.ordinal
_pdbx_vrpt_instance_mogul_angle_outliers.instance_id
_pdbx_vrpt_instance_mogul_angle_outliers.atom_1
_pdbx_vrpt_instance_mogul_angle_outliers.atom_2
_pdbx_vrpt_instance_mogul_angle_outliers.atom_3
_pdbx_vrpt_instance_mogul_angle_outliers.obsval
_pdbx_vrpt_instance_mogul_angle_outliers.mean
_pdbx_vrpt_instance_mogul_angle_outliers.numobs
_pdbx_vrpt_instance_mogul_angle_outliers.stdev
_pdbx_vrpt_instance_mogul_angle_outliers.Zscore
_pdbx_vrpt_instance_mogul_angle_outliers.mindiff
1  179  OAL  CAJ  OAK  112.98  123.61  3537  2.29  -4.65  0.08  
2  179  OAL  CAJ  CAF  127.40  116.72   107  2.52   4.25  4.12  
#
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  179  CAG  CAF  CAJ  OAK   82.89  89.89  336   7.78  22.27  0.00  
2  179  CAE  CAF  CAJ  OAK  -97.13  83.09   42  18.54  19.78  0.00  
3  179  CAG  CAF  CAJ  OAL  -94.69  88.14  331   6.66  23.89  0.00  
4  179  CAE  CAF  CAJ  OAL   85.28  79.30   41  20.37  21.40  0.00  
#
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  0.606  0.284   2.963  
  2    2   5  0.932  0.111  -0.095  
  3    3   8  0.952  0.119  -0.064  
  4    4   9  0.879  0.147  -0.125  
  5    5   8  0.928  0.120  -0.190  
  6    6  11  0.948  0.098  -0.461  
  7    7   7  0.942  0.114  -0.196  
  8    8  11  0.916  0.121  -0.390  
  9    9   9  0.876  0.161   0.266  
 10   10   6  0.857  0.112   0.151  
 11   11  11  0.953  0.096  -0.502  
 12   12   8  0.874  0.140   0.175  
 13   13   7  0.945  0.139   0.364  
 14   14   8  0.925  0.129   0.119  
 15   15   8  0.912  0.100  -0.576  
 16   16   7  0.965  0.089  -0.700  
 17   17   9  0.869  0.199   0.582  
 18   18   8  0.969  0.102  -0.534  
 19   19   5  0.976  0.073  -0.801  
 20   20   9  0.890  0.146  -0.139  
 21   21   9  0.927  0.293   1.796  
 22   22   5  0.925  0.092  -0.448  
 23   23   8  0.941  0.091  -0.578  
 24   24   9  0.945  0.318   2.138  
 25   25   9  0.892  0.173   0.228  
 26   26  12  0.828  0.223   2.226  
 27   27   4  0.871  0.129   0.231  
 28   28   9  0.868  0.168   0.160  
 29   29   8  0.910  0.113  -0.297  
 30   30   7  0.945  0.077  -0.722  
 31   31   9  0.935  0.137  -0.341  
 32   32   8  0.969  0.110  -0.371  
 33   33   9  0.902  0.150  -0.084  
 34   34   7  0.946  0.102  -0.323  
 35   35   8  0.960  0.092  -0.587  
 36   36   9  0.956  0.124  -0.519  
 37   37  11  0.927  0.090  -0.626  
 38   38   5  0.940  0.130   0.258  
 39   39   5  0.942  0.126   0.184  
 40   40   8  0.959  0.094  -0.699  
 41   41   6  0.976  0.062  -0.993  
 42   42   7  0.949  0.092  -0.508  
 43   43  10  0.979  0.101  -0.387  
 44   44   8  0.955  0.116  -0.252  
 45   45   9  0.966  0.113  -0.587  
 46   46   7  0.966  0.127   0.067  
 47   47   6  0.967  0.086  -0.444  
 48   48  11  0.963  0.108  -0.254  
 49   49   8  0.944  0.128   0.101  
 50   50  12  0.956  0.093  -0.522  
 51   51   6  0.924  0.158   0.614  
 52   52   8  0.902  0.124  -0.129  
 53   53  11  0.837  0.169   1.006  
 54   54   4  0.670  0.166   0.855  
 55   55   9  0.686  0.346   2.522  
 56   56  10  0.824  0.269   2.427  
 57   57  11  0.854  0.111  -0.538  
 58   58  11  0.938  0.110  -0.213  
 59   59   9  0.933  0.109  -0.641  
 60   60   8  0.951  0.189   1.248  
 61   61   8  0.958  0.093  -0.719  
 62   62   9  0.973  0.097  -0.804  
 63   63   4  0.976  0.106  -0.157  
 64   64  11  0.908  0.112  -0.523  
 65   65   8  0.939  0.122  -0.160  
 66   66  11  0.829  0.149   0.024  
 67   67   8  0.964  0.121  -0.145  
 68   68   8  0.933  0.120  -0.046  
 69   69   5  0.972  0.063  -0.987  
 70   70  14  0.951  0.093  -0.485  
 71   71   7  0.936  0.098  -0.397  
 72   72   7  0.956  0.102  -0.438  
 73   73   7  0.924  0.099  -0.498  
 74   74   8  0.891  0.159   0.476  
 75   75   6  0.955  0.097  -0.429  
 76   76   8  0.934  0.080  -0.986  
 77   77   6  0.920  0.076  -0.673  
 78   78   8  0.902  0.156   0.429  
 79   79   7  0.897  0.154   0.638  
 80   80   7  0.858  0.175   1.026  
 81   81   4  0.865  0.106  -0.157  
 82   82   7  0.904  0.180   1.135  
 83   83   9  0.874  0.155  -0.016  
 84   84   9  0.902  0.169   0.097  
 85   85   7  0.958  0.093  -0.441  
 86   86   9  0.879  0.218   0.768  
 87   87  11  0.924  0.144   0.490  
 88   88   8  0.950  0.117  -0.232  
 89   89   7  0.979  0.080  -0.669  
 90   90   8  0.938  0.107  -0.388  
 91   91   8  0.935  0.120  -0.171  
 92   92  12  0.925  0.129   0.239  
 93   93   8  0.927  0.094  -0.586  
 94   94  12  0.948  0.102  -0.332  
 95   95   9  0.935  0.119  -0.588  
 96   96   9  0.917  0.120  -0.492  
 97   97   8  0.880  0.103  -0.413  
 98   98  11  0.885  0.100  -0.700  
 99   99  11  0.893  0.095  -0.523  
100  100   8  0.973  0.095  -0.678  
101  101   9  0.952  0.085  -0.967  
102  102   8  0.954  0.105  -0.473  
103  103   4  0.922  0.113  -0.039  
104  104   7  0.960  0.110  -0.276  
105  105   7  0.954  0.122   0.046  
106  106  11  0.917  0.157   0.142  
107  107  11  0.924  0.111  -0.538  
108  108   9  0.881  0.195   0.527  
109  109   7  0.958  0.086  -0.760  
110  110  10  0.883  0.133   0.149  
111  111   8  0.956  0.129   0.018  
112  112  12  0.938  0.102  -0.332  
113  113  12  0.929  0.112  -0.121  
114  114   8  0.961  0.095  -0.675  
115  115   9  0.928  0.165   0.120  
116  116   9  0.938  0.131  -0.423  
117  117   5  0.936  0.111  -0.095  
118  118   8  0.902  0.137   0.127  
119  119   9  0.911  0.208   0.632  
120  120   8  0.853  0.185   1.166  
121  121   9  0.684  0.191   0.473  
122  122   9  0.777  0.228   0.905  
123  123   7  0.966  0.092  -0.508  
124  124  10  0.946  0.097  -0.454  
125  125   8  0.961  0.091  -0.760  
126  126  10  0.977  0.111  -0.219  
127  127   8  0.970  0.096  -0.658  
128  128  11  0.947  0.091  -0.605  
129  129   6  0.964  0.111  -0.190  
130  130  11  0.969  0.113  -0.151  
131  131   7  0.905  0.110  -0.176  
132  132   4  0.961  0.109  -0.106  
133  133   9  0.918  0.190   0.459  
134  134   9  0.958  0.091  -0.886  
135  135   8  0.966  0.091  -0.578  
136  136   5  0.955  0.065  -0.950  
137  137   7  0.930  0.080  -0.730  
138  138   9  0.873  0.188   0.358  
139  139   5  0.953  0.108  -0.151  
140  140   8  0.922  0.113  -0.297  
141  141  12  0.934  0.113  -0.099  
142  142   7  0.932  0.086  -0.619  
143  143   8  0.934  0.100  -0.575  
144  144   8  0.968  0.076  -0.860  
145  145   9  0.914  0.182   0.351  
146  146   9  0.906  0.128  -0.383  
147  147   6  0.953  0.081  -0.703  
148  148  11  0.938  0.125  -0.331  
149  149   5  0.977  0.121   0.091  
150  150  11  0.899  0.210   0.925  
151  151   8  0.950  0.131   0.059  
152  152   9  0.931  0.155  -0.095  
153  153   7  0.957  0.106  -0.250  
154  154  11  0.952  0.115  -0.479  
155  155   8  0.943  0.165   0.736  
156  156  11  0.967  0.129   0.180  
157  157   7  0.973  0.088  -0.582  
158  158   8  0.967  0.147   0.387  
159  159  11  0.939  0.132  -0.227  
160  160   9  0.958  0.104  -0.580  
161  161   9  0.952  0.106  -0.682  
162  162   8  0.938  0.146   0.431  
163  163   5  0.973  0.089  -0.504  
164  164   6  0.811  0.140   0.306  
165  165  11  0.908  0.105  -0.626  
166  166   6  0.952  0.101  -0.361  
167  167   8  0.961  0.087  -0.837  
168  168  14  0.947  0.097  -0.394  
169  169   8  0.912  0.144   0.175  
170  170   6  0.959  0.087  -0.600  
171  171  11  0.950  0.098  -0.461  
172  172  11  0.829  0.162   0.216  
173  173   9  0.941  0.124  -0.283  
174  174   6  0.962  0.123   0.015  
175  175   9  0.682  0.238   1.111  
176  176  11  0.561  0.340   2.845  
177  177   1  0.998  0.126       ?  
178  178   1  0.991  0.077       ?  
179  179  12  0.924  0.126       ?  
180  180   1  0.817  0.110       ?  
181  181   1  0.858  0.112       ?  
182  182   1  0.978  0.098       ?  
183  183   1  0.986  0.067       ?  
184  184   1  0.767  0.203       ?  
185  185   1  0.740  0.149       ?  
186  186   1  0.978  0.111       ?  
187  187   1  0.407  0.231       ?  
188  188   1  0.939  0.098       ?  
189  189   1  0.611  0.515       ?  
190  190   1  0.687  0.280       ?  
#
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          2.35.1                                                                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  
##
