data_4QO0

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  4QO0
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    4QO0
_pdbx_vrpt_summary.PDB_deposition_date         2014-06-19
_pdbx_vrpt_summary.PDB_revision_number         4
_pdbx_vrpt_summary.PDB_revision_date           2023-09-20
_pdbx_vrpt_summary.report_creation_date        2023-09-13:19:57
_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      "Rhomboid protease GlpG"  
2  polymer      ACE-PHE-ALA-THR-ALA-0QE  
3  non-polymer  "CHLORIDE ION"  
4  non-polymer  "nonyl beta-D-glucopyranoside"  
5  water        water  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  2  
C  3  
D  4  
E  4  
F  5  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all  x-ray  
2  2.9  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   22.90  141614     ?     ?  
 2  2  1   51.75    2172  2.90  2.90  
 3  1  2  100.00  138981     ?     ?  
 4  2  2  100.00    2115  2.90  2.90  
 5  1  3   66.62  138945     ?     ?  
 6  2  3   88.52    2117  2.90  2.90  
 7  1  4  100.00  127900     ?     ?  
 8  2  4  100.00    1906  2.90  2.90  
 9  1  5   68.17  130704     ?     ?  
10  2  5   94.68    1957  2.90  2.90  
#
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   66.62  
 4  6  3  A  1  1  A   88.52  
 5  7  4  A  1  1  A  100.00  
 6  8  4  A  1  1  A  100.00  
 7  3  2  B  1  2  F  100.00  
 8  4  2  B  1  2  F  100.00  
 9  5  3  B  1  2  F  100.00  
10  6  3  B  1  2  F  100.00  
11  7  4  B  1  2  F  100.00  
12  8  4  B  1  2  F  100.00  
#
loop_
_pdbx_vrpt_summary_entity_geometry.ordinal
_pdbx_vrpt_summary_entity_geometry.PDB_model_num
_pdbx_vrpt_summary_entity_geometry.entity_id
_pdbx_vrpt_summary_entity_geometry.label_asym_id
_pdbx_vrpt_summary_entity_geometry.auth_asym_id
_pdbx_vrpt_summary_entity_geometry.angles_RMSZ
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ
1  1  1  A  A  0.59  0.76  1506  2048  
2  1  2  B  F  1.30  2.21    29    39  
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  0.00
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       1.35
_pdbx_vrpt_summary_geometry.clashscore                     11.42
_pdbx_vrpt_summary_geometry.num_H_reduce                   1551
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 1535
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.81
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                2087
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.61
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.Babinet_b                 154.835
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            46.797
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         60.469
_pdbx_vrpt_summary_diffraction.I_over_sigma              3.52(2.91A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        8086
_pdbx_vrpt_summary_diffraction.Babinet_k                 0.082
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.344
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.468
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.296
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.943
_pdbx_vrpt_summary_diffraction.twin_fraction             h,-h-k,-l:0.093
_pdbx_vrpt_summary_diffraction.DCC_R                     0.19
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.22
_pdbx_vrpt_summary_diffraction.EDS_R                     0.19
_pdbx_vrpt_summary_diffraction.EDS_res_high              2.90
_pdbx_vrpt_summary_diffraction.EDS_res_low               51.79
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[56.295,56.295,70.760,-0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.237
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 5.58% 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         1
_pdbx_vrpt_summary_diffraction.centric_outliers          0
_pdbx_vrpt_summary_diffraction.data_completeness         99.91
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      405
_pdbx_vrpt_summary_diffraction.percent_free_reflections  5.01
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     0.00
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       2.90
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        51.79
_pdbx_vrpt_summary_diffraction.PDB_R                     0.18
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.22
#
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_bond_outliers
_pdbx_vrpt_model_instance.count_angle_outliers
_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    4  ARG  A   90  .  ?        1     2     ?     ?     ?     ?  
  2  1  1  A    5  GLU  A   91  .  ?        ?     ?     ?     ?     ?     ?  
  3  1  1  A    6  ARG  A   92  .  ?        ?     ?     ?     ?     ?     ?  
  4  1  1  A    7  ALA  A   93  .  ?        ?     ?     ?     ?     ?     ?  
  5  1  1  A    8  GLY  A   94  .  ?        ?     ?     ?     ?     ?     ?  
  6  1  1  A    9  PRO  A   95  .  ?        ?     ?     ?     ?     ?     ?  
  7  1  1  A   10  VAL  A   96  .  ?        ?     ?     ?     ?     ?     ?  
  8  1  1  A   11  THR  A   97  .  ?        ?     ?     ?     ?     ?     ?  
  9  1  1  A   12  TRP  A   98  .  ?        ?     ?     2     ?     ?     ?  
 10  1  1  A   13  VAL  A   99  .  ?        ?     ?     ?     ?     ?     ?  
 11  1  1  A   14  MET  A  100  .  ?        ?     ?     ?     ?     ?     ?  
 12  1  1  A   15  MET  A  101  .  ?        ?     ?     1     ?     ?     ?  
 13  1  1  A   16  ILE  A  102  .  ?        ?     ?     2     ?     ?     ?  
 14  1  1  A   17  ALA  A  103  .  ?        ?     ?     ?     ?     ?     ?  
 15  1  1  A   18  CYS  A  104  .  ?        ?     ?     ?     ?     ?     ?  
 16  1  1  A   19  VAL  A  105  .  ?        ?     ?     ?     ?     ?     ?  
 17  1  1  A   20  VAL  A  106  .  ?        ?     ?     ?     ?     ?     ?  
 18  1  1  A   21  VAL  A  107  .  ?        ?     ?     1     ?     ?     ?  
 19  1  1  A   22  PHE  A  108  .  ?        ?     ?     ?     ?     ?     ?  
 20  1  1  A   23  ILE  A  109  .  ?        ?     ?     ?     ?     ?     ?  
 21  1  1  A   24  ALA  A  110  .  ?        ?     ?     ?     ?     ?     ?  
 22  1  1  A   25  MET  A  111  .  ?        ?     ?     1     ?     ?     ?  
 23  1  1  A   26  GLN  A  112  .  ?        ?     ?     ?     ?     ?     ?  
 24  1  1  A   27  ILE  A  113  .  ?        ?     ?     ?     ?     ?     ?  
 25  1  1  A   28  LEU  A  114  .  ?        ?     ?     ?     ?     ?     ?  
 26  1  1  A   29  GLY  A  115  .  ?        ?     ?     ?     ?     ?     ?  
 27  1  1  A   30  ASP  A  116  .  ?        ?     ?     ?     ?     ?     ?  
 28  1  1  A   31  GLN  A  117  .  ?        ?     ?     ?     ?     ?     ?  
 29  1  1  A   32  GLU  A  118  .  ?        ?     ?     ?     ?     ?     ?  
 30  1  1  A   33  VAL  A  119  .  ?        ?     ?     ?     ?     ?     ?  
 31  1  1  A   34  MET  A  120  .  ?        ?     ?     5     ?     ?     ?  
 32  1  1  A   35  LEU  A  121  .  ?        ?     ?     ?     ?     ?     ?  
 33  1  1  A   36  TRP  A  122  .  ?        ?     ?     ?     ?     ?     ?  
 34  1  1  A   37  LEU  A  123  .  ?        ?     ?     ?     ?     ?     ?  
 35  1  1  A   38  ALA  A  124  .  ?        ?     ?     ?     ?     ?     ?  
 36  1  1  A   39  TRP  A  125  .  ?        ?     ?     ?     ?     ?     ?  
 37  1  1  A   40  PRO  A  126  .  ?        ?     ?     ?     ?     ?     ?  
 38  1  1  A   41  PHE  A  127  .  ?        ?     ?     ?     ?     ?     ?  
 39  1  1  A   42  ASP  A  128  .  ?        ?     ?     ?     ?     ?     ?  
 40  1  1  A   43  PRO  A  129  .  ?        ?     ?     ?     ?     ?     ?  
 41  1  1  A   44  THR  A  130  .  ?        ?     ?     ?     ?     ?     ?  
 42  1  1  A   45  LEU  A  131  .  ?        ?     ?     ?     ?     ?     ?  
 43  1  1  A   46  LYS  A  132  .  ?        ?     ?     ?     ?     ?     ?  
 44  1  1  A   47  PHE  A  133  .  ?        ?     ?     ?     ?     ?     ?  
 45  1  1  A   48  GLU  A  134  .  ?        ?     ?     ?     ?     ?     ?  
 46  1  1  A   49  PHE  A  135  .  ?        ?     ?     ?     ?     ?     ?  
 47  1  1  A   50  TRP  A  136  .  ?        ?     ?     ?     ?     ?     ?  
 48  1  1  A   51  ARG  A  137  .  ?        ?     ?     ?     ?     ?     ?  
 49  1  1  A   52  TYR  A  138  .  ?        ?     ?     ?     ?     ?     ?  
 50  1  1  A   53  PHE  A  139  .  ?        ?     ?     ?     ?     ?     ?  
 51  1  1  A   54  THR  A  140  .  ?        ?     ?     ?     ?     ?     ?  
 52  1  1  A   55  HIS  A  141  .  ?        ?     ?     1     ?     ?     ?  
 53  1  1  A   56  ALA  A  142  .  ?        ?     ?     ?     ?     ?     ?  
 54  1  1  A   57  LEU  A  143  .  ?        ?     ?     ?     ?     ?     ?  
 55  1  1  A   58  MET  A  144  .  ?        ?     ?     1     ?     ?     ?  
 56  1  1  A   59  HIS  A  145  .  ?        ?     ?     ?     ?     ?     ?  
 57  1  1  A   60  PHE  A  146  .  ?        ?     ?     ?     ?     ?     ?  
 58  1  1  A   61  SER  A  147  .  ?        ?     ?     ?     ?     ?     ?  
 59  1  1  A   62  LEU  A  148  .  ?        ?     ?     ?     ?     ?     ?  
 60  1  1  A   63  MET  A  149  .  ?        ?     ?     1     ?     ?     ?  
 61  1  1  A   64  HIS  A  150  .  ?        ?     ?     5     ?     ?     ?  
 62  1  1  A   65  ILE  A  151  .  ?        ?     ?     ?     ?     ?     ?  
 63  1  1  A   66  LEU  A  152  .  ?        ?     ?     ?     ?     ?     ?  
 64  1  1  A   67  PHE  A  153  .  ?        ?     ?     1     ?     ?     ?  
 65  1  1  A   68  ASN  A  154  .  ?        ?     ?     ?     ?     ?     ?  
 66  1  1  A   69  LEU  A  155  .  ?        ?     ?     1     ?     ?     ?  
 67  1  1  A   70  LEU  A  156  .  ?        ?     ?     ?     ?     ?     ?  
 68  1  1  A   71  TRP  A  157  .  ?        ?     ?     4     ?     ?     ?  
 69  1  1  A   72  TRP  A  158  .  ?        ?     ?     ?     ?     ?     ?  
 70  1  1  A   73  TRP  A  159  .  ?        ?     ?     ?     ?     ?     ?  
 71  1  1  A   74  TYR  A  160  .  ?        ?     ?     ?     ?     ?     ?  
 72  1  1  A   75  LEU  A  161  .  ?        ?     ?     1     ?     ?     ?  
 73  1  1  A   76  GLY  A  162  .  ?        ?     ?     ?     ?     ?     ?  
 74  1  1  A   77  GLY  A  163  .  ?        ?     ?     ?     ?     ?     ?  
 75  1  1  A   78  ALA  A  164  .  ?        ?     ?     ?     ?     ?     ?  
 76  1  1  A   79  VAL  A  165  .  ?        ?     ?     ?     ?     ?     ?  
 77  1  1  A   80  GLU  A  166  .  ?        ?     ?     1     ?     ?     ?  
 78  1  1  A   81  LYS  A  167  .  ?        ?     ?     2     ?     ?     ?  
 79  1  1  A   82  ARG  A  168  .  ?        ?     ?     2     ?     ?     ?  
 80  1  1  A   83  LEU  A  169  .  ?        ?     ?     1     ?     ?     ?  
 81  1  1  A   84  GLY  A  170  .  ?        ?     ?     ?     ?     ?     ?  
 82  1  1  A   85  SER  A  171  .  ?        ?     ?     1     ?     ?     ?  
 83  1  1  A   86  GLY  A  172  .  ?        ?     ?     ?     ?     ?     ?  
 84  1  1  A   87  LYS  A  173  .  ?        ?     ?     ?     ?     ?     ?  
 85  1  1  A   88  LEU  A  174  .  ?        ?     ?     ?     ?     ?     ?  
 86  1  1  A   89  ILE  A  175  .  ?        ?     ?     ?     ?     ?     ?  
 87  1  1  A   90  VAL  A  176  .  ?        ?     ?     ?     ?     ?     ?  
 88  1  1  A   91  ILE  A  177  .  ?        ?     ?     ?     ?     ?     ?  
 89  1  1  A   92  THR  A  178  .  ?        ?     ?     ?     ?     ?     ?  
 90  1  1  A   93  LEU  A  179  .  ?        ?     ?     ?     ?     ?     ?  
 91  1  1  A   94  ILE  A  180  .  ?        ?     ?     ?     ?     ?     ?  
 92  1  1  A   95  SER  A  181  .  ?        ?     ?     ?     ?     ?     ?  
 93  1  1  A   96  ALA  A  182  .  ?        ?     ?     ?     ?     ?     ?  
 94  1  1  A   97  LEU  A  183  .  ?        ?     ?     ?     ?     ?     ?  
 95  1  1  A   98  LEU  A  184  .  ?        ?     ?     ?     ?     ?     ?  
 96  1  1  A   99  SER  A  185  .  ?        ?     ?     ?     ?     ?     ?  
 97  1  1  A  100  GLY  A  186  .  ?        ?     ?     ?     ?     ?     ?  
 98  1  1  A  101  TYR  A  187  .  ?        ?     ?     ?     ?     ?     ?  
 99  1  1  A  102  VAL  A  188  .  ?        ?     ?     ?     ?     ?     ?  
100  1  1  A  103  GLN  A  189  .  ?        ?     ?     ?     ?     ?     ?  
101  1  1  A  104  GLN  A  190  .  ?        ?     ?     1     ?     ?     ?  
102  1  1  A  105  LYS  A  191  .  ?        ?     ?     ?     ?     ?     ?  
103  1  1  A  106  PHE  A  192  .  ?        ?     ?     ?     ?     ?     ?  
104  1  1  A  107  SER  A  193  .  ?        ?     ?     ?     ?     ?     ?  
105  1  1  A  108  GLY  A  194  .  ?        ?     ?     1     ?     ?     ?  
106  1  1  A  109  PRO  A  195  .  ?        ?     ?     ?     ?     ?     ?  
107  1  1  A  110  TRP  A  196  .  ?        ?     ?     4     ?     ?     ?  
108  1  1  A  111  PHE  A  197  .  ?        ?     ?     ?     ?     ?     ?  
109  1  1  A  112  GLY  A  198  .  ?        ?     ?     ?     ?     ?     ?  
110  1  1  A  113  GLY  A  199  .  ?        ?     ?     ?     ?     ?     ?  
111  1  1  A  114  LEU  A  200  .  ?        ?     ?     2     ?     ?     ?  
112  1  1  A  115  SER  A  201  .  ?        ?     ?     ?     ?     ?     ?  
113  1  1  A  116  GLY  A  202  .  ?        ?     ?     ?     ?     ?     ?  
114  1  1  A  117  VAL  A  203  .  ?        ?     ?     ?     ?     ?     ?  
115  1  1  A  118  VAL  A  204  .  ?        ?     ?     ?     ?     ?     ?  
116  1  1  A  119  TYR  A  205  .  ?        ?     ?     2     ?     ?     ?  
117  1  1  A  120  ALA  A  206  .  ?        ?     ?     ?     ?     ?     ?  
118  1  1  A  121  LEU  A  207  .  ?        ?     ?     ?     ?     ?     ?  
119  1  1  A  122  MET  A  208  .  ?        ?     ?     1     ?     ?     ?  
120  1  1  A  123  GLY  A  209  .  ?        ?     ?     ?     ?     ?     ?  
121  1  1  A  124  TYR  A  210  .  ?        ?     ?     ?     ?     ?     ?  
122  1  1  A  125  VAL  A  211  .  ?        ?     ?     1     ?     ?     ?  
123  1  1  A  126  TRP  A  212  .  ?        ?     ?     ?     ?     ?     ?  
124  1  1  A  127  LEU  A  213  .  ?        ?     ?     ?     ?     ?     ?  
125  1  1  A  128  ARG  A  214  .  ?        ?     ?     1     ?     ?     ?  
126  1  1  A  129  GLY  A  215  .  ?        ?     ?     ?     ?     ?     ?  
127  1  1  A  130  GLU  A  216  .  ?        ?     ?     ?     ?     ?     ?  
128  1  1  A  131  ARG  A  217  .  ?        ?     ?     1     ?     ?     ?  
129  1  1  A  132  ASP  A  218  .  ?        ?     ?     ?     ?     ?     ?  
130  1  1  A  133  PRO  A  219  .  ?        ?     ?     ?     ?     ?     ?  
131  1  1  A  134  GLN  A  220  .  ?        ?     ?     ?     ?     ?     ?  
132  1  1  A  135  SER  A  221  .  ?        ?     ?     ?     ?     ?     ?  
133  1  1  A  136  GLY  A  222  .  ?        ?     ?     1     ?     ?     ?  
134  1  1  A  137  ILE  A  223  .  ?        ?     ?     2     ?     ?     ?  
135  1  1  A  138  TYR  A  224  .  ?        ?     ?     ?     ?     ?     ?  
136  1  1  A  139  LEU  A  225  .  ?        ?     ?     ?     ?     ?     ?  
137  1  1  A  140  GLN  A  226  .  ?        ?     ?     ?     ?     ?     ?  
138  1  1  A  141  ARG  A  227  .  ?        ?     ?     ?     ?     ?     ?  
139  1  1  A  142  GLY  A  228  .  ?        ?     ?     ?     ?     ?     ?  
140  1  1  A  143  LEU  A  229  .  ?        ?     ?     3     ?     ?     ?  
141  1  1  A  144  ILE  A  230  .  ?        ?     ?     ?     ?     ?     ?  
142  1  1  A  145  ILE  A  231  .  ?        ?     ?     ?     ?     ?     ?  
143  1  1  A  146  PHE  A  232  .  ?        ?     ?     2     ?     ?     ?  
144  1  1  A  147  ALA  A  233  .  ?        ?     ?     ?     ?     ?     ?  
145  1  1  A  148  LEU  A  234  .  ?        ?     ?     ?     ?     ?     ?  
146  1  1  A  149  ILE  A  235  .  ?        ?     ?     ?     ?     ?     ?  
147  1  1  A  150  TRP  A  236  .  ?        ?     ?     ?     ?     ?     ?  
148  1  1  A  151  ILE  A  237  .  ?        ?     ?     ?     ?     ?     ?  
149  1  1  A  152  VAL  A  238  .  ?        ?     ?     ?     ?     ?     ?  
150  1  1  A  153  ALA  A  239  .  ?        ?     ?     ?     ?     ?     ?  
151  1  1  A  154  GLY  A  240  .  ?        ?     ?     ?     ?     ?     ?  
152  1  1  A  155  TRP  A  241  .  ?        ?     ?     ?     ?     ?     ?  
153  1  1  A  156  PHE  A  242  .  ?        ?     ?     ?     ?     ?     ?  
154  1  1  A  157  ASP  A  243  .  ?        ?     ?     ?     ?     ?     ?  
155  1  1  A  158  LEU  A  244  .  ?        ?     ?     ?     ?     ?     ?  
156  1  1  A  159  PHE  A  245  .  ?        ?     ?     ?     ?     ?     ?  
157  1  1  A  160  GLY  A  246  .  ?        ?     ?     ?     ?     ?     ?  
158  1  1  A  161  MET  A  247  .  ?        ?     ?     5     ?     ?     ?  
159  1  1  A  162  SER  A  248  .  ?        ?     ?     ?     ?     ?     ?  
160  1  1  A  163  MET  A  249  .  ?        ?     ?     ?     ?     ?     ?  
161  1  1  A  164  ALA  A  250  .  ?        ?     ?     ?     ?     ?     ?  
162  1  1  A  165  ASN  A  251  .  ?        ?     ?     ?     ?     ?     ?  
163  1  1  A  166  GLY  A  252  .  ?        ?     ?     ?     ?     ?     ?  
164  1  1  A  167  ALA  A  253  .  ?        ?     ?     ?     ?     ?     ?  
165  1  1  A  168  HIS  A  254  .  ?        ?     ?     2     ?     ?     ?  
166  1  1  A  169  ILE  A  255  .  ?        ?     ?     ?     ?     ?     ?  
167  1  1  A  170  ALA  A  256  .  ?        ?     ?     ?     ?     ?     ?  
168  1  1  A  171  GLY  A  257  .  ?        ?     ?     ?     ?     ?     ?  
169  1  1  A  172  LEU  A  258  .  ?        ?     ?     ?     ?     ?     ?  
170  1  1  A  173  ALA  A  259  .  ?        ?     ?     ?     ?     ?     ?  
171  1  1  A  174  VAL  A  260  .  ?        ?     ?     1     ?     ?     ?  
172  1  1  A  175  GLY  A  261  .  ?        ?     ?     ?     ?     ?     ?  
173  1  1  A  176  LEU  A  262  .  ?        ?     ?     ?     ?     ?     ?  
174  1  1  A  177  ALA  A  263  .  ?        ?     ?     ?     ?     ?     ?  
175  1  1  A  178  MET  A  264  .  ?        ?     ?     1     ?     ?     ?  
176  1  1  A  179  ALA  A  265  .  ?        ?     ?     ?     ?     ?     ?  
177  1  1  A  180  PHE  A  266  .  ?        ?     ?     1     ?     ?     ?  
178  1  1  A  181  VAL  A  267  .  ?        ?     ?     ?     ?     ?     ?  
179  1  1  A  182  ASP  A  268  .  ?        ?     ?     ?     ?     ?     ?  
180  1  1  A  183  SER  A  269  .  ?        ?     ?     ?     ?     ?     ?  
181  1  1  A  184  LEU  A  270  .  ?        ?     ?     ?     ?     ?     ?  
182  1  1  A  185  ASN  A  271  .  ?        ?     ?     ?     ?     ?     ?  
183  1  2  B    1  ACE  F    1  .  ?        ?     ?     ?     ?     ?     ?  
184  1  2  B    2  PHE  F    2  .  ?        ?     ?     1     ?     ?     ?  
185  1  2  B    3  ALA  F    3  .  ?        ?     ?     ?     ?     ?     ?  
186  1  2  B    4  THR  F    4  .  ?        ?     ?     ?     ?     ?     ?  
187  1  2  B    5  ALA  F    5  .  ?        1     1     ?     ?     ?     ?  
188  1  2  B    6  0QE  F    6  .  ?        ?     ?     ?     ?     ?     ?  
189  1  3  C    .  CL   A  301  .  ?        ?     ?     ?     ?     ?     ?  
190  1  4  D    .  BNG  A  302  .  ?        ?     ?     3     1     5     6  
191  1  4  E    .  BNG  A  303  .  ?        ?     ?     ?     2     4     7  
192  1  5  F    .  HOH  A  401  .  ?        ?     ?     ?     ?     ?     ?  
193  1  5  F    .  HOH  A  402  .  ?        ?     ?     ?     ?     ?     ?  
194  1  5  F    .  HOH  A  403  .  ?        ?     ?     ?     ?     ?     ?  
195  1  5  F    .  HOH  A  404  .  ?        ?     ?     ?     ?     ?     ?  
196  1  5  F    .  HOH  A  405  .  ?        ?     ?     ?     ?     ?     ?  
#
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  mtt180        ?       ?  ?          12   67.720    11  2.43    14  2.58  molprobity  0.364  
  2    2  tp10      -77.0   127.8  Favored     6   53.760     9  0.78    12  0.66  molprobity  1.000  
  3    3  ttt-85    -85.0   -29.5  Favored    13   67.140    11  0.66    14  0.74  molprobity  1.000  
  4    4  ?         -94.6   121.1  Favored     5   47.210     5  0.39     7  0.26  molprobity  1.000  
  5    5  ?         -72.3   178.5  Favored     3   48.340     4  0.34     6  0.54  molprobity  1.000  
  6    6  Cg_endo   -57.4   -43.6  Favored     7   45.840     8  0.49    11  0.43  molprobity  1.000  
  7    7  t         -68.4   -48.2  Favored     9   41.780     7  0.43    10  0.59  molprobity  1.000  
  8    8  m         -50.5   -47.2  Favored     7   44.200     7  0.71    10  0.52  molprobity  1.000  
  9    9  t-105     -66.7   -44.5  Favored    10   48.590    16  0.71    23  0.48  molprobity  1.000  
 10   10  t         -69.3   -32.8  Favored     9   47.410     7  0.83    10  0.51  molprobity  1.000  
 11   11  tpp       -69.5   -31.6  Favored     9   43.610     8  0.66    10  0.48  molprobity  1.000  
 12   12  mtp       -76.3   -41.9  Favored     9   43.740     8  0.46    10  0.40  molprobity  1.000  
 13   13  mt        -58.7   -46.5  Favored    11   45.010     8  0.79    11  0.80  molprobity  1.000  
 14   14  ?         -57.4   -46.2  Favored     5   40.680     5  0.25     7  0.25  molprobity  1.000  
 15   15  m         -63.7   -36.2  Favored     5   45.840     6  0.91     8  0.44  molprobity  1.000  
 16   16  t         -70.5   -41.8  Favored     9   47.890     7  0.39    10  0.45  molprobity  1.000  
 17   17  t         -63.8   -45.4  Favored     9   45.360     7  0.46    10  0.42  molprobity  1.000  
 18   18  t         -61.4   -41.8  Favored     9   43.990     7  0.28    10  0.41  molprobity  1.000  
 19   19  t80       -65.7   -40.7  Favored     9   45.090    12  0.61    16  0.20  molprobity  1.000  
 20   20  mt        -59.5   -40.7  Favored    11   43.370     8  0.35    11  0.61  molprobity  1.000  
 21   21  ?         -68.7   -29.7  Favored     5   43.010     5  0.80     7  0.23  molprobity  1.000  
 22   22  mtp       -77.3   -13.5  Favored     9   45.770     8  0.48    10  0.53  molprobity  1.000  
 23   23  mm-40     -89.1   -46.3  Favored     8   51.240     9  0.67    12  0.50  molprobity  1.000  
 24   24  mt        -66.7   -51.1  Favored    11   47.650     8  0.42    11  0.74  molprobity  1.000  
 25   25  mt        -94.2   -17.0  Favored    11   52.040     8  0.29    11  0.68  molprobity  1.000  
 26   26  ?          97.5   158.0  Favored     3   57.010     4  0.99     5  0.33  molprobity  1.000  
 27   27  m-20      -65.9   -46.5  Favored     4   61.000     8  0.70    11  0.53  molprobity  1.000  
 28   28  mt-30     -66.5   -35.1  Favored     8   70.190     9  0.86    12  0.54  molprobity  1.000  
 29   29  tp10      -69.5   -33.6  Favored     6   76.260     9  0.68    12  0.35  molprobity  1.000  
 30   30  t         -79.0   -31.4  Favored     9   46.770     7  1.01    10  0.78  molprobity  1.000  
 31   31  mmm       -64.3   -32.5  Favored     9   55.600     8  0.82    10  0.87  molprobity  1.000  
 32   32  mt        -71.8   -40.5  Favored    11   47.790     8  0.85    11  0.76  molprobity  1.000  
 33   33  m95       -66.9   -34.8  Favored    10   56.420    16  0.95    23  0.47  molprobity  1.000  
 34   34  mt       -119.0   -17.1  Favored    11   48.140     8  0.47    11  0.79  molprobity  1.000  
 35   35  ?         -61.7   161.0  Favored     5   48.220     5  0.31     7  0.69  molprobity  1.000  
 36   36  t-105     -52.8   144.6  Favored    10   53.840    16  0.56    24  0.53  molprobity  1.000  
 37   37  Cg_exo    -49.9   112.4  Allowed     7   53.140     8  0.43    11  0.34  molprobity  1.000  
 38   38  p90       -97.9    -0.6  Favored     9   47.790    12  0.51    16  0.37  molprobity  1.000  
 39   39  t70      -147.1   146.2  Favored     4   55.080     8  0.61    12  0.74  molprobity  1.000  
 40   40  Cg_exo    -51.9   -38.4  Favored     7   54.180     8  0.49    11  0.33  molprobity  1.000  
 41   41  p         -64.2    -3.9  Favored     7   50.400     7  0.27    10  0.78  molprobity  1.000  
 42   42  mt       -117.3    10.1  Favored    11   54.130     8  0.55    11  0.94  molprobity  1.000  
 43   43  ptpp?     -72.8    -5.0  Favored    13   68.770     9  0.38    11  0.37  molprobity  1.000  
 44   44  m-85     -117.1    -0.1  Favored     9   68.910    12  0.71    16  0.31  molprobity  1.000  
 45   45  mt-10     -77.8    93.0  Favored     6   58.660     9  0.70    12  0.77  molprobity  1.000  
 46   46  m-85      -74.7   -23.7  Favored     9   60.720    12  0.97    16  0.27  molprobity  1.000  
 47   47  p90       -57.0   -30.6  Favored    10   60.480    16  0.59    23  0.47  molprobity  1.000  
 48   48  mtt-85    -65.4   -17.7  Favored    13   52.940    11  0.44    14  0.84  molprobity  1.000  
 49   49  m-85      -78.6    -7.7  Favored     9   50.540    13  0.63    18  0.40  molprobity  1.000  
 50   50  m-85     -124.3   -29.7  Favored     9   56.970    12  1.24    16  0.55  molprobity  1.000  
 51   51  p         -76.9    -6.9  Favored     7   47.150     7  0.59    10  0.81  molprobity  1.000  
 52   52  p80       -67.1   -22.0  Favored     7   45.750    11  0.46    15  0.38  molprobity  1.000  
 53   53  ?         -77.8    -1.1  Favored     5   44.900     5  0.85     7  0.42  molprobity  1.000  
 54   54  mt       -105.6    -4.8  Favored    11   39.950     8  0.51    11  0.59  molprobity  1.000  
 55   55  mtm      -102.0   133.2  Favored     9   45.850     8  0.99    10  0.61  molprobity  1.000  
 56   56  m80      -129.8   140.3  Favored     7   46.100    11  0.65    15  0.30  molprobity  1.000  
 57   57  m-85     -106.0    -3.0  Favored     9   51.890    12  1.05    16  0.37  molprobity  1.000  
 58   58  p        -147.8   140.7  Favored     5   47.000     6  0.85     8  0.66  molprobity  1.000  
 59   59  tp        -61.5   -34.3  Favored    11   48.170     8  0.92    11  0.62  molprobity  1.000  
 60   60  ttp       -68.5   -30.7  Favored     9   55.990     8  1.30    10  0.58  molprobity  1.000  
 61   61  m80       -92.1   -31.0  Favored     7   48.670    11  1.08    15  0.46  molprobity  1.000  
 62   62  tt        -64.3   -34.3  Favored    11   43.310     8  0.88    11  0.65  molprobity  1.000  
 63   63  mt        -65.9   -52.2  Favored    11   45.380     8  0.61    11  0.54  molprobity  1.000  
 64   64  m-85      -74.9   -27.6  Favored     9   64.110    12  0.94    16  0.39  molprobity  1.000  
 65   65  m-20      -74.0   -35.2  Favored     6   41.320     8  1.35    11  0.50  molprobity  1.000  
 66   66  mt        -78.3   -24.9  Favored    11   38.090     8  0.79    11  0.46  molprobity  1.000  
 67   67  tp        -66.2   -49.1  Favored    11   44.710     8  0.72    11  0.32  molprobity  1.000  
 68   68  m95       -77.9   -29.2  Favored    10   59.340    16  1.24    23  0.63  molprobity  1.000  
 69   69  t-105     -54.8   -52.5  Favored    10   40.080    16  0.70    23  0.49  molprobity  1.000  
 70   70  t90       -61.1   -40.4  Favored    10   44.070    16  0.78    23  0.38  molprobity  1.000  
 71   71  t80       -77.6   -60.7  Favored     9   49.490    13  0.46    18  0.41  molprobity  1.000  
 72   72  mt        -68.4   -55.1  Favored    11   45.910     8  0.40    11  0.61  molprobity  1.000  
 73   73  ?         -56.6   -36.1  Favored     3   44.880     4  0.60     5  0.46  molprobity  1.000  
 74   74  ?         -64.6   -39.9  Favored     3   45.770     4  0.78     5  0.38  molprobity  1.000  
 75   75  ?         -67.0   -40.8  Favored     5   43.490     5  0.47     7  0.25  molprobity  1.000  
 76   76  t         -67.3   -39.9  Favored     9   44.770     7  0.53    10  0.53  molprobity  1.000  
 77   77  tt0       -69.9   -32.0  Favored     6   47.820     9  0.72    12  0.33  molprobity  1.000  
 78   78  ttpt      -80.3   -35.8  Favored    13   69.570     9  0.77    11  0.29  molprobity  1.000  
 79   79  mmt85     -95.6   -28.2  Favored    13   77.180    11  0.56    14  0.37  molprobity  1.000  
 80   80  mt       -117.0    -5.7  Favored    11   51.620     8  0.62    11  0.42  molprobity  1.000  
 81   81  ?          96.2   164.4  Favored     3   41.350     4  0.36     5  0.44  molprobity  1.000  
 82   82  m         -66.3   -50.3  Favored     5   41.650     6  0.71     8  0.33  molprobity  1.000  
 83   83  ?         -54.7   -36.1  Favored     3   46.720     4  0.94     5  0.40  molprobity  1.000  
 84   84  tppt?     -66.2   -47.9  Favored    13   50.630     9  0.38    11  0.46  molprobity  1.000  
 85   85  tp        -58.3   -46.4  Favored    11   41.800     8  0.57    11  0.41  molprobity  1.000  
 86   86  mt        -49.8   -47.4  Favored    11   41.390     8  0.41    11  0.77  molprobity  1.000  
 87   87  t         -67.5   -42.6  Favored     9   46.650     7  0.69    10  0.44  molprobity  1.000  
 88   88  mt        -60.8   -37.8  Favored    11   48.470     8  0.35    11  0.63  molprobity  1.000  
 89   89  m         -68.6   -50.9  Favored     7   40.410     7  0.65    10  0.39  molprobity  1.000  
 90   90  mt        -66.4   -40.5  Favored    11   42.110     8  0.65    11  0.73  molprobity  1.000  
 91   91  mt        -72.7   -37.9  Favored    11   44.160     8  0.89    11  0.65  molprobity  1.000  
 92   92  p         -73.0   -34.1  Favored     5   43.350     6  0.56     8  0.50  molprobity  1.000  
 93   93  ?         -69.4   -45.0  Favored     5   44.220     5  0.58     7  0.64  molprobity  1.000  
 94   94  tp        -54.6   -57.8  Favored    11   46.670     8  0.47    11  0.47  molprobity  1.000  
 95   95  mt        -76.1   -30.1  Favored    11   44.470     8  0.53    11  0.50  molprobity  1.000  
 96   96  p         -72.1   -43.4  Favored     5   48.710     6  0.47     8  0.78  molprobity  1.000  
 97   97  ?         -58.4   -39.1  Favored     3   48.840     4  0.25     5  0.47  molprobity  1.000  
 98   98  t80       -61.0   -55.0  Favored     9   61.650    13  0.62    18  0.44  molprobity  1.000  
 99   99  t         -62.5   -30.0  Favored     9   49.420     7  0.47    10  0.66  molprobity  1.000  
100  100  tp60      -69.8   -56.4  Favored     8   53.420     9  0.73    12  0.32  molprobity  1.000  
101  101  pp0?      -68.9   -28.1  Favored     8   59.370     9  0.93    12  0.47  molprobity  1.000  
102  102  tttt      -50.1   -58.8  Favored    13   71.510     9  0.53    11  0.30  molprobity  1.000  
103  103  m-85      -91.4    -7.7  Favored     9   71.770    12  0.78    16  0.42  molprobity  1.000  
104  104  m        -142.8     0.8  Allowed     5   58.420     6  1.13     8  1.13  molprobity  1.000  
105  105  ?          84.0  -178.1  Favored     3   53.490     4  0.51     6  0.77  molprobity  1.000  
106  106  Cg_endo   -95.9    -3.1  Allowed     7   50.260     8  0.73    11  0.84  molprobity  1.000  
107  107  m95       -93.7    78.9  Favored    10   49.540    16  1.51    23  0.44  molprobity  1.000  
108  108  p90      -144.7   163.0  Favored     9   49.320    12  0.91    16  0.32  molprobity  1.000  
109  109  ?        -164.0   177.7  Favored     3   48.900     4  0.99     5  0.61  molprobity  1.000  
110  110  ?         116.0   151.8  Favored     3   48.520     4  1.06     5  0.43  molprobity  1.000  
111  111  tp        -99.3    26.3  Favored    11   42.080     8  1.11    11  1.08  molprobity  1.000  
112  112  p         -94.4   -30.3  Favored     4   44.930     6  1.24     8  0.85  molprobity  1.000  
113  113  ?         -59.5   -40.2  Favored     3   44.190     4  0.89     5  0.80  molprobity  1.000  
114  114  t         -65.4   -42.8  Favored     9   42.530     7  0.88    10  0.75  molprobity  1.000  
115  115  t         -59.3   -46.8  Favored     9   50.310     7  0.46    10  0.57  molprobity  1.000  
116  116  m-85      -67.5   -29.5  Favored     9   58.010    13  1.30    18  0.48  molprobity  1.000  
117  117  ?         -63.5   -43.6  Favored     5   46.380     5  0.33     7  0.36  molprobity  1.000  
118  118  mt        -64.1   -44.5  Favored    11   42.130     8  0.56    11  0.47  molprobity  1.000  
119  119  mtt       -54.0   -58.9  Favored     9   54.460     8  0.90    10  0.58  molprobity  1.000  
120  120  ?         -55.8   -41.5  Favored     3   47.670     4  0.44     5  0.32  molprobity  1.000  
121  121  t80       -71.4   -49.0  Favored     9   52.630    13  0.51    18  0.19  molprobity  1.000  
122  122  t         -59.0   -40.9  Favored     9   49.420     7  0.72    10  0.52  molprobity  1.000  
123  123  t90       -65.9   -57.5  Favored    10   58.500    16  0.88    23  0.41  molprobity  1.000  
124  124  tp        -68.8   -33.1  Favored    11   58.670     8  0.59    11  0.36  molprobity  1.000  
125  125  tpt180    -65.2   -31.7  Favored    13   64.970    11  0.66    14  0.67  molprobity  1.000  
126  126  ?         -76.6   -35.5  Favored     3   62.130     4  0.68     5  0.34  molprobity  1.000  
127  127  tp10      -70.2   -42.9  Favored     6   73.750     9  0.56    12  0.37  molprobity  1.000  
128  128  mtt-85    -98.6    -9.5  Favored    13   92.380    11  0.53    14  0.37  molprobity  1.000  
129  129  t70      -151.6    64.1  Favored     4   75.760     8  0.70    12  0.67  molprobity  1.000  
130  130  Cg_endo   -57.1   -25.0  Favored     7   71.960     8  0.33    11  0.57  molprobity  1.000  
131  131  tm0?      -59.9   -29.2  Favored     8   93.570     9  0.79    12  0.37  molprobity  1.000  
132  132  p         -56.0   -23.8  Favored     5   76.980     6  0.53     8  0.50  molprobity  1.000  
133  133  ?          84.6    14.5  Favored     3   70.250     4  0.71     5  0.32  molprobity  1.000  
134  134  pt       -122.8   154.7  Favored    11   70.880     8  0.50    11  0.74  molprobity  1.000  
135  135  t80      -167.3   131.6  Allowed     9   53.730    13  0.85    18  0.59  molprobity  1.000  
136  136  tp        -93.3   103.9  Favored    11   41.250     8  0.58    11  0.94  molprobity  1.000  
137  137  tp60      -38.4   144.6  Allowed     8   52.910     9  0.86    12  0.90  molprobity  1.000  
138  138  mtt180    -66.2   -43.3  Favored    13   46.970    11  0.75    14  0.45  molprobity  1.000  
139  139  ?         -51.1   -37.1  Favored     3   45.680     4  0.69     5  0.40  molprobity  1.000  
140  140  mt        -74.9   -44.8  Favored    11   50.560     8  0.59    11  1.07  molprobity  1.000  
141  141  mt        -50.5   -44.2  Favored    11   41.960     8  0.51    11  0.66  molprobity  1.000  
142  142  mm        -64.0   -49.4  Favored    11   42.220     8  0.35    11  0.34  molprobity  1.000  
143  143  t80       -58.9   -47.7  Favored     9   55.120    12  0.67    16  0.60  molprobity  1.000  
144  144  ?         -52.6   -54.1  Favored     5   45.430     5  0.92     7  0.25  molprobity  1.000  
145  145  mt        -56.0   -48.0  Favored    11   49.040     8  0.68    11  0.61  molprobity  1.000  
146  146  mt        -60.7   -43.6  Favored    11   50.870     8  0.52    11  0.55  molprobity  1.000  
147  147  t-105     -59.1   -53.3  Favored    10   53.950    16  0.60    23  0.23  molprobity  1.000  
148  148  mt        -50.5   -51.0  Favored    11   54.020     8  0.30    11  0.72  molprobity  1.000  
149  149  t         -59.5   -38.8  Favored     9   53.700     7  0.50    10  0.37  molprobity  1.000  
150  150  ?         -64.7   -41.3  Favored     5   52.640     5  0.18     7  0.16  molprobity  1.000  
151  151  ?         -62.4   -50.0  Favored     3   59.400     4  0.60     5  0.70  molprobity  1.000  
152  152  t-105     -66.2   -25.6  Favored    10   73.750    16  0.68    23  0.45  molprobity  1.000  
153  153  m-85     -107.4     9.1  Favored     9   58.420    12  0.70    16  0.26  molprobity  1.000  
154  154  t0         64.0    46.4  Favored     4   62.860     8  0.55    11  0.53  molprobity  1.000  
155  155  mt        -87.0   -12.1  Favored    11   58.060     8  0.68    11  0.57  molprobity  1.000  
156  156  m-85      -86.1   164.3  Favored     9   61.900    12  0.68    16  0.71  molprobity  1.000  
157  157  ?         -72.2    -4.9  Favored     3   71.720     4  0.76     5  0.37  molprobity  1.000  
158  158  mpp?     -102.9   172.3  Favored     9   64.360     8  1.22    10  1.21  molprobity  1.000  
159  159  t         -93.4   129.9  Favored     5   56.780     6  1.19     8  0.76  molprobity  1.000  
160  160  mmm      -112.8   142.8  Favored     9   52.240     8  0.88    10  0.83  molprobity  1.000  
161  161  ?         -96.0    79.2  Favored     5   50.970     5  1.22     7  0.58  molprobity  1.000  
162  162  m-20      -70.9   -38.8  Favored     6   57.600     8  0.65    11  0.41  molprobity  1.000  
163  163  ?         -51.9   -37.8  Favored     3   49.650     4  0.82     5  0.50  molprobity  1.000  
164  164  ?         -76.2   -29.6  Favored     5   49.050     5  0.94     7  0.40  molprobity  1.000  
165  165  m170      -76.5   -46.7  Favored     7   49.980    11  1.03    15  0.76  molprobity  1.000  
166  166  mp        -68.7   -41.6  Favored    11   53.390     8  0.36    11  0.58  molprobity  1.000  
167  167  ?         -55.5   -45.4  Favored     5   48.930     5  0.45     7  0.42  molprobity  1.000  
168  168  ?         -59.8   -44.3  Favored     3   49.440     4  0.28     5  0.58  molprobity  1.000  
169  169  tp        -58.5   -49.3  Favored    11   47.790     8  0.51    11  0.53  molprobity  1.000  
170  170  ?         -53.5   -52.8  Favored     5   49.030     5  0.49     7  0.22  molprobity  1.000  
171  171  t         -54.0   -45.9  Favored     9   45.750     7  0.50    10  0.76  molprobity  1.000  
172  172  ?         -66.7   -39.1  Favored     3   50.760     4  0.89     5  0.23  molprobity  1.000  
173  173  mt        -59.3   -51.0  Favored    11   50.820     8  0.58    11  0.46  molprobity  1.000  
174  174  ?         -57.0   -46.7  Favored     5   50.850     5  0.35     7  0.41  molprobity  1.000  
175  175  mtp       -62.5   -32.2  Favored     9   57.750     8  0.49    10  0.43  molprobity  1.000  
176  176  ?         -82.3   -26.5  Favored     5   65.190     5  0.39     7  0.24  molprobity  1.000  
177  177  t80       -65.0   -52.0  Favored     9   76.870    12  0.80    16  0.42  molprobity  1.000  
178  178  t         -53.2   -52.2  Favored     9   61.390     7  0.66    10  0.71  molprobity  1.000  
179  179  m-20      -64.5   -28.6  Favored     4   72.800     8  0.35    11  0.40  molprobity  1.000  
180  180  p         -95.2     5.1  Favored     5   87.320     6  0.60     8  0.56  molprobity  1.000  
181  181  OUTLIER   -91.7    32.6  Allowed    11   91.920     8  0.60    11  0.83  molprobity  1.000  
182  182  OUTLIER       ?       ?  ?           6  103.100     7  1.00     8  0.54  molprobity  1.000  
183  183  ?             ?       ?  ?           3   72.750     1  1.21     2  1.08  molprobity  1.000  
184  184  m-85      -79.7   156.6  Favored     9   67.340    12  0.93    16  0.87  molprobity  1.000  
185  185  ?        -104.7   140.9  Favored     5   53.160     5  1.43     7  0.97  molprobity  1.000  
186  186  t        -109.4   156.9  Favored     7   48.700     7  1.05    10  0.39  molprobity  1.000  
187  187  ?             ?       ?  ?           5   50.500     4  5.30     4  3.29  molprobity  1.000  
188  188  ?             ?       ?  ?           ?   52.700     ?     ?     ?     ?  ?           1.000  
189  189  ?             ?       ?  ?           ?   59.680     ?     ?     ?     ?  ?           1.000  
190  190  ?             ?       ?  ?          30   88.440    21  0.93    26  1.43  mogul       1.000  
191  191  ?             ?       ?  ?          30   92.280    21  1.08    26  1.20  mogul       1.000  
192  192  ?             ?       ?  ?           ?   44.650     ?     ?     ?     ?  ?           1.000  
193  193  ?             ?       ?  ?           ?   46.010     ?     ?     ?     ?  ?           1.000  
194  194  ?             ?       ?  ?           ?   51.190     ?     ?     ?     ?  ?           1.000  
195  195  ?             ?       ?  ?           ?   50.200     ?     ?     ?     ?  ?           1.000  
196  196  ?             ?       ?  ?           ?   45.490     ?     ?     ?     ?  ?           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    9  CE2      1  0.63  2.34  
 2    9  NE1      2  0.44  2.33  
 3   12  HG2      3  0.44  1.99  
 4   13  HD11     1  0.63  2.34  
 5   13  HD11     2  0.44  2.33  
 6   18  O        4  0.43  2.19  
 7   22  HG3      4  0.43  2.19  
 8   31  HE3      5  0.75  1.51  
 9   31  HE3      6  0.62  2.35  
10   31  CE       7  0.69  2.05  
11   31  HE1      8  0.44  2.00  
12   31  HG3      9  0.43  2.53  
13   52  HA      10  0.43  2.00  
14   55  HE2     10  0.43  2.00  
15   60  O       11  0.49  1.95  
16   61  ND1     12  0.81  1.96  
17   61  ND1     13  0.52  2.71  
18   61  CE1     14  0.63  2.32  
19   61  CE1     15  0.61  2.83  
20   61  CE1     16  0.42  2.54  
21   64  HD2     11  0.49  1.95  
22   66  HD22     3  0.44  1.99  
23   68  HA      17  0.48  2.49  
24   68  CE3     17  0.48  2.49  
25   68  HZ2     18  0.47  2.32  
26   68  HZ2     19  0.40  2.38  
27   72  HD11    20  0.61  1.82  
28   77  HG3     21  0.46  1.96  
29   78  HB3     22  0.41  1.72  
30   78  HE2     22  0.41  1.72  
31   79  NH1     23  0.45  2.50  
32   79  C       24  0.42  2.40  
33   80  HD23    24  0.42  2.40  
34   82  HA      21  0.46  1.96  
35  101  HA      25  0.53  2.09  
36  105  O       25  0.53  2.09  
37  107  HE3      5  0.75  1.51  
38  107  HE3      7  0.69  2.05  
39  107  CE3      6  0.62  2.35  
40  107  HA       8  0.44  2.00  
41  111  HG      26  0.58  2.03  
42  111  O       26  0.58  2.03  
43  116  HE2     27  0.49  2.30  
44  116  CE2     28  0.46  3.03  
45  119  HG3     20  0.61  1.82  
46  122  HA      29  0.56  1.87  
47  125  HB3     30  0.52  1.92  
48  128  CZ      31  0.41  2.34  
49  133  O       23  0.45  2.50  
50  134  HD12    29  0.56  1.87  
51  134  HD11    30  0.52  1.92  
52  140  CD2     32  0.63  2.28  
53  140  HD23    33  0.55  1.88  
54  140  HD21    34  0.50  1.93  
55  143  CD2     18  0.47  2.32  
56  143  CE2     19  0.40  2.38  
57  158  HE1     12  0.81  1.96  
58  158  HE1     14  0.63  2.32  
59  158  CE      15  0.61  2.83  
60  158  CE      13  0.52  2.71  
61  158  HE2     16  0.42  2.54  
62  165  CD2     27  0.49  2.30  
63  165  CD2     28  0.46  3.03  
64  171  O       35  0.46  2.16  
65  175  HG3     35  0.46  2.16  
66  177  HE1     31  0.41  2.34  
67  184  CE1      9  0.43  2.53  
68  190  "H2'1"  32  0.63  2.28  
69  190  "H2'1"  33  0.55  1.88  
70  190  "H2'1"  34  0.50  1.93  
#
loop_
_pdbx_vrpt_instance_intra_bond_outliers.ordinal
_pdbx_vrpt_instance_intra_bond_outliers.instance_id
_pdbx_vrpt_instance_intra_bond_outliers.atom_1
_pdbx_vrpt_instance_intra_bond_outliers.atom_2
_pdbx_vrpt_instance_intra_bond_outliers.obs
_pdbx_vrpt_instance_intra_bond_outliers.mean
_pdbx_vrpt_instance_intra_bond_outliers.stdev
_pdbx_vrpt_instance_intra_bond_outliers.Z
1    1  CA  CB  1.379  1.535  0.022  -7.08  
2  187  C   O   1.427  1.229  0.019  10.45  
#
loop_
_pdbx_vrpt_instance_intra_angle_outliers.ordinal
_pdbx_vrpt_instance_intra_angle_outliers.instance_id
_pdbx_vrpt_instance_intra_angle_outliers.atom_1
_pdbx_vrpt_instance_intra_angle_outliers.atom_2
_pdbx_vrpt_instance_intra_angle_outliers.atom_3
_pdbx_vrpt_instance_intra_angle_outliers.obs
_pdbx_vrpt_instance_intra_angle_outliers.mean
_pdbx_vrpt_instance_intra_angle_outliers.stdev
_pdbx_vrpt_instance_intra_angle_outliers.Z
1    1  CB  CA  C    120.550  110.400  2.000   5.08  
2    1  NE  CZ  NH1  117.135  120.300  0.500  -6.33  
3  187  CA  C   O    108.606  120.100  2.100  -5.47  
#
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  190  O1  C1  1.44  1.40   506  0.02  2.62  0.00  
2  191  O1  C1  1.45  1.40   506  0.02  2.96  0.01  
3  191  O5  C1  1.47  1.41  9866  0.03  2.28  0.00  
#
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  190  O5  C1  C2  104.59  110.35  5984  2.12  -2.72  0.02  
2  190  C1  C2  C3  114.40  110.00  5810  2.08   2.11  0.00  
3  190  C4  C3  C2  115.28  110.82  1607  1.75   2.55  0.20  
4  190  C3  C4  C5  117.11  110.24  1425  1.78   3.85  0.09  
5  190  O5  C5  C4  114.71  109.69  1535  1.82   2.76  0.04  
6  191  O1  C1  C2  111.89  108.30   141  1.56   2.30  0.12  
7  191  O5  C1  C2  118.46  110.35  5984  2.12   3.83  0.04  
8  191  O5  C5  C4  113.38  109.69  1535  1.82   2.03  0.01  
9  191  C1  O5  C5  119.12  113.69  8805  1.96   2.77  0.01  
#
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  190  C2     C1     O1     "C1'"   102.76  63.59    280   8.56  28.55  0.00  
 2  190  O5     C1     O1     "C1'"  -143.10  71.52    386   9.42  32.16  0.00  
 3  190  O5     C5     C6     O6       32.71  33.96   6600  15.47   0.44  0.53  
 4  190  "C2'"  "C1'"  O1     C1      129.84  38.42    122   7.93  12.77  0.00  
 5  190  "C4'"  "C5'"  "C6'"  "C7'"   139.72  39.26  10000  15.93   0.00  1.36  
 6  190  "C6'"  "C7'"  "C8'"  "C9'"   -89.16  72.61  10000  24.07   0.05  2.13  
 7  191  C4     C5     C6     O6       82.42  41.25   6564  28.08   0.04  1.31  
 8  191  O5     C5     C6     O6      -42.34  24.42   6600  15.38   0.03  3.08  
 9  191  O1     "C1'"  "C2'"  "C3'"  -143.75  56.17  10000  27.04   0.05  0.99  
10  191  "C1'"  "C2'"  "C3'"  "C4'"   -97.57  67.71   6354  18.71   0.18  1.32  
11  191  "C3'"  "C4'"  "C5'"  "C6'"    80.63  81.00  10000  28.03   0.02  4.19  
12  191  "C5'"  "C6'"  "C7'"  "C8'"  -142.50  37.37  10000  17.59   0.01  1.62  
13  191  "C6'"  "C7'"  "C8'"  "C9'"  -129.23  46.55  10000  14.35   0.01  1.52  
#
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   4  0.864  0.154  -0.765  
  2    2   9  0.977  0.179  -0.501  
  3    3  11  0.957  0.246   0.211  
  4    4   5  0.985  0.157  -0.330  
  5    5   4  0.988  0.168  -0.063  
  6    6   7  0.987  0.145  -0.496  
  7    7   7  0.980  0.194  -0.112  
  8    8   7  0.984  0.163  -0.282  
  9    9  14  0.984  0.221   0.381  
 10   10   7  0.980  0.185  -0.223  
 11   11   8  0.974  0.188  -0.035  
 12   12   8  0.991  0.193   0.028  
 13   13   8  0.981  0.202  -0.123  
 14   14   5  0.992  0.142  -0.516  
 15   15   6  0.978  0.122  -0.590  
 16   16   7  0.989  0.177  -0.321  
 17   17   7  0.988  0.174  -0.358  
 18   18   7  0.989  0.169  -0.419  
 19   19  11  0.981  0.192  -0.201  
 20   20   8  0.990  0.187  -0.306  
 21   21   5  0.989  0.172  -0.145  
 22   22   8  0.984  0.157  -0.428  
 23   23   9  0.976  0.153  -0.692  
 24   24   8  0.972  0.173  -0.478  
 25   25   8  0.983  0.149  -0.802  
 26   26   4  0.979  0.120  -0.625  
 27   27   8  0.960  0.115  -0.959  
 28   28   9  0.930  0.211  -0.001  
 29   29   9  0.908  0.321   1.056  
 30   30   7  0.978  0.179  -0.296  
 31   31   8  0.974  0.179  -0.149  
 32   32   8  0.987  0.168  -0.572  
 33   33  14  0.966  0.176  -0.249  
 34   34   8  0.989  0.172  -0.523  
 35   35   5  0.990  0.220   0.449  
 36   36  14  0.983  0.202   0.115  
 37   37   7  0.983  0.130  -0.688  
 38   38  11  0.985  0.161  -0.572  
 39   39   8  0.963  0.104  -1.096  
 40   40   7  0.979  0.185   0.017  
 41   41   7  0.969  0.181  -0.037  
 42   42   8  0.952  0.150  -0.790  
 43   43   9  0.951  0.262   0.185  
 44   44  11  0.919  0.267   0.697  
 45   45   9  0.941  0.164  -0.666  
 46   46  11  0.951  0.202  -0.081  
 47   47  14  0.965  0.190  -0.053  
 48   48  11  0.969  0.178  -0.510  
 49   49  12  0.984  0.180  -0.242  
 50   50  11  0.947  0.236   0.326  
 51   51   7  0.989  0.184   0.004  
 52   52  10  0.990  0.171  -0.248  
 53   53   5  0.993  0.249   0.808  
 54   54   8  0.991  0.215  -0.001  
 55   55   8  0.979  0.174  -0.213  
 56   56  10  0.985  0.194   0.052  
 57   57  11  0.979  0.198  -0.129  
 58   58   6  0.980  0.168  -0.128  
 59   59   8  0.986  0.247   0.387  
 60   60   8  0.973  0.160  -0.390  
 61   61  10  0.961  0.169  -0.274  
 62   62   8  0.989  0.201  -0.135  
 63   63   8  0.989  0.193  -0.268  
 64   64  11  0.955  0.238   0.350  
 65   65   8  0.976  0.179  -0.142  
 66   66   8  0.990  0.213  -0.025  
 67   67   8  0.994  0.208  -0.086  
 68   68  14  0.954  0.272   1.095  
 69   69  14  0.988  0.195   0.017  
 70   70  14  0.986  0.193  -0.011  
 71   71  12  0.966  0.187  -0.150  
 72   72   8  0.992  0.188  -0.329  
 73   73   4  0.986  0.156  -0.204  
 74   74   4  0.990  0.155  -0.215  
 75   75   5  0.991  0.167  -0.207  
 76   76   7  0.991  0.234   0.380  
 77   77   9  0.979  0.173  -0.567  
 78   78   9  0.942  0.279   0.355  
 79   79  11  0.938  0.263   0.391  
 80   80   8  0.983  0.219   0.047  
 81   81   4  0.991  0.143  -0.356  
 82   82   6  0.958  0.153  -0.328  
 83   83   4  0.986  0.141  -0.379  
 84   84   9  0.964  0.173  -0.709  
 85   85   8  0.986  0.157  -0.705  
 86   86   8  0.982  0.146  -0.809  
 87   87   7  0.979  0.151  -0.641  
 88   88   8  0.984  0.175  -0.453  
 89   89   7  0.981  0.150  -0.459  
 90   90   8  0.990  0.194  -0.256  
 91   91   8  0.980  0.196  -0.196  
 92   92   6  0.975  0.140  -0.502  
 93   93   5  0.981  0.156  -0.343  
 94   94   8  0.992  0.191  -0.292  
 95   95   8  0.989  0.253   0.460  
 96   96   6  0.983  0.125  -0.702  
 97   97   4  0.989  0.118  -0.649  
 98   98  12  0.958  0.180  -0.242  
 99   99   7  0.976  0.200  -0.038  
100  100   9  0.973  0.183  -0.335  
101  101   9  0.979  0.113  -1.169  
102  102   9  0.964  0.220  -0.237  
103  103  11  0.957  0.203  -0.069  
104  104   6  0.967  0.109  -0.916  
105  105   4  0.988  0.092  -0.953  
106  106   7  0.979  0.138  -0.585  
107  107  14  0.971  0.162  -0.445  
108  108  11  0.986  0.149  -0.716  
109  109   4  0.992  0.127  -0.543  
110  110   4  0.987  0.142  -0.368  
111  111   8  0.985  0.181  -0.414  
112  112   6  0.965  0.155  -0.302  
113  113   4  0.985  0.139  -0.403  
114  114   7  0.977  0.181  -0.272  
115  115   7  0.988  0.191  -0.149  
116  116  12  0.976  0.183  -0.203  
117  117   5  0.992  0.160  -0.293  
118  118   8  0.985  0.155  -0.729  
119  119   8  0.969  0.179  -0.149  
120  120   4  0.987  0.178   0.054  
121  121  12  0.976  0.180  -0.242  
122  122   7  0.984  0.212   0.109  
123  123  14  0.972  0.191  -0.039  
124  124   8  0.987  0.201  -0.171  
125  125  11  0.961  0.168  -0.616  
126  126   4  0.978  0.135  -0.450  
127  127   9  0.947  0.178  -0.512  
128  128  11  0.916  0.282   0.593  
129  129   8  0.960  0.141  -0.636  
130  130   7  0.964  0.190   0.081  
131  131   9  0.865  0.171  -0.478  
132  132   6  0.976  0.169  -0.115  
133  133   4  0.961  0.114  -0.696  
134  134   8  0.962  0.253   0.502  
135  135  12  0.937  0.229   0.399  
136  136   8  0.987  0.195  -0.244  
137  137   9  0.977  0.191  -0.240  
138  138  11  0.986  0.173  -0.563  
139  139   4  0.995  0.133  -0.473  
140  140   8  0.983  0.296   0.982  
141  141   8  0.991  0.194  -0.221  
142  142   8  0.986  0.218   0.074  
143  143  11  0.969  0.211   0.026  
144  144   5  0.986  0.173  -0.132  
145  145   8  0.979  0.224   0.108  
146  146   8  0.975  0.164  -0.588  
147  147  14  0.976  0.197   0.045  
148  148   8  0.971  0.232   0.245  
149  149   7  0.983  0.227   0.294  
150  150   5  0.988  0.168  -0.194  
151  151   4  0.967  0.137  -0.426  
152  152  14  0.917  0.255   0.857  
153  153  11  0.961  0.211   0.026  
154  154   8  0.959  0.148  -0.549  
155  155   8  0.977  0.174  -0.499  
156  156  11  0.938  0.139  -0.836  
157  157   4  0.936  0.143  -0.356  
158  158   8  0.942  0.151  -0.504  
159  159   6  0.967  0.110  -0.903  
160  160   8  0.977  0.156  -0.441  
161  161   5  0.972  0.162  -0.269  
162  162   8  0.959  0.139  -0.668  
163  163   4  0.982  0.134  -0.461  
164  164   5  0.986  0.145  -0.479  
165  165  10  0.947  0.174  -0.209  
166  166   8  0.969  0.182  -0.368  
167  167   5  0.983  0.146  -0.467  
168  168   4  0.975  0.121  -0.614  
169  169   8  0.985  0.204  -0.135  
170  170   5  0.987  0.132  -0.640  
171  171   7  0.990  0.159  -0.542  
172  172   4  0.982  0.176   0.030  
173  173   8  0.976  0.175  -0.487  
174  174   5  0.989  0.169  -0.182  
175  175   8  0.977  0.145  -0.580  
176  176   5  0.982  0.164  -0.244  
177  177  11  0.960  0.180  -0.345  
178  178   7  0.981  0.183  -0.247  
179  179   8  0.957  0.126  -0.822  
180  180   6  0.937  0.181   0.045  
181  181   8  0.926  0.193  -0.268  
182  182   8  0.600  0.196   0.081  
183  183   3  0.944  0.268       ?  
184  184  11  0.956  0.178  -0.369  
185  185   5  0.977  0.196   0.152  
186  186   7  0.981  0.124  -0.812  
187  187   5  0.958  0.121  -0.776  
188  188   1  0.963  0.199       ?  
189  189   1  0.973  0.260       ?  
190  190  21  0.793  0.379       ?  
191  191  21  0.811  0.368       ?  
192  192   1  0.957  0.222       ?  
193  193   1  0.980  0.503       ?  
194  194   1  0.866  0.515       ?  
195  195   1  0.943  0.432       ?  
196  196   1  0.984  0.704       ?  
#
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  
##
