data_7ZXB

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  7ZXB
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    7ZXB
_pdbx_vrpt_summary.PDB_deposition_date         2022-05-20
_pdbx_vrpt_summary.PDB_revision_number         1
_pdbx_vrpt_summary.PDB_revision_date           2023-11-29
_pdbx_vrpt_summary.report_creation_date        2023-11-20:12:18
_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      "Stimulator of interferon protein"  
2  non-polymer  9-[(1~{R},6~{R},8~{R},10~{S},15~{R},17~{R},18~{S})-8-(6-aminopurin-9-yl)-18-fluoranyl-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-17-yl]purin-6-amine  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  2  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all  x-ray  
2  3.0  x-ray  
#
loop_
_pdbx_vrpt_percentile_type.id
_pdbx_vrpt_percentile_type.type
1  all_atom_clashscore           
2  Ramachandran_outlier_percent  
3  rotamer_outliers_percent      
4  RSRZ_outliers_percent         
5  R_value_R_free                
#
loop_
_pdbx_vrpt_percentile_conditions.id
_pdbx_vrpt_percentile_conditions.percentile_list_id
_pdbx_vrpt_percentile_conditions.type_id
_pdbx_vrpt_percentile_conditions.rank
_pdbx_vrpt_percentile_conditions.number_entries_total
_pdbx_vrpt_percentile_conditions.res_high
_pdbx_vrpt_percentile_conditions.res_low
 1  1  1   98.68  141614     ?     ?  
 2  2  1   99.54    2416  3.00  3.00  
 3  1  2  100.00  138981     ?     ?  
 4  2  2  100.00    2333  3.00  3.00  
 5  1  3  100.00  138945     ?     ?  
 6  2  3  100.00    2336  3.00  3.00  
 7  1  4   60.13  127900     ?     ?  
 8  2  4   31.01    1990  3.00  3.00  
 9  1  5   27.11  130704     ?     ?  
10  2  5   64.26    2092  3.00  3.00  
#
loop_
_pdbx_vrpt_percentile_entity_view.ordinal
_pdbx_vrpt_percentile_entity_view.conditions_id
_pdbx_vrpt_percentile_entity_view.type_id
_pdbx_vrpt_percentile_entity_view.label_asym_id
_pdbx_vrpt_percentile_entity_view.PDB_model_num
_pdbx_vrpt_percentile_entity_view.entity_id
_pdbx_vrpt_percentile_entity_view.auth_asym_id
_pdbx_vrpt_percentile_entity_view.rank
1  3  2  A  1  1  A  100.00  
2  4  2  A  1  1  A  100.00  
3  5  3  A  1  1  A  100.00  
4  6  3  A  1  1  A  100.00  
5  7  4  A  1  1  A   60.13  
6  8  4  A  1  1  A   31.01  
#
_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      0.48
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ       0.24
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ   1425
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ  1930
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  0.00
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       0.00
_pdbx_vrpt_summary_geometry.clashscore                     0.36
_pdbx_vrpt_summary_geometry.num_H_reduce                   1357
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 1425
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.24
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                1930
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.48
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            37.162
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         72.595
_pdbx_vrpt_summary_diffraction.I_over_sigma              1.94(3.01A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        4810
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.341
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.501
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.334
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.906
_pdbx_vrpt_summary_diffraction.DCC_R                     0.24
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.26
_pdbx_vrpt_summary_diffraction.EDS_R                     0.26
_pdbx_vrpt_summary_diffraction.EDS_res_high              3.00
_pdbx_vrpt_summary_diffraction.EDS_res_low               39.53
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[80.120,80.120,60.541,0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.266
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 7.67% of the height of the origin peak. No significant pseudotranslation is detected."
_pdbx_vrpt_summary_diffraction.B_factor_type             FULL
_pdbx_vrpt_summary_diffraction.acentric_outliers         0
_pdbx_vrpt_summary_diffraction.centric_outliers          0
_pdbx_vrpt_summary_diffraction.data_completeness         99.83
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      241
_pdbx_vrpt_summary_diffraction.percent_free_reflections  5.01
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     2.29
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       3.00
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        35.36
_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.ligand_of_interest
  1  1  1  A   15  ASN  A  154  .  ?        ?  ?     
  2  1  1  A   16  VAL  A  155  .  ?        ?  ?     
  3  1  1  A   17  ALA  A  156  .  ?        ?  ?     
  4  1  1  A   18  HIS  A  157  .  ?        ?  ?     
  5  1  1  A   19  GLY  A  158  .  ?        ?  ?     
  6  1  1  A   20  LEU  A  159  .  ?        ?  ?     
  7  1  1  A   21  ALA  A  160  .  ?        ?  ?     
  8  1  1  A   22  TRP  A  161  .  ?        ?  ?     
  9  1  1  A   23  SER  A  162  .  ?        ?  ?     
 10  1  1  A   24  TYR  A  163  .  ?        ?  ?     
 11  1  1  A   25  TYR  A  164  .  ?        ?  ?     
 12  1  1  A   26  ILE  A  165  .  ?        ?  ?     
 13  1  1  A   27  GLY  A  166  .  ?        ?  ?     
 14  1  1  A   28  TYR  A  167  .  ?        1  ?     
 15  1  1  A   29  LEU  A  168  .  ?        ?  ?     
 16  1  1  A   30  ARG  A  169  .  ?        ?  ?     
 17  1  1  A   31  LEU  A  170  .  ?        ?  ?     
 18  1  1  A   32  ILE  A  171  .  ?        ?  ?     
 19  1  1  A   33  LEU  A  172  .  ?        ?  ?     
 20  1  1  A   34  PRO  A  173  .  ?        ?  ?     
 21  1  1  A   35  GLU  A  174  .  ?        ?  ?     
 22  1  1  A   36  LEU  A  175  .  ?        ?  ?     
 23  1  1  A   37  GLN  A  176  .  ?        ?  ?     
 24  1  1  A   38  ALA  A  177  .  ?        ?  ?     
 25  1  1  A   39  ARG  A  178  .  ?        ?  ?     
 26  1  1  A   40  ILE  A  179  .  ?        ?  ?     
 27  1  1  A   41  ARG  A  180  .  ?        ?  ?     
 28  1  1  A   42  THR  A  181  .  ?        ?  ?     
 29  1  1  A   43  TYR  A  182  .  ?        ?  ?     
 30  1  1  A   44  ASN  A  183  .  ?        ?  ?     
 31  1  1  A   45  GLN  A  184  .  ?        ?  ?     
 32  1  1  A   46  HIS  A  185  .  ?        ?  ?     
 33  1  1  A   47  TYR  A  186  .  ?        ?  ?     
 34  1  1  A   54  ALA  A  193  .  ?        ?  ?     
 35  1  1  A   55  VAL  A  194  .  ?        ?  ?     
 36  1  1  A   56  SER  A  195  .  ?        ?  ?     
 37  1  1  A   57  GLN  A  196  .  ?        ?  ?     
 38  1  1  A   58  ARG  A  197  .  ?        ?  ?     
 39  1  1  A   59  LEU  A  198  .  ?        ?  ?     
 40  1  1  A   60  TYR  A  199  .  ?        ?  ?     
 41  1  1  A   61  ILE  A  200  .  ?        ?  ?     
 42  1  1  A   62  LEU  A  201  .  ?        ?  ?     
 43  1  1  A   63  LEU  A  202  .  ?        ?  ?     
 44  1  1  A   64  PRO  A  203  .  ?        ?  ?     
 45  1  1  A   65  LEU  A  204  .  ?        ?  ?     
 46  1  1  A   66  ASP  A  205  .  ?        ?  ?     
 47  1  1  A   67  CYS  A  206  .  ?        ?  ?     
 48  1  1  A   68  GLY  A  207  .  ?        ?  ?     
 49  1  1  A   69  VAL  A  208  .  ?        ?  ?     
 50  1  1  A   70  PRO  A  209  .  ?        ?  ?     
 51  1  1  A   71  ASP  A  210  .  ?        ?  ?     
 52  1  1  A   72  ASN  A  211  .  ?        ?  ?     
 53  1  1  A   73  LEU  A  212  .  ?        ?  ?     
 54  1  1  A   74  SER  A  213  .  ?        ?  ?     
 55  1  1  A   75  MET  A  214  .  ?        ?  ?     
 56  1  1  A   76  ALA  A  215  .  ?        ?  ?     
 57  1  1  A   77  ASP  A  216  .  ?        ?  ?     
 58  1  1  A   78  PRO  A  217  .  ?        ?  ?     
 59  1  1  A   79  ASN  A  218  .  ?        ?  ?     
 60  1  1  A   80  ILE  A  219  .  ?        ?  ?     
 61  1  1  A   81  ARG  A  220  .  ?        ?  ?     
 62  1  1  A   82  PHE  A  221  .  ?        ?  ?     
 63  1  1  A   83  LEU  A  222  .  ?        ?  ?     
 64  1  1  A   84  ASP  A  223  .  ?        ?  ?     
 65  1  1  A   85  LYS  A  224  .  ?        ?  ?     
 66  1  1  A   86  LEU  A  225  .  ?        ?  ?     
 67  1  1  A   87  PRO  A  226  .  ?        ?  ?     
 68  1  1  A   88  GLN  A  227  .  ?        ?  ?     
 69  1  1  A   89  GLN  A  228  .  ?        ?  ?     
 70  1  1  A   90  THR  A  229  .  ?        ?  ?     
 71  1  1  A   91  GLY  A  230  .  ?        ?  ?     
 72  1  1  A   92  ASP  A  231  .  ?        ?  ?     
 73  1  1  A   93  ARG  A  232  .  ?        ?  ?     
 74  1  1  A   94  ALA  A  233  .  ?        ?  ?     
 75  1  1  A   95  GLY  A  234  .  ?        ?  ?     
 76  1  1  A   96  ILE  A  235  .  ?        ?  ?     
 77  1  1  A   97  LYS  A  236  .  ?        ?  ?     
 78  1  1  A   98  ASP  A  237  .  ?        ?  ?     
 79  1  1  A   99  ARG  A  238  .  ?        ?  ?     
 80  1  1  A  100  VAL  A  239  .  ?        ?  ?     
 81  1  1  A  101  TYR  A  240  .  ?        ?  ?     
 82  1  1  A  102  SER  A  241  .  ?        ?  ?     
 83  1  1  A  103  ASN  A  242  .  ?        ?  ?     
 84  1  1  A  104  SER  A  243  .  ?        ?  ?     
 85  1  1  A  105  ILE  A  244  .  ?        ?  ?     
 86  1  1  A  106  TYR  A  245  .  ?        ?  ?     
 87  1  1  A  107  GLU  A  246  .  ?        ?  ?     
 88  1  1  A  108  LEU  A  247  .  ?        ?  ?     
 89  1  1  A  109  LEU  A  248  .  ?        ?  ?     
 90  1  1  A  110  GLU  A  249  .  ?        ?  ?     
 91  1  1  A  111  ASN  A  250  .  ?        ?  ?     
 92  1  1  A  112  GLY  A  251  .  ?        ?  ?     
 93  1  1  A  113  GLN  A  252  .  ?        ?  ?     
 94  1  1  A  114  ARG  A  253  .  ?        ?  ?     
 95  1  1  A  115  ALA  A  254  .  ?        ?  ?     
 96  1  1  A  116  GLY  A  255  .  ?        ?  ?     
 97  1  1  A  117  THR  A  256  .  ?        ?  ?     
 98  1  1  A  118  CYS  A  257  .  ?        ?  ?     
 99  1  1  A  119  VAL  A  258  .  ?        ?  ?     
100  1  1  A  120  LEU  A  259  .  ?        ?  ?     
101  1  1  A  121  GLU  A  260  .  ?        ?  ?     
102  1  1  A  122  TYR  A  261  .  ?        ?  ?     
103  1  1  A  123  ALA  A  262  .  ?        ?  ?     
104  1  1  A  124  THR  A  263  .  ?        ?  ?     
105  1  1  A  125  PRO  A  264  .  ?        ?  ?     
106  1  1  A  126  LEU  A  265  .  ?        ?  ?     
107  1  1  A  127  GLN  A  266  .  ?        ?  ?     
108  1  1  A  128  THR  A  267  .  ?        ?  ?     
109  1  1  A  129  LEU  A  268  .  ?        ?  ?     
110  1  1  A  130  PHE  A  269  .  ?        ?  ?     
111  1  1  A  131  ALA  A  270  .  ?        ?  ?     
112  1  1  A  132  MET  A  271  .  ?        ?  ?     
113  1  1  A  133  SER  A  272  .  ?        ?  ?     
114  1  1  A  134  GLN  A  273  .  ?        ?  ?     
115  1  1  A  135  TYR  A  274  .  ?        ?  ?     
116  1  1  A  136  SER  A  275  .  ?        ?  ?     
117  1  1  A  137  GLN  A  276  .  ?        ?  ?     
118  1  1  A  138  ALA  A  277  .  ?        ?  ?     
119  1  1  A  139  GLY  A  278  .  ?        ?  ?     
120  1  1  A  140  PHE  A  279  .  ?        ?  ?     
121  1  1  A  141  SER  A  280  .  ?        ?  ?     
122  1  1  A  142  ARG  A  281  .  ?        ?  ?     
123  1  1  A  143  GLU  A  282  .  ?        ?  ?     
124  1  1  A  144  ASP  A  283  .  ?        ?  ?     
125  1  1  A  145  ARG  A  284  .  ?        ?  ?     
126  1  1  A  146  LEU  A  285  .  ?        ?  ?     
127  1  1  A  147  GLU  A  286  .  ?        ?  ?     
128  1  1  A  148  GLN  A  287  .  ?        ?  ?     
129  1  1  A  149  ALA  A  288  .  ?        ?  ?     
130  1  1  A  150  LYS  A  289  .  ?        ?  ?     
131  1  1  A  151  LEU  A  290  .  ?        ?  ?     
132  1  1  A  152  PHE  A  291  .  ?        ?  ?     
133  1  1  A  153  CYS  A  292  .  ?        ?  ?     
134  1  1  A  154  ARG  A  293  .  ?        ?  ?     
135  1  1  A  155  THR  A  294  .  ?        ?  ?     
136  1  1  A  156  LEU  A  295  .  ?        ?  ?     
137  1  1  A  157  GLU  A  296  .  ?        ?  ?     
138  1  1  A  158  ASP  A  297  .  ?        ?  ?     
139  1  1  A  159  ILE  A  298  .  ?        ?  ?     
140  1  1  A  160  LEU  A  299  .  ?        ?  ?     
141  1  1  A  161  ALA  A  300  .  ?        ?  ?     
142  1  1  A  162  ASP  A  301  .  ?        ?  ?     
143  1  1  A  163  ALA  A  302  .  ?        ?  ?     
144  1  1  A  164  PRO  A  303  .  ?        ?  ?     
145  1  1  A  165  GLU  A  304  .  ?        ?  ?     
146  1  1  A  166  SER  A  305  .  ?        ?  ?     
147  1  1  A  167  GLN  A  306  .  ?        ?  ?     
148  1  1  A  168  ASN  A  307  .  ?        ?  ?     
149  1  1  A  169  ASN  A  308  .  ?        ?  ?     
150  1  1  A  170  CYS  A  309  .  ?        ?  ?     
151  1  1  A  171  ARG  A  310  .  ?        ?  ?     
152  1  1  A  172  LEU  A  311  .  ?        ?  ?     
153  1  1  A  173  ILE  A  312  .  ?        ?  ?     
154  1  1  A  174  ALA  A  313  .  ?        ?  ?     
155  1  1  A  175  TYR  A  314  .  ?        ?  ?     
156  1  1  A  176  GLN  A  315  .  ?        ?  ?     
157  1  1  A  177  GLU  A  316  .  ?        ?  ?     
158  1  1  A  182  SER  A  321  .  ?        ?  ?     
159  1  1  A  183  SER  A  322  .  ?        ?  ?     
160  1  1  A  184  PHE  A  323  .  ?        ?  ?     
161  1  1  A  185  SER  A  324  .  ?        ?  ?     
162  1  1  A  186  LEU  A  325  .  ?        ?  ?     
163  1  1  A  187  SER  A  326  .  ?        ?  ?     
164  1  1  A  188  GLN  A  327  .  ?        ?  ?     
165  1  1  A  189  GLU  A  328  .  ?        ?  ?     
166  1  1  A  190  VAL  A  329  .  ?        ?  ?     
167  1  1  A  191  LEU  A  330  .  ?        ?  ?     
168  1  1  A  192  ARG  A  331  .  ?        ?  ?     
169  1  1  A  193  HIS  A  332  .  ?        ?  ?     
170  1  1  A  194  LEU  A  333  .  ?        ?  ?     
171  1  1  A  195  ARG  A  334  .  ?        ?  ?     
172  1  1  A  196  GLN  A  335  .  ?        ?  ?     
173  1  1  A  197  GLU  A  336  .  ?        ?  ?     
174  1  1  A  198  GLU  A  337  .  ?        ?  ?     
175  1  1  A  199  LYS  A  338  .  ?        ?  ?     
176  1  2  B    .  KAX  A  401  .  ?        1  Y     
#
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  t-20          ?      ?  ?           5   77.500   8  0.25  11  0.25  molprobity  1.000  
  2    2  m         -95.3  -12.8  Favored     9   59.020   7  0.27  10  0.55  molprobity  1.000  
  3    3  ?         -67.7  -23.8  Favored     5   54.460   5  0.25   7  0.35  molprobity  1.000  
  4    4  t-80      -64.7  -49.3  Favored     7   52.860  11  0.21  15  0.38  molprobity  1.000  
  5    5  ?         -65.0  -33.2  Favored     3   41.320   4  0.17   5  0.27  molprobity  1.000  
  6    6  mp        -66.2  -38.4  Favored    11   48.860   8  0.24  11  0.26  molprobity  1.000  
  7    7  ?         -63.5  -43.8  Favored     5   49.120   5  0.25   7  0.28  molprobity  1.000  
  8    8  m95       -68.5  -38.9  Favored    10   52.550  16  0.19  23  0.24  molprobity  1.000  
  9    9  t         -62.3  -36.7  Favored     5   51.160   6  0.19   8  0.24  molprobity  1.000  
 10   10  t80       -63.8  -39.0  Favored     9   43.370  13  0.29  18  0.30  molprobity  1.000  
 11   11  t80       -75.9  -51.4  Favored     9   52.120  13  0.20  18  0.19  molprobity  1.000  
 12   12  mt        -63.9  -42.4  Favored    11   51.370   8  0.25  11  0.45  molprobity  1.000  
 13   13  ?         -82.5  -31.5  Favored     3   51.560   4  0.19   5  0.50  molprobity  1.000  
 14   14  t80      -117.5  -59.0  Allowed     9   45.730  13  0.37  18  0.49  molprobity  1.000  
 15   15  mt        -77.1  -33.0  Favored    11   49.130   8  0.23  11  0.30  molprobity  1.000  
 16   16  ttp180    -61.9  -25.8  Favored    13   61.810  11  0.21  14  0.93  molprobity  1.000  
 17   17  mt        -90.9  -48.6  Favored    11   55.090   8  0.21  11  0.44  molprobity  1.000  
 18   18  pt        -85.6  -32.6  Favored    11   50.050   8  0.18  11  0.38  molprobity  1.000  
 19   19  mt        -60.6  -45.8  Favored    11   56.850   8  0.33  12  0.67  molprobity  1.000  
 20   20  Cg_exo    -58.5  -36.4  Favored     7   59.750   8  0.31  11  0.23  molprobity  1.000  
 21   21  tt0       -93.9    1.4  Favored     6   71.970   9  0.23  12  0.45  molprobity  1.000  
 22   22  tp        -67.8  -51.6  Favored    11   58.090   8  0.21  11  0.29  molprobity  1.000  
 23   23  mt-30     -66.1  -27.3  Favored     8   73.390   9  0.25  12  0.30  molprobity  1.000  
 24   24  ?         -71.8  -31.6  Favored     5   65.600   5  0.26   7  0.29  molprobity  1.000  
 25   25  mtp180    -74.2  -32.7  Favored    13   62.450  11  0.21  14  0.93  molprobity  1.000  
 26   26  mt        -70.0  -41.9  Favored    11   70.810   8  0.20  11  0.29  molprobity  1.000  
 27   27  ?         -61.7  -32.0  Favored     2   73.630   5  0.21   7  0.25  molprobity  1.000  
 28   28  m         -64.6  -44.3  Favored     7   73.810   7  0.19  10  0.50  molprobity  1.000  
 29   29  t80       -69.8  -39.3  Favored     9   73.850  13  0.24  18  0.22  molprobity  1.000  
 30   30  m-20      -65.0  -38.8  Favored     6   80.680   8  0.24  11  0.29  molprobity  1.000  
 31   31  mt-30     -69.7  -27.2  Favored     8   88.940   9  0.25  12  0.29  molprobity  1.000  
 32   32  m80       -88.8   -4.1  Favored     7  103.480  11  0.16  15  0.31  molprobity  1.000  
 33   33  m-85          ?      ?  ?           9   93.040  12  0.24  15  0.20  molprobity  1.000  
 34   34  ?             ?      ?  ?           4   69.220   5  0.15   7  0.37  molprobity  1.000  
 35   35  t         -99.4  142.6  Favored     9   72.390   7  0.21  10  0.35  molprobity  1.000  
 36   36  p         -67.3  165.8  Favored     5   67.140   6  0.21   8  0.46  molprobity  1.000  
 37   37  mm-40     -94.6    7.6  Favored     8   71.340   9  0.22  12  0.56  molprobity  1.000  
 38   38  ptp180   -137.4  158.2  Favored    13   70.980  11  0.18  14  1.00  molprobity  1.000  
 39   39  tp        -90.1  129.5  Favored    11   53.530   8  0.23  11  0.42  molprobity  1.000  
 40   40  m-85     -105.1  116.1  Favored     9   60.340  13  0.23  18  0.31  molprobity  1.000  
 41   41  mt       -103.0  122.7  Favored    11   46.510   8  0.26  11  0.56  molprobity  1.000  
 42   42  mt        -84.6  133.2  Favored    11   51.410   8  0.40  11  0.67  molprobity  1.000  
 43   43  mt       -130.3   73.2  Favored    11   51.350   8  0.20  12  0.38  molprobity  1.000  
 44   44  Cg_endo   -65.9  120.7  Favored     7   61.100   8  0.14  11  0.34  molprobity  1.000  
 45   45  mt        -73.7  -16.9  Favored    11   65.080   8  0.24  11  0.33  molprobity  1.000  
 46   46  p-10      -76.8    0.0  Favored     4   66.240   8  0.18  11  0.49  molprobity  1.000  
 47   47  m          64.5   19.5  Favored     5   63.130   6  0.24   8  0.47  molprobity  1.000  
 48   48  ?         -86.7  103.0  Favored     3   60.850   4  0.28   5  0.54  molprobity  1.000  
 49   49  t        -120.5   90.8  Favored     9   47.970   7  0.66  11  0.56  molprobity  1.000  
 50   50  Cg_exo    -62.2  146.9  Favored     7   51.320   8  0.15  11  0.41  molprobity  1.000  
 51   51  m-20      -72.0  -40.9  Favored     4   64.590   8  0.20  11  0.25  molprobity  1.000  
 52   52  t-20      -96.5  110.3  Favored     6   71.900   8  0.20  11  0.44  molprobity  1.000  
 53   53  tp        -65.4  -29.4  Favored    11   63.340   8  0.24  11  0.37  molprobity  1.000  
 54   54  t         -64.5  -24.6  Favored     5   74.360   6  0.21   8  0.59  molprobity  1.000  
 55   55  mmt       -75.6  -29.8  Favored     9   80.100   8  0.23  10  0.49  molprobity  1.000  
 56   56  ?         -64.2  -42.3  Favored     5   72.770   5  0.26   7  0.80  molprobity  1.000  
 57   57  t0       -146.3  124.8  Favored     4   69.440   8  0.34  12  0.59  molprobity  1.000  
 58   58  Cg_exo    -60.6  -29.1  Favored     7   63.500   8  0.24  11  0.27  molprobity  1.000  
 59   59  m-20      -73.5   -5.8  Favored     6   62.670   8  0.27  11  0.43  molprobity  1.000  
 60   60  mt        -99.6  108.3  Favored    11   60.900   8  0.24  11  0.51  molprobity  1.000  
 61   61  mtm180   -112.7  136.0  Favored    13   67.540  11  0.22  14  1.00  molprobity  1.000  
 62   62  t80       -69.8  138.4  Favored     9   64.670  12  0.31  16  0.22  molprobity  1.000  
 63   63  tp       -114.3  -57.5  Favored    11   69.570   8  0.20  11  0.28  molprobity  1.000  
 64   64  t0       -170.0  162.7  Favored     4   78.010   8  0.18  11  0.49  molprobity  1.000  
 65   65  mttt      -89.5  152.3  Favored    13   57.810   9  0.23  11  0.42  molprobity  1.000  
 66   66  mt        -74.4  162.4  Favored    11   58.210   8  0.23  12  0.50  molprobity  1.000  
 67   67  Cg_exo    -58.5  141.1  Favored     7   61.340   8  0.15  11  0.34  molprobity  1.000  
 68   68  mt-30     -69.3  158.0  Favored     8   56.030   9  0.24  12  0.49  molprobity  1.000  
 69   69  tt0      -122.5  124.6  Favored     8   55.520   9  0.24  12  0.39  molprobity  1.000  
 70   70  p        -124.7  146.0  Favored     7   57.790   7  0.24  10  0.57  molprobity  1.000  
 71   71  ?        -164.4  150.5  Favored     3   52.760   4  0.27   5  0.15  molprobity  1.000  
 72   72  m-20      -79.5  122.7  Favored     4   57.900   8  0.21  11  0.32  molprobity  1.000  
 73   73  mtp85    -143.2  121.3  Favored    13   53.630  11  0.19  14  0.96  molprobity  1.000  
 74   74  ?          56.7   38.9  Favored     5   57.190   5  0.32   7  0.45  molprobity  1.000  
 75   75  ?          89.6   -5.3  Favored     3   59.470   4  0.39   5  0.69  molprobity  1.000  
 76   76  mt        -95.7  123.8  Favored    11   52.180   8  0.23  11  0.39  molprobity  1.000  
 77   77  mptt      -76.6  126.8  Favored    13   59.840   9  0.20  11  0.48  molprobity  1.000  
 78   78  m-20       52.3   55.3  Favored     4   57.600   8  0.18  11  0.39  molprobity  1.000  
 79   79  ttt180    -62.6  131.8  Favored    13   48.390  11  0.20  14  0.96  molprobity  1.000  
 80   80  t         -94.8  125.7  Favored     9   59.590   7  0.23  10  0.43  molprobity  1.000  
 81   81  m-85     -113.8  113.2  Favored     9   55.180  13  0.28  18  0.40  molprobity  1.000  
 82   82  p        -131.1  148.5  Favored     5   50.900   6  0.31   8  0.49  molprobity  1.000  
 83   83  m120     -131.2  148.9  Favored     6   49.210   8  0.27  11  0.39  molprobity  1.000  
 84   84  m        -103.0  141.7  Favored     5   56.660   6  0.22   8  0.36  molprobity  1.000  
 85   85  mt       -103.3  134.9  Favored    11   60.740   8  0.25  11  0.40  molprobity  1.000  
 86   86  m-85     -124.0  139.4  Favored     9   60.460  13  0.23  18  0.28  molprobity  1.000  
 87   87  mt-10     -96.4  129.2  Favored     6   69.000   9  0.20  12  0.43  molprobity  1.000  
 88   88  mt       -102.5  115.2  Favored    11   62.660   8  0.24  11  0.44  molprobity  1.000  
 89   89  mt        -86.1  151.9  Favored    11   61.240   8  0.20  11  0.46  molprobity  1.000  
 90   90  tt0      -146.1  113.9  Favored     6   69.040   9  0.20  12  0.45  molprobity  1.000  
 91   91  m-20       54.9   40.6  Favored     6   67.160   8  0.22  11  0.38  molprobity  1.000  
 92   92  ?          75.0   13.7  Favored     3   67.650   4  0.38   5  0.60  molprobity  1.000  
 93   93  mm-40    -120.9  139.5  Favored     8   60.980   9  0.21  12  0.37  molprobity  1.000  
 94   94  mtp-105   -71.7  106.3  Favored    13   66.970  11  0.23  14  0.93  molprobity  1.000  
 95   95  ?         -96.8   -0.8  Favored     5   56.550   5  0.29   7  0.72  molprobity  1.000  
 96   96  ?         165.7  172.5  Favored     3   63.710   4  0.28   5  0.82  molprobity  1.000  
 97   97  m        -148.7  131.8  Favored     7   68.190   7  0.20  10  0.59  molprobity  1.000  
 98   98  p        -159.2  164.9  Favored     5   66.110   6  0.24   8  0.50  molprobity  1.000  
 99   99  t         -82.7  118.0  Favored     9   58.660   7  0.25  10  0.43  molprobity  1.000  
100  100  tp       -131.8  138.2  Favored    11   52.410   8  0.20  11  0.43  molprobity  1.000  
101  101  pt-20    -162.8  157.2  Favored     6   46.950   9  0.27  12  0.45  molprobity  1.000  
102  102  m-85      -77.5  166.9  Favored     9   48.980  13  0.27  18  0.39  molprobity  1.000  
103  103  ?         -88.1  107.7  Favored     5   42.210   5  0.23   7  0.69  molprobity  1.000  
104  104  m         -53.8  -40.5  Favored     7   49.620   7  0.31  11  0.83  molprobity  1.000  
105  105  Cg_exo    -60.4  -20.4  Favored     7   47.280   8  0.29  11  0.44  molprobity  1.000  
106  106  mt        -61.9  -43.2  Favored    11   50.170   8  0.20  11  0.42  molprobity  1.000  
107  107  pt20      -72.9  -37.1  Favored     8   53.520   9  0.51  12  0.73  molprobity  1.000  
108  108  m         -59.4  -38.2  Favored     7   60.080   7  0.18  10  0.41  molprobity  1.000  
109  109  tp        -65.5  -39.2  Favored    11   59.190   8  0.19  11  0.56  molprobity  1.000  
110  110  t80       -63.1  -42.6  Favored     9   55.490  12  0.29  16  0.24  molprobity  1.000  
111  111  ?         -70.5  -26.9  Favored     5   61.610   5  0.26   7  0.29  molprobity  1.000  
112  112  mtp       -64.6  -27.7  Favored     9   60.400   8  0.23  10  0.38  molprobity  1.000  
113  113  p         -67.6  -23.6  Favored     5   58.430   6  0.21   8  0.36  molprobity  1.000  
114  114  mt-30     -73.4  -44.5  Favored     8   67.390   9  0.25  12  0.26  molprobity  1.000  
115  115  m-85      -74.9  133.2  Favored     9   58.540  13  0.20  18  0.25  molprobity  1.000  
116  116  p         -72.7  -38.4  Favored     5   63.680   6  0.18   8  0.20  molprobity  1.000  
117  117  mt-30     -63.1  -22.8  Favored     8   77.010   9  0.24  12  0.34  molprobity  1.000  
118  118  ?         -71.3  -18.7  Favored     5   63.490   5  0.30   7  0.57  molprobity  1.000  
119  119  ?          63.8   16.8  Favored     3   65.980   4  0.27   5  0.44  molprobity  1.000  
120  120  t80      -104.5  117.0  Favored     9   63.970  12  0.36  16  0.31  molprobity  1.000  
121  121  p         -87.6  155.6  Favored     5   66.570   6  0.23   8  0.44  molprobity  1.000  
122  122  ttt85     -62.7  -38.1  Favored    13   72.460  11  0.21  14  0.93  molprobity  1.000  
123  123  mt-10     -64.8  -18.7  Favored     6   71.940   9  0.23  12  0.41  molprobity  1.000  
124  124  m-20      -88.3    1.4  Favored     4   69.180   8  0.13  11  0.48  molprobity  1.000  
125  125  mtm-85    -62.2  -47.7  Favored    13   60.910  11  0.21  14  0.92  molprobity  1.000  
126  126  tp        -65.1  -43.3  Favored    11   58.950   8  0.24  11  0.22  molprobity  1.000  
127  127  tt0       -63.9  -43.0  Favored     6   76.240   9  0.22  12  0.30  molprobity  1.000  
128  128  mm-40     -71.3  -29.8  Favored     8   59.250   9  0.24  12  0.33  molprobity  1.000  
129  129  ?         -64.4  -44.3  Favored     5   54.500   5  0.27   7  0.28  molprobity  1.000  
130  130  mttt      -63.6  -41.6  Favored    13   66.270   9  0.23  11  0.27  molprobity  1.000  
131  131  tp        -63.0  -41.5  Favored    11   51.750   8  0.19  11  0.30  molprobity  1.000  
132  132  t80       -61.6  -46.0  Favored     9   43.570  12  0.32  16  0.21  molprobity  1.000  
133  133  t         -63.9  -41.9  Favored     5   59.030   6  0.21   8  0.29  molprobity  1.000  
134  134  ttp-105   -70.5  -41.8  Favored    13   70.880  11  0.23  14  0.97  molprobity  1.000  
135  135  m         -65.2  -39.6  Favored     7   52.860   7  0.19  10  0.47  molprobity  1.000  
136  136  tp        -63.7  -38.5  Favored    11   52.190   8  0.20  11  0.33  molprobity  1.000  
137  137  mt-10     -63.0  -42.4  Favored     6   70.420   9  0.21  12  0.32  molprobity  1.000  
138  138  m-20      -66.4  -30.1  Favored     4   62.980   8  0.19  11  0.25  molprobity  1.000  
139  139  mt        -72.1  -48.8  Favored    11   56.000   8  0.20  11  0.28  molprobity  1.000  
140  140  mt        -71.5  -15.9  Favored    11   59.250   8  0.20  11  0.33  molprobity  1.000  
141  141  ?         -68.4  -43.9  Favored     5   66.670   5  0.27   7  0.22  molprobity  1.000  
142  142  m-20      -93.5    1.2  Favored     4   70.370   8  0.19  11  0.42  molprobity  1.000  
143  143  ?         -76.9  118.9  Favored     5   68.220   5  0.17   8  0.33  molprobity  1.000  
144  144  Cg_endo   -68.2  -27.0  Favored     7   67.660   8  0.22  11  0.25  molprobity  1.000  
145  145  mp0       -60.1  -37.4  Favored     6   66.670   9  0.24  12  0.30  molprobity  1.000  
146  146  t         -91.2  103.0  Favored     5   69.170   6  0.14   8  0.47  molprobity  1.000  
147  147  mt-30    -119.5   82.8  Allowed     8   71.410   9  0.19  12  0.64  molprobity  1.000  
148  148  m-80       49.6   43.0  Favored     6   81.840   8  0.24  11  0.38  molprobity  1.000  
149  149  p30      -113.8    4.8  Favored     6   63.020   8  0.28  11  0.35  molprobity  1.000  
150  150  t        -147.2  144.1  Favored     5   65.680   6  0.32   8  0.40  molprobity  1.000  
151  151  ?        -132.9  135.0  Favored     2   63.070   5  0.17   7  0.59  molprobity  1.000  
152  152  mp       -107.2  125.1  Favored    11   52.090   8  0.42  11  0.63  molprobity  1.000  
153  153  mt       -110.1  108.2  Favored    11   55.030   8  0.26  11  0.49  molprobity  1.000  
154  154  ?        -114.5  141.1  Favored     5   53.500   5  0.33   7  0.47  molprobity  1.000  
155  155  p90      -160.2  160.0  Favored     9   62.700  13  0.25  18  0.40  molprobity  1.000  
156  156  mt-30    -123.7  141.4  Favored     8   80.490   9  0.26  12  0.42  molprobity  1.000  
157  157  mm-40         ?      ?  ?           6   78.290   8  0.16   9  0.27  molprobity  1.000  
158  158  m             ?      ?  ?           4   93.150   6  0.18   8  0.29  molprobity  1.000  
159  159  t        -112.1  126.2  Favored     5  100.140   6  0.25   8  0.37  molprobity  1.000  
160  160  t80      -152.6  140.8  Favored     9   89.560  12  0.35  16  0.31  molprobity  1.000  
161  161  t        -127.3  118.2  Favored     5   77.820   6  0.24   8  0.48  molprobity  1.000  
162  162  tp        -70.2  -31.5  Favored    11   66.290   8  0.18  11  0.34  molprobity  1.000  
163  163  p         -62.8  -43.2  Favored     5   67.990   6  0.19   8  0.28  molprobity  1.000  
164  164  mm-40     -65.2  -39.7  Favored     8   72.120   9  0.23  12  0.26  molprobity  1.000  
165  165  tp10      -63.8  -42.9  Favored     6   77.790   9  0.23  12  0.30  molprobity  1.000  
166  166  t         -69.0  -42.8  Favored     9   65.710   7  0.20  10  0.35  molprobity  1.000  
167  167  mt        -62.2  -29.1  Favored    11   63.990   8  0.22  11  0.27  molprobity  1.000  
168  168  ttt180    -61.3  -48.2  Favored    13   74.740  11  0.21  14  0.91  molprobity  1.000  
169  169  m80       -66.2  -32.5  Favored     7   68.660  11  0.15  15  0.21  molprobity  1.000  
170  170  mt        -66.8  -46.7  Favored    11   73.400   8  0.18  11  0.36  molprobity  1.000  
171  171  mtt180    -65.3  -42.8  Favored    13   78.620  11  0.20  14  0.96  molprobity  1.000  
172  172  tt0       -67.2  -30.9  Favored     8   91.050   9  0.24  12  0.25  molprobity  1.000  
173  173  mm-40     -59.8  -31.9  Favored     6   94.260   9  0.22  12  0.28  molprobity  1.000  
174  174  mt-10     -89.7   89.4  Favored     6   98.610   9  0.26  12  0.52  molprobity  1.000  
175  175  ?             ?      ?  ?           2   93.660   4  0.16   4  0.20  molprobity  1.000  
176  176  ?             ?      ?  ?           ?   44.120  42  0.66  43  0.53  mogul       0.500  
#
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   14  HB2  1  0.44  2.47  
2  176  C36  1  0.44  2.47  
#
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  0.797  0.239   0.261  
  2    2   7  0.936  0.186  -0.579  
  3    3   5  0.964  0.182  -0.327  
  4    4  10  0.931  0.181  -0.442  
  5    5   4  0.984  0.151  -0.461  
  6    6   8  0.964  0.188  -0.699  
  7    7   5  0.971  0.229   0.111  
  8    8  14  0.926  0.251   0.094  
  9    9   6  0.961  0.242   0.404  
 10   10  12  0.957  0.198  -0.479  
 11   11  12  0.904  0.256   0.059  
 12   12   8  0.972  0.256  -0.053  
 13   13   4  0.971  0.295   0.831  
 14   14  12  0.915  0.246  -0.033  
 15   15   8  0.957  0.285   0.151  
 16   16  11  0.916  0.327   0.429  
 17   17   8  0.947  0.269   0.011  
 18   18   8  0.956  0.253  -0.080  
 19   19   8  0.934  0.224  -0.384  
 20   20   7  0.934  0.236   0.184  
 21   21   9  0.826  0.305   0.426  
 22   22   8  0.937  0.173  -0.831  
 23   23   9  0.933  0.237  -0.050  
 24   24   5  0.959  0.133  -0.782  
 25   25  11  0.913  0.205  -0.535  
 26   26   8  0.954  0.281   0.173  
 27   27   5  0.891  0.223  -0.393  
 28   28   7  0.935  0.284   0.739  
 29   29  12  0.938  0.365   1.071  
 30   30   8  0.901  0.343   1.359  
 31   31   9  0.812  0.441   1.906  
 32   32  10  0.725  0.571   3.461  
 33   33  12  0.592  0.647   3.690  
 34   34   5  0.863  0.190  -0.252  
 35   35   7  0.947  0.292   0.367  
 36   36   6  0.886  0.208   0.047  
 37   37   9  0.837  0.376   1.283  
 38   38  11  0.813  0.256  -0.132  
 39   39   8  0.955  0.225  -0.375  
 40   40  12  0.844  0.259   0.087  
 41   41   8  0.971  0.207  -0.496  
 42   42   8  0.950  0.239  -0.252  
 43   43   8  0.973  0.162  -0.927  
 44   44   7  0.967  0.146  -0.711  
 45   45   8  0.968  0.222  -0.401  
 46   46   8  0.948  0.114  -1.057  
 47   47   6  0.924  0.164  -0.288  
 48   48   4  0.948  0.115  -0.785  
 49   49   7  0.950  0.208  -0.383  
 50   50   7  0.973  0.214  -0.035  
 51   51   8  0.944  0.134  -0.851  
 52   52   8  0.930  0.172  -0.447  
 53   53   8  0.926  0.245  -0.200  
 54   54   6  0.962  0.154  -0.519  
 55   55   8  0.899  0.304   0.648  
 56   56   5  0.914  0.244   0.250  
 57   57   8  0.968  0.159  -0.594  
 58   58   7  0.950  0.231   0.134  
 59   59   8  0.903  0.235   0.219  
 60   60   8  0.971  0.201  -0.551  
 61   61  11  0.878  0.306   0.263  
 62   62  11  0.921  0.265   0.008  
 63   63   8  0.871  0.402   1.176  
 64   64   8  0.876  0.297   0.826  
 65   65   9  0.906  0.250  -0.283  
 66   66   8  0.950  0.239  -0.252  
 67   67   7  0.944  0.213  -0.045  
 68   68   9  0.914  0.195  -0.453  
 69   69   9  0.912  0.177  -0.625  
 70   70   7  0.955  0.141  -0.768  
 71   71   4  0.902  0.168  -0.309  
 72   72   8  0.887  0.210  -0.069  
 73   73  11  0.897  0.230  -0.337  
 74   74   5  0.960  0.182  -0.327  
 75   75   4  0.954  0.168  -0.309  
 76   76   8  0.945  0.210  -0.469  
 77   77   9  0.889  0.275  -0.088  
 78   78   8  0.948  0.144  -0.748  
 79   79  11  0.952  0.173  -0.788  
 80   80   7  0.921  0.312   0.546  
 81   81  12  0.916  0.243  -0.061  
 82   82   6  0.915  0.218   0.152  
 83   83   8  0.938  0.243   0.303  
 84   84   6  0.933  0.140  -0.666  
 85   85   8  0.948  0.256  -0.053  
 86   86  12  0.964  0.205  -0.414  
 87   87   9  0.943  0.317   0.531  
 88   88   8  0.968  0.319   0.449  
 89   89   8  0.965  0.238  -0.261  
 90   90   9  0.941  0.240  -0.144  
 91   91   8  0.915  0.170  -0.468  
 92   92   4  0.969  0.190  -0.111  
 93   93   9  0.941  0.273   0.295  
 94   94  11  0.940  0.273   0.002  
 95   95   5  0.957  0.241   0.222  
 96   96   4  0.944  0.319   1.047  
 97   97   7  0.951  0.247   0.349  
 98   98   6  0.896  0.186  -0.029  
 99   99   7  0.915  0.196  -0.490  
100  100   8  0.955  0.206  -0.542  
101  101   9  0.942  0.205  -0.450  
102  102  12  0.930  0.200  -0.461  
103  103   5  0.974  0.208  -0.085  
104  104   7  0.945  0.233   0.201  
105  105   7  0.974  0.241   0.234  
106  106   8  0.974  0.239  -0.252  
107  107   9  0.917  0.222  -0.194  
108  108   7  0.967  0.251   0.391  
109  109   8  0.942  0.268   0.002  
110  110  11  0.909  0.242  -0.194  
111  111   5  0.981  0.202  -0.140  
112  112   8  0.967  0.193  -0.383  
113  113   6  0.952  0.248   0.467  
114  114   9  0.894  0.219  -0.222  
115  115  12  0.847  0.275   0.236  
116  116   6  0.908  0.174  -0.310  
117  117   9  0.802  0.340   0.938  
118  118   5  0.929  0.187  -0.280  
119  119   4  0.923  0.175  -0.246  
120  120  11  0.930  0.284   0.174  
121  121   6  0.960  0.228   0.257  
122  122  11  0.894  0.379   0.840  
123  123   9  0.878  0.374   1.031  
124  124   8  0.916  0.227   0.106  
125  125  11  0.916  0.278   0.042  
126  126   8  0.954  0.272   0.037  
127  127   9  0.894  0.257   0.005  
128  128   9  0.951  0.177  -0.625  
129  129   5  0.949  0.292   0.697  
130  130   9  0.940  0.348   0.481  
131  131   8  0.943  0.204  -0.559  
132  132  11  0.951  0.171  -0.816  
133  133   6  0.948  0.184  -0.053  
134  134  11  0.852  0.360   0.690  
135  135   7  0.948  0.175  -0.410  
136  136   8  0.973  0.201  -0.585  
137  137   9  0.866  0.258   0.014  
138  138   8  0.908  0.277   0.620  
139  139   8  0.966  0.199  -0.569  
140  140   8  0.948  0.216  -0.454  
141  141   5  0.942  0.182  -0.327  
142  142   8  0.871  0.242   0.260  
143  143   5  0.928  0.157  -0.559  
144  144   7  0.912  0.248   0.303  
145  145   9  0.890  0.244  -0.109  
146  146   6  0.870  0.197  -0.068  
147  147   9  0.893  0.263   0.199  
148  148   8  0.805  0.251   0.388  
149  149   8  0.897  0.185  -0.309  
150  150   6  0.874  0.198   0.112  
151  151   5  0.936  0.136  -1.080  
152  152   8  0.968  0.195  -0.638  
153  153   8  0.929  0.237  -0.225  
154  154   5  0.963  0.123  -0.875  
155  155  12  0.913  0.191  -0.544  
156  156   9  0.860  0.257   0.142  
157  157   9  0.699  0.279   0.198  
158  158   6  0.552  0.197  -0.068  
159  159   6  0.758  0.382   1.873  
160  160  11  0.898  0.665   3.514  
161  161   6  0.939  0.379   1.842  
162  162   8  0.881  0.346   0.685  
163  163   6  0.936  0.219   0.163  
164  164   9  0.950  0.257   0.142  
165  165   9  0.898  0.254  -0.021  
166  166   7  0.961  0.376   1.117  
167  167   8  0.958  0.267  -0.007  
168  168  11  0.855  0.379   0.840  
169  169  10  0.922  0.292   0.669  
170  170   8  0.938  0.410   1.246  
171  171  11  0.839  0.379   0.840  
172  172   9  0.918  0.343   0.966  
173  173   9  0.767  0.567   2.722  
174  174   9  0.805  0.229  -0.240  
175  175   5  0.831  0.232  -0.424  
176  176  43  0.950  0.205       ?  
#
loop_
_pdbx_vrpt_software.ordinal
_pdbx_vrpt_software.name
_pdbx_vrpt_software.version
_pdbx_vrpt_software.success_y_or_n
1  molprobity   4.02b-467                                                             Y  
2  mogul        "1.8.4, CSD as541be (2020)"                                           Y  
3  eds          2.36                                                                  Y  
4  dcc          '"2.27  (2023-04-10)"'                                                Y  
5  xtriage      1.13                                                                  Y  
6  percentiles  "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
