data_5IRS

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  5IRS
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    5IRS
_pdbx_vrpt_summary.PDB_deposition_date         2016-03-14
_pdbx_vrpt_summary.PDB_revision_number         4
_pdbx_vrpt_summary.PDB_revision_date           2023-09-27
_pdbx_vrpt_summary.report_creation_date        2023-09-21:05:16
_pdbx_vrpt_summary.attempted_validation_steps  molprobity,validation-pack,xtriage,eds,mogul,percentiles,writexml,writecif,writepdf
_pdbx_vrpt_summary.ligands_for_buster_report   N
#
loop_
_pdbx_vrpt_entity.id
_pdbx_vrpt_entity.type
_pdbx_vrpt_entity.description
1  polymer      "Proteasomal ubiquitin receptor ADRM1"  
2  non-polymer  2,3-DIHYDROXY-1,4-DITHIOBUTANE  
3  water        water  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  2  
C  2  
D  3  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all    x-ray  
2  1.796  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   74.38  141614     ?     ?  
 2  2  1   69.07    6793  1.80  1.80  
 3  1  2  100.00  138981     ?     ?  
 4  2  2  100.00    6697  1.80  1.80  
 5  1  3   54.80  138945     ?     ?  
 6  2  3   43.55    6696  1.80  1.80  
 7  1  4   18.94  127900     ?     ?  
 8  2  4   14.96    5850  1.80  1.80  
 9  1  5   77.02  130704     ?     ?  
10  2  5   70.87    5950  1.80  1.80  
#
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   56.63  
4  6  3  A  1  1  A   46.13  
5  7  4  A  1  1  A   18.94  
6  8  4  A  1  1  A   14.96  
#
_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      0.75
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ       0.63
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ   953
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ  1282
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  0.00
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       1.96
_pdbx_vrpt_summary_geometry.clashscore                     3.19
_pdbx_vrpt_summary_geometry.num_H_reduce                   929
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 953
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.63
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                1282
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.75
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            44.490
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         31.253
_pdbx_vrpt_summary_diffraction.I_over_sigma              0.69(1.79A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        14838
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.438
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.485
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.317
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.967
_pdbx_vrpt_summary_diffraction.DCC_R                     0.17
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.21
_pdbx_vrpt_summary_diffraction.EDS_R                     0.18
_pdbx_vrpt_summary_diffraction.EDS_res_high              1.80
_pdbx_vrpt_summary_diffraction.EDS_res_low               35.45
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[39.301,25.900,31.816,0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.414
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 11.22% 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         94.72
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      1484
_pdbx_vrpt_summary_diffraction.percent_free_reflections  10.00
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     6.36
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       1.80
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        35.45
_pdbx_vrpt_summary_diffraction.PDB_R                     0.17
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.21
#
loop_
_pdbx_vrpt_model_instance.id
_pdbx_vrpt_model_instance.PDB_model_num
_pdbx_vrpt_model_instance.entity_id
_pdbx_vrpt_model_instance.label_asym_id
_pdbx_vrpt_model_instance.label_seq_id
_pdbx_vrpt_model_instance.label_comp_id
_pdbx_vrpt_model_instance.auth_asym_id
_pdbx_vrpt_model_instance.auth_seq_id
_pdbx_vrpt_model_instance.label_alt_id
_pdbx_vrpt_model_instance.PDB_ins_code
_pdbx_vrpt_model_instance.count_clashes
_pdbx_vrpt_model_instance.count_mogul_angle_outliers
_pdbx_vrpt_model_instance.count_mogul_torsion_outliers
  1  1  1  A   20  LYS  A   21  .  ?        ?     ?     ?  
  2  1  1  A   21  TYR  A   22  .  ?        ?     ?     ?  
  3  1  1  A   22  LEU  A   23  .  ?        ?     ?     ?  
  4  1  1  A   23  VAL  A   24  .  ?        ?     ?     ?  
  5  1  1  A   24  GLU  A   25  .  ?        ?     ?     ?  
  6  1  1  A   25  PHE  A   26  .  ?        ?     ?     ?  
  7  1  1  A   26  ARG  A   27  .  ?        ?     ?     ?  
  8  1  1  A   27  ALA  A   28  .  ?        ?     ?     ?  
  9  1  1  A   28  GLY  A   29  .  ?        ?     ?     ?  
 10  1  1  A   29  LYS  A   30  .  ?        ?     ?     ?  
 11  1  1  A   30  MET  A   31  .  ?        ?     ?     ?  
 12  1  1  A   31  SER  A   32  .  ?        ?     ?     ?  
 13  1  1  A   32  LEU  A   33  .  ?        ?     ?     ?  
 14  1  1  A   33  LYS  A   34  .  ?        ?     ?     ?  
 15  1  1  A   34  GLY  A   35  .  ?        ?     ?     ?  
 16  1  1  A   35  THR  A   36  .  ?        ?     ?     ?  
 17  1  1  A   36  THR  A   37  .  ?        ?     ?     ?  
 18  1  1  A   37  VAL  A   38  .  ?        ?     ?     ?  
 19  1  1  A   38  THR  A   39  .  ?        ?     ?     ?  
 20  1  1  A   39  PRO  A   40  .  ?        ?     ?     ?  
 21  1  1  A   40  ASP  A   41  .  ?        ?     ?     ?  
 22  1  1  A   41  LYS  A   42  .  ?        ?     ?     ?  
 23  1  1  A   42  ARG  A   43  .  ?        ?     ?     ?  
 24  1  1  A   43  LYS  A   44  .  ?        ?     ?     ?  
 25  1  1  A   44  GLY  A   45  .  ?        ?     ?     ?  
 26  1  1  A   45  LEU  A   46  .  ?        ?     ?     ?  
 27  1  1  A   46  VAL  A   47  .  ?        ?     ?     ?  
 28  1  1  A   47  TYR  A   48  .  ?        ?     ?     ?  
 29  1  1  A   48  ILE  A   49  .  ?        ?     ?     ?  
 30  1  1  A   49  GLN  A   50  .  ?        ?     ?     ?  
 31  1  1  A   50  GLN  A   51  .  ?        ?     ?     ?  
 32  1  1  A   51  THR  A   52  .  ?        ?     ?     ?  
 33  1  1  A   52  ASP  A   53  .  ?        ?     ?     ?  
 34  1  1  A   53  ASP  A   54  .  ?        ?     ?     ?  
 35  1  1  A   54  SER  A   55  .  ?        ?     ?     ?  
 36  1  1  A   55  LEU  A   56  .  ?        ?     ?     ?  
 37  1  1  A   56  ILE  A   57  .  ?        ?     ?     ?  
 38  1  1  A   57  HIS  A   58  .  ?        ?     ?     ?  
 39  1  1  A   58  PHE  A   59  .  ?        ?     ?     ?  
 40  1  1  A   59  CYS  A   60  .  ?        ?     ?     ?  
 41  1  1  A   60  TRP  A   61  .  ?        ?     ?     ?  
 42  1  1  A   61  LYS  A   62  .  ?        ?     ?     ?  
 43  1  1  A   62  ASP  A   63  .  ?        ?     ?     ?  
 44  1  1  A   63  ARG  A   64  .  ?        ?     ?     ?  
 45  1  1  A   64  THR  A   65  .  ?        ?     ?     ?  
 46  1  1  A   65  SER  A   66  .  ?        ?     ?     ?  
 47  1  1  A   66  GLY  A   67  .  ?        ?     ?     ?  
 48  1  1  A   67  ASN  A   68  .  ?        ?     ?     ?  
 49  1  1  A   68  VAL  A   69  .  ?        ?     ?     ?  
 50  1  1  A   69  GLU  A   70  .  ?        ?     ?     ?  
 51  1  1  A   70  ASP  A   71  .  ?        ?     ?     ?  
 52  1  1  A   71  ASP  A   72  .  ?        ?     ?     ?  
 53  1  1  A   72  LEU  A   73  .  ?        ?     ?     ?  
 54  1  1  A   73  ILE  A   74  .  ?        ?     ?     ?  
 55  1  1  A   74  ILE  A   75  .  ?        ?     ?     ?  
 56  1  1  A   75  PHE  A   76  .  ?        ?     ?     ?  
 57  1  1  A   76  PRO  A   77  .  ?        ?     ?     ?  
 58  1  1  A   77  ASP  A   78  .  ?        ?     ?     ?  
 59  1  1  A   78  ASP  A   79  .  ?        ?     ?     ?  
 60  1  1  A   79  CYS  A   80  A  ?        1     ?     ?  
 61  1  1  A   79  CYS  A   80  B  ?        1     ?     ?  
 62  1  1  A   80  GLU  A   81  .  ?        ?     ?     ?  
 63  1  1  A   81  PHE  A   82  .  ?        ?     ?     ?  
 64  1  1  A   82  LYS  A   83  .  ?        ?     ?     ?  
 65  1  1  A   83  ARG  A   84  .  ?        ?     ?     ?  
 66  1  1  A   84  VAL  A   85  .  ?        ?     ?     ?  
 67  1  1  A   85  PRO  A   86  .  ?        ?     ?     ?  
 68  1  1  A   86  GLN  A   87  .  ?        ?     ?     ?  
 69  1  1  A   87  CYS  A   88  A  ?        ?     ?     ?  
 70  1  1  A   87  CYS  A   88  B  ?        ?     ?     ?  
 71  1  1  A   88  PRO  A   89  .  ?        ?     ?     ?  
 72  1  1  A   89  SER  A   90  .  ?        1     ?     ?  
 73  1  1  A   90  GLY  A   91  .  ?        ?     ?     ?  
 74  1  1  A   91  ARG  A   92  .  ?        ?     ?     ?  
 75  1  1  A   92  VAL  A   93  .  ?        ?     ?     ?  
 76  1  1  A   93  TYR  A   94  .  ?        ?     ?     ?  
 77  1  1  A   94  VAL  A   95  .  ?        ?     ?     ?  
 78  1  1  A   95  LEU  A   96  .  ?        1     ?     ?  
 79  1  1  A   96  LYS  A   97  .  ?        ?     ?     ?  
 80  1  1  A   97  PHE  A   98  .  ?        1     ?     ?  
 81  1  1  A   98  LYS  A   99  .  ?        ?     ?     ?  
 82  1  1  A   99  ALA  A  100  .  ?        ?     ?     ?  
 83  1  1  A  100  GLY  A  101  .  ?        ?     ?     ?  
 84  1  1  A  101  SER  A  102  .  ?        ?     ?     ?  
 85  1  1  A  102  LYS  A  103  .  ?        ?     ?     ?  
 86  1  1  A  103  ARG  A  104  .  ?        ?     ?     ?  
 87  1  1  A  104  LEU  A  105  .  ?        ?     ?     ?  
 88  1  1  A  105  PHE  A  106  .  ?        ?     ?     ?  
 89  1  1  A  106  PHE  A  107  .  ?        ?     ?     ?  
 90  1  1  A  107  TRP  A  108  .  ?        ?     ?     ?  
 91  1  1  A  108  MET  A  109  .  ?        ?     ?     ?  
 92  1  1  A  109  GLN  A  110  .  ?        ?     ?     ?  
 93  1  1  A  110  GLU  A  111  .  ?        ?     ?     ?  
 94  1  1  A  111  PRO  A  112  .  ?        ?     ?     ?  
 95  1  1  A  112  LYS  A  113  .  ?        ?     ?     ?  
 96  1  1  A  113  THR  A  114  .  ?        ?     ?     ?  
 97  1  1  A  114  ASP  A  115  .  ?        ?     ?     ?  
 98  1  1  A  115  GLN  A  116  .  ?        ?     ?     ?  
 99  1  1  A  116  ASP  A  117  .  ?        ?     ?     ?  
100  1  1  A  117  GLU  A  118  A  ?        ?     ?     ?  
101  1  1  A  117  GLU  A  118  B  ?        ?     ?     ?  
102  1  1  A  118  GLU  A  119  .  ?        ?     ?     ?  
103  1  1  A  119  HIS  A  120  .  ?        ?     ?     ?  
104  1  1  A  120  CYS  A  121  .  ?        ?     ?     ?  
105  1  1  A  121  ARG  A  122  .  ?        ?     ?     ?  
106  1  1  A  122  LYS  A  123  .  ?        ?     ?     ?  
107  1  1  A  123  VAL  A  124  .  ?        ?     ?     ?  
108  1  1  A  124  ASN  A  125  .  ?        ?     ?     ?  
109  1  1  A  125  GLU  A  126  .  ?        ?     ?     ?  
110  1  1  A  126  TYR  A  127  .  ?        ?     ?     ?  
111  1  1  A  127  LEU  A  128  .  ?        ?     ?     ?  
112  1  1  A  128  ASN  A  129  .  ?        ?     ?     ?  
113  1  1  A  129  ASN  A  130  .  ?        ?     ?     ?  
114  1  2  B    .  DTT  A  201  .  ?        4     2     8  
115  1  2  C    .  DTT  A  202  .  ?        3     ?     2  
116  1  3  D    .  HOH  A  301  .  ?        ?     ?     ?  
117  1  3  D    .  HOH  A  302  .  ?        ?     ?     ?  
118  1  3  D    .  HOH  A  303  .  ?        ?     ?     ?  
119  1  3  D    .  HOH  A  304  .  ?        ?     ?     ?  
120  1  3  D    .  HOH  A  305  .  ?        ?     ?     ?  
121  1  3  D    .  HOH  A  306  .  ?        ?     ?     ?  
122  1  3  D    .  HOH  A  307  .  ?        ?     ?     ?  
123  1  3  D    .  HOH  A  308  .  ?        ?     ?     ?  
124  1  3  D    .  HOH  A  309  .  ?        ?     ?     ?  
125  1  3  D    .  HOH  A  310  .  ?        ?     ?     ?  
126  1  3  D    .  HOH  A  311  .  ?        ?     ?     ?  
127  1  3  D    .  HOH  A  312  .  ?        ?     ?     ?  
128  1  3  D    .  HOH  A  313  .  ?        ?     ?     ?  
129  1  3  D    .  HOH  A  314  .  ?        ?     ?     ?  
130  1  3  D    .  HOH  A  315  .  ?        ?     ?     ?  
131  1  3  D    .  HOH  A  316  .  ?        ?     ?     ?  
132  1  3  D    .  HOH  A  317  .  ?        ?     ?     ?  
133  1  3  D    .  HOH  A  318  .  ?        ?     ?     ?  
134  1  3  D    .  HOH  A  319  .  ?        ?     ?     ?  
135  1  3  D    .  HOH  A  320  .  ?        ?     ?     ?  
136  1  3  D    .  HOH  A  321  .  ?        ?     ?     ?  
137  1  3  D    .  HOH  A  322  .  ?        ?     ?     ?  
138  1  3  D    .  HOH  A  323  .  ?        ?     ?     ?  
139  1  3  D    .  HOH  A  324  .  ?        ?     ?     ?  
140  1  3  D    .  HOH  A  325  .  ?        ?     ?     ?  
141  1  3  D    .  HOH  A  326  .  ?        ?     ?     ?  
142  1  3  D    .  HOH  A  327  .  ?        ?     ?     ?  
143  1  3  D    .  HOH  A  328  .  ?        ?     ?     ?  
144  1  3  D    .  HOH  A  329  .  ?        ?     ?     ?  
145  1  3  D    .  HOH  A  330  .  ?        ?     ?     ?  
146  1  3  D    .  HOH  A  331  .  ?        ?     ?     ?  
147  1  3  D    .  HOH  A  332  .  ?        ?     ?     ?  
148  1  3  D    .  HOH  A  333  .  ?        ?     ?     ?  
149  1  3  D    .  HOH  A  334  .  ?        ?     ?     ?  
150  1  3  D    .  HOH  A  335  .  ?        ?     ?     ?  
151  1  3  D    .  HOH  A  336  .  ?        ?     ?     ?  
152  1  3  D    .  HOH  A  337  .  ?        ?     ?     ?  
153  1  3  D    .  HOH  A  338  .  ?        ?     ?     ?  
154  1  3  D    .  HOH  A  339  .  ?        ?     ?     ?  
155  1  3  D    .  HOH  A  340  .  ?        ?     ?     ?  
156  1  3  D    .  HOH  A  341  .  ?        ?     ?     ?  
157  1  3  D    .  HOH  A  342  .  ?        ?     ?     ?  
158  1  3  D    .  HOH  A  343  .  ?        ?     ?     ?  
159  1  3  D    .  HOH  A  344  .  ?        ?     ?     ?  
160  1  3  D    .  HOH  A  345  .  ?        ?     ?     ?  
161  1  3  D    .  HOH  A  346  .  ?        ?     ?     ?  
162  1  3  D    .  HOH  A  347  .  ?        ?     ?     ?  
163  1  3  D    .  HOH  A  348  .  ?        ?     ?     ?  
164  1  3  D    .  HOH  A  349  .  ?        ?     ?     ?  
165  1  3  D    .  HOH  A  350  .  ?        ?     ?     ?  
166  1  3  D    .  HOH  A  351  .  ?        ?     ?     ?  
167  1  3  D    .  HOH  A  352  .  ?        ?     ?     ?  
168  1  3  D    .  HOH  A  353  .  ?        ?     ?     ?  
169  1  3  D    .  HOH  A  354  .  ?        ?     ?     ?  
170  1  3  D    .  HOH  A  355  .  ?        ?     ?     ?  
171  1  3  D    .  HOH  A  356  .  ?        ?     ?     ?  
172  1  3  D    .  HOH  A  357  .  ?        ?     ?     ?  
173  1  3  D    .  HOH  A  358  .  ?        ?     ?     ?  
174  1  3  D    .  HOH  A  359  .  ?        ?     ?     ?  
175  1  3  D    .  HOH  A  360  .  ?        ?     ?     ?  
176  1  3  D    .  HOH  A  361  .  ?        ?     ?     ?  
177  1  3  D    .  HOH  A  362  .  ?        ?     ?     ?  
178  1  3  D    .  HOH  A  363  .  ?        ?     ?     ?  
179  1  3  D    .  HOH  A  364  .  ?        ?     ?     ?  
180  1  3  D    .  HOH  A  365  .  ?        ?     ?     ?  
181  1  3  D    .  HOH  A  366  .  ?        ?     ?     ?  
182  1  3  D    .  HOH  A  367  .  ?        ?     ?     ?  
#
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  ptpt          ?       ?  ?          12  62.240     9  0.40    11  0.48  molprobity  1.000  
  2    2  m-30      -89.1   137.9  Favored     9  44.040    13  0.57    18  0.39  molprobity  1.000  
  3    3  mt        -70.2   -39.6  Favored    11  31.740     8  0.56    11  0.97  molprobity  1.000  
  4    4  t        -144.3   136.1  Favored     9  29.440     7  0.57    10  1.33  molprobity  1.000  
  5    5  pt-20    -144.3   148.1  Favored     6  37.710     9  0.40    12  0.62  molprobity  1.000  
  6    6  p90      -161.0   155.2  Favored     9  21.450    12  0.62    16  0.54  molprobity  1.000  
  7    7  mtm180    -72.3   127.9  Favored    13  33.670    11  0.60    14  0.83  molprobity  1.000  
  8    8  ?        -166.3   147.5  Favored     5  17.950     5  0.59     7  0.65  molprobity  1.000  
  9    9  ?         -94.9   164.9  Favored     3  23.330     4  0.42     5  0.95  molprobity  1.000  
 10   10  ptmt     -109.1  -179.3  Favored    13  29.210     9  0.58    11  0.68  molprobity  1.000  
 11   11  mtt      -137.1   161.0  Favored     9  29.240     8  0.69    10  0.82  molprobity  1.000  
 12   12  p        -136.7   156.5  Favored     5  39.360     6  0.33     8  0.69  molprobity  1.000  
 13   13  tp        -92.7   116.2  Favored    11  51.210     8  0.45    11  0.69  molprobity  1.000  
 14   14  mttt     -112.4   115.8  Favored    13  66.960     9  0.30    11  0.61  molprobity  1.000  
 15   15  ?          64.4  -116.1  Favored     3  59.130     4  0.48     5  0.96  molprobity  1.000  
 16   16  t        -114.0    14.5  Favored     7  61.870     7  0.48    10  0.69  molprobity  1.000  
 17   17  m        -111.9   122.5  Favored     7  40.170     7  0.28    10  0.51  molprobity  1.000  
 18   18  t         -76.2   120.0  Favored     9  31.210     7  0.35    10  0.59  molprobity  1.000  
 19   19  m        -124.1   119.4  Favored     7  31.260     7  0.46    11  0.58  molprobity  1.000  
 20   20  Cg_exo    -59.9   134.9  Favored     7  26.770     8  0.53    11  0.60  molprobity  1.000  
 21   21  t0        -85.8   132.2  Favored     4  25.760     8  0.32    11  1.03  molprobity  1.000  
 22   22  mttp      -81.0   -11.3  Favored    13  43.530     9  0.44    11  0.44  molprobity  1.000  
 23   23  mtm180    -67.0   144.4  Favored    13  26.670    11  0.35    14  0.69  molprobity  1.000  
 24   24  mttt      -68.1   125.6  Favored    13  34.150     9  0.66    11  0.53  molprobity  1.000  
 25   25  ?        -132.4   171.3  Favored     3  21.170     4  0.33     5  1.02  molprobity  1.000  
 26   26  tp       -128.5   124.3  Favored    11  22.360     8  0.80    11  0.71  molprobity  1.000  
 27   27  t         -90.8   137.5  Favored     9  20.300     7  0.73    10  0.41  molprobity  1.000  
 28   28  p90      -152.0   157.8  Favored     9  26.130    13  0.53    18  0.76  molprobity  1.000  
 29   29  mt       -118.8   131.1  Favored    11  22.530     8  0.68    11  0.63  molprobity  1.000  
 30   30  tt0      -134.0   137.6  Favored     8  36.390     9  0.59    12  0.58  molprobity  1.000  
 31   31  tt0      -100.1   122.0  Favored     8  36.110     9  0.23    12  0.49  molprobity  1.000  
 32   32  p         -84.1   171.2  Favored     7  41.470     7  0.45    10  0.69  molprobity  1.000  
 33   33  p30       -71.5   -10.6  Favored     4  64.840     8  0.27    11  0.46  molprobity  1.000  
 34   34  p30       -82.5     7.4  Favored     4  45.480     8  0.38    11  0.66  molprobity  1.000  
 35   35  m          73.9    -1.4  Favored     5  39.020     6  0.38     8  0.85  molprobity  1.000  
 36   36  mt        -74.9   149.9  Favored    11  31.870     8  0.48    11  0.81  molprobity  1.000  
 37   37  mm       -102.2   129.0  Favored    11  28.080     8  0.29    11  0.52  molprobity  1.000  
 38   38  m-70     -117.5   125.4  Favored     7  28.740    11  0.32    15  0.76  molprobity  1.000  
 39   39  t80       -98.8   119.0  Favored     9  21.230    12  0.67    16  0.62  molprobity  1.000  
 40   40  m        -127.7   156.8  Favored     5  21.080     6  0.41     8  1.05  molprobity  1.000  
 41   41  t90      -130.6   128.3  Favored    10  19.720    16  0.67    23  0.54  molprobity  1.000  
 42   42  tttt     -120.6   134.3  Favored    13  32.060     9  0.52    11  1.06  molprobity  1.000  
 43   43  t0        -74.3   115.4  Favored     4  29.340     8  0.42    11  1.53  molprobity  1.000  
 44   44  mtp180    -64.0   -32.6  Favored    13  26.210    11  0.45    14  0.46  molprobity  1.000  
 45   45  m         -72.4   -46.2  Favored     7  40.140     7  0.35    10  0.56  molprobity  1.000  
 46   46  p         -91.5   -20.6  Favored     5  40.120     6  0.40     8  0.34  molprobity  1.000  
 47   47  ?          73.6     2.7  Favored     3  34.670     4  0.77     5  0.52  molprobity  1.000  
 48   48  m-20      -72.5   130.0  Favored     6  39.230     8  0.32    11  0.44  molprobity  1.000  
 49   49  t         -84.2   109.2  Favored     9  30.100     7  0.30    10  0.61  molprobity  1.000  
 50   50  mt-10     -94.6   -28.8  Favored     6  33.580     9  0.91    12  0.62  molprobity  1.000  
 51   51  m-20     -122.0   135.5  Favored     4  25.890     8  0.60    11  0.90  molprobity  1.000  
 52   52  t0       -155.0   103.3  Favored     4  30.420     8  0.60    11  1.08  molprobity  1.000  
 53   53  mt       -118.0   123.4  Favored    11  29.050     8  0.60    11  0.84  molprobity  1.000  
 54   54  mt        -75.9   124.3  Favored    11  24.470     8  0.67    11  0.65  molprobity  1.000  
 55   55  mm       -123.0   130.4  Favored    11  25.200     8  0.58    11  0.91  molprobity  1.000  
 56   56  m-85     -101.2   159.0  Favored     9  26.400    12  0.87    17  0.51  molprobity  1.000  
 57   57  Cg_exo    -54.3   133.8  Favored     7  30.600     8  0.46    11  0.67  molprobity  1.000  
 58   58  m-20       69.5     6.9  Favored     4  51.570     8  0.58    11  0.82  molprobity  1.000  
 59   59  m-20      -70.5   -33.5  Favored     4  37.820     8  0.34    11  1.69  molprobity  1.000  
 60   60  m        -154.9   168.2  Favored     5  32.170     6  1.35     8  1.09  molprobity  1.000  
 61   61  m        -154.9   168.2  Favored     5  32.170     6  1.35     8  1.09  molprobity  1.000  
 62   62  tt0      -133.4   139.3  Favored     5  41.750     9  0.41    12  0.69  molprobity  1.000  
 63   63  t80      -106.7   124.1  Favored     9  24.020    12  0.80    16  0.61  molprobity  1.000  
 64   64  pttm     -148.5   156.5  Favored    13  36.560     9  0.69    11  0.74  molprobity  1.000  
 65   65  ttp85     -67.9   142.9  Favored    13  42.020    11  0.43    14  0.56  molprobity  1.000  
 66   66  t         -94.2    98.4  Favored     9  27.290     7  1.03    11  0.73  molprobity  1.000  
 67   67  Cg_endo   -61.1   -31.9  Favored     7  45.730     8  0.37    11  0.93  molprobity  1.000  
 68   68  mm100     -91.1     8.6  Favored     8  53.100     9  0.63    12  0.59  molprobity  1.000  
 69   69  t         -85.1   119.6  Favored     4  45.920     6  0.30     9  0.70  molprobity  1.000  
 70   70  t         -85.1   119.6  Favored     5  45.920     6  0.30     9  0.70  molprobity  1.000  
 71   71  Cg_exo    -56.8   -20.0  Favored     7  48.310     8  0.31    11  0.56  molprobity  1.000  
 72   72  p         -65.4   -34.7  Favored     5  49.370     6  0.53     8  0.56  molprobity  1.000  
 73   73  ?          68.5    13.1  Favored     3  53.000     4  0.38     5  0.46  molprobity  1.000  
 74   74  mtp180   -121.0    17.1  Favored    13  30.740    11  1.49    14  1.31  molprobity  1.000  
 75   75  t         -97.0   133.4  Favored     9  20.380     7  0.76    10  1.13  molprobity  1.000  
 76   76  m-85     -125.1   151.7  Favored     9  22.610    13  0.76    18  0.39  molprobity  1.000  
 77   77  p        -127.0   135.3  Favored     9  22.350     7  0.57    10  0.61  molprobity  1.000  
 78   78  tp        -95.4   108.1  Favored    11  23.140     8  0.38    11  0.81  molprobity  1.000  
 79   79  tttm     -109.2   125.2  Favored    13  35.230     9  0.99    11  0.86  molprobity  1.000  
 80   80  m-85      -84.8   115.7  Favored     9  34.330    12  0.71    16  0.72  molprobity  1.000  
 81   81  mttt      -63.5   -25.1  Favored    13  59.810     9  0.32    11  0.45  molprobity  1.000  
 82   82  ?        -111.4   115.1  Favored     5  65.380     5  0.20     7  0.47  molprobity  1.000  
 83   83  ?         101.9   172.5  Favored     3  65.500     4  0.54     5  0.76  molprobity  1.000  
 84   84  OUTLIER   -91.3     8.9  Favored     5  58.950     6  0.28     8  0.65  molprobity  1.000  
 85   85  tttp      -70.6   129.2  Favored    13  44.760     9  0.48    11  0.43  molprobity  1.000  
 86   86  mtt85    -135.0   141.8  Favored    13  35.690    11  0.57    14  1.18  molprobity  1.000  
 87   87  mt       -124.7   126.1  Favored    11  26.970     8  0.65    11  1.01  molprobity  1.000  
 88   88  m-85     -100.8   143.7  Favored     9  21.870    12  0.91    16  0.60  molprobity  1.000  
 89   89  m-85     -137.1   156.7  Favored     9  20.960    12  0.96    16  0.67  molprobity  1.000  
 90   90  p-90     -131.5   126.7  Favored    10  24.050    16  0.64    23  0.69  molprobity  1.000  
 91   91  mmt       -62.7   137.7  Favored     9  26.050     8  0.50    10  0.86  molprobity  1.000  
 92   92  mt-30    -118.7     3.9  Favored     8  24.710     9  0.72    12  0.48  molprobity  1.000  
 93   93  mm-40     -61.1   135.8  Favored     6  40.200     9  1.46    13  0.87  molprobity  1.000  
 94   94  Cg_endo   -61.3   -41.3  Favored     7  57.680     8  0.43    11  0.44  molprobity  1.000  
 95   95  mptt      -96.1   147.0  Favored    13  64.590     9  0.37    11  0.30  molprobity  1.000  
 96   96  p         -83.6    -9.2  Favored     7  40.740     7  0.35    10  0.67  molprobity  1.000  
 97   97  OUTLIER   -53.6   -33.8  Favored     4  55.100     8  0.21    11  0.58  molprobity  1.000  
 98   98  mm100    -103.2     5.8  Favored     8  43.060     9  0.58    12  0.51  molprobity  1.000  
 99   99  m-20      -56.9   -48.8  Favored     4  28.810     8  0.44    11  0.92  molprobity  1.000  
100  100  mm-40     -69.8   -32.2  Favored     6  34.590     9  0.81    12  0.82  molprobity  1.000  
101  101  mm-40     -69.8   -32.2  Favored     6  34.590     9  0.81    12  0.82  molprobity  1.000  
102  102  tp10      -67.3   -44.0  Favored     5  30.750     9  0.94    12  0.66  molprobity  1.000  
103  103  m170      -55.6   -45.8  Favored     7  26.690    11  0.45    15  0.33  molprobity  1.000  
104  104  t         -60.6   -43.1  Favored     5  23.550     6  0.95     8  0.56  molprobity  1.000  
105  105  ttm105    -61.8   -43.5  Favored    13  33.310    11  0.78    14  1.50  molprobity  1.000  
106  106  mttt      -64.2   -42.3  Favored    13  34.240     9  0.56    11  0.46  molprobity  1.000  
107  107  t         -52.3   -52.0  Favored     9  22.970     7  0.54    10  0.63  molprobity  1.000  
108  108  m-20      -60.3   -39.5  Favored     6  27.640     8  0.44    11  0.68  molprobity  1.000  
109  109  mt-10     -65.2   -46.1  Favored     6  35.220     9  1.08    12  0.66  molprobity  1.000  
110  110  m-85      -79.0   -24.4  Favored     9  35.710    13  0.54    18  0.42  molprobity  1.000  
111  111  mt        -79.0   -36.2  Favored    11  27.230     8  0.37    11  0.56  molprobity  1.000  
112  112  m-20     -110.7   -11.1  Favored     6  36.470     8  0.36    11  0.43  molprobity  1.000  
113  113  m-80          ?       ?  ?           6  59.170     7  0.33     8  0.65  molprobity  1.000  
114  114  ?             ?       ?  ?           9  73.290     7  0.70     4  1.92  mogul       1.000  
115  115  ?             ?       ?  ?          10  66.950     7  0.68     4  1.24  mogul       1.000  
116  116  ?             ?       ?  ?           ?  53.240     ?     ?     ?     ?  ?           1.000  
117  117  ?             ?       ?  ?           ?  46.580     ?     ?     ?     ?  ?           1.000  
118  118  ?             ?       ?  ?           ?  33.760     ?     ?     ?     ?  ?           1.000  
119  119  ?             ?       ?  ?           ?  40.210     ?     ?     ?     ?  ?           1.000  
120  120  ?             ?       ?  ?           ?  46.870     ?     ?     ?     ?  ?           1.000  
121  121  ?             ?       ?  ?           ?  43.310     ?     ?     ?     ?  ?           1.000  
122  122  ?             ?       ?  ?           ?  54.340     ?     ?     ?     ?  ?           1.000  
123  123  ?             ?       ?  ?           ?  34.730     ?     ?     ?     ?  ?           1.000  
124  124  ?             ?       ?  ?           ?  54.270     ?     ?     ?     ?  ?           1.000  
125  125  ?             ?       ?  ?           ?  35.580     ?     ?     ?     ?  ?           1.000  
126  126  ?             ?       ?  ?           ?  44.720     ?     ?     ?     ?  ?           1.000  
127  127  ?             ?       ?  ?           ?  47.340     ?     ?     ?     ?  ?           1.000  
128  128  ?             ?       ?  ?           ?  46.820     ?     ?     ?     ?  ?           1.000  
129  129  ?             ?       ?  ?           ?  33.820     ?     ?     ?     ?  ?           1.000  
130  130  ?             ?       ?  ?           ?  36.810     ?     ?     ?     ?  ?           1.000  
131  131  ?             ?       ?  ?           ?  26.550     ?     ?     ?     ?  ?           1.000  
132  132  ?             ?       ?  ?           ?  25.530     ?     ?     ?     ?  ?           1.000  
133  133  ?             ?       ?  ?           ?  28.330     ?     ?     ?     ?  ?           1.000  
134  134  ?             ?       ?  ?           ?  39.800     ?     ?     ?     ?  ?           1.000  
135  135  ?             ?       ?  ?           ?  42.620     ?     ?     ?     ?  ?           1.000  
136  136  ?             ?       ?  ?           ?  32.570     ?     ?     ?     ?  ?           1.000  
137  137  ?             ?       ?  ?           ?  52.000     ?     ?     ?     ?  ?           1.000  
138  138  ?             ?       ?  ?           ?  25.610     ?     ?     ?     ?  ?           1.000  
139  139  ?             ?       ?  ?           ?  27.640     ?     ?     ?     ?  ?           1.000  
140  140  ?             ?       ?  ?           ?  21.730     ?     ?     ?     ?  ?           1.000  
141  141  ?             ?       ?  ?           ?  42.440     ?     ?     ?     ?  ?           1.000  
142  142  ?             ?       ?  ?           ?  39.170     ?     ?     ?     ?  ?           1.000  
143  143  ?             ?       ?  ?           ?  39.010     ?     ?     ?     ?  ?           1.000  
144  144  ?             ?       ?  ?           ?  42.220     ?     ?     ?     ?  ?           1.000  
145  145  ?             ?       ?  ?           ?  28.310     ?     ?     ?     ?  ?           1.000  
146  146  ?             ?       ?  ?           ?  22.820     ?     ?     ?     ?  ?           1.000  
147  147  ?             ?       ?  ?           ?  29.720     ?     ?     ?     ?  ?           1.000  
148  148  ?             ?       ?  ?           ?  37.410     ?     ?     ?     ?  ?           1.000  
149  149  ?             ?       ?  ?           ?  45.270     ?     ?     ?     ?  ?           1.000  
150  150  ?             ?       ?  ?           ?  50.560     ?     ?     ?     ?  ?           1.000  
151  151  ?             ?       ?  ?           ?  39.220     ?     ?     ?     ?  ?           1.000  
152  152  ?             ?       ?  ?           ?  40.000     ?     ?     ?     ?  ?           1.000  
153  153  ?             ?       ?  ?           ?  41.870     ?     ?     ?     ?  ?           1.000  
154  154  ?             ?       ?  ?           ?  31.740     ?     ?     ?     ?  ?           1.000  
155  155  ?             ?       ?  ?           ?  52.250     ?     ?     ?     ?  ?           1.000  
156  156  ?             ?       ?  ?           ?  33.460     ?     ?     ?     ?  ?           1.000  
157  157  ?             ?       ?  ?           ?  37.050     ?     ?     ?     ?  ?           1.000  
158  158  ?             ?       ?  ?           ?  33.400     ?     ?     ?     ?  ?           1.000  
159  159  ?             ?       ?  ?           ?  35.370     ?     ?     ?     ?  ?           1.000  
160  160  ?             ?       ?  ?           ?  37.990     ?     ?     ?     ?  ?           1.000  
161  161  ?             ?       ?  ?           ?  38.730     ?     ?     ?     ?  ?           1.000  
162  162  ?             ?       ?  ?           ?  34.900     ?     ?     ?     ?  ?           1.000  
163  163  ?             ?       ?  ?           ?  44.130     ?     ?     ?     ?  ?           1.000  
164  164  ?             ?       ?  ?           ?  48.710     ?     ?     ?     ?  ?           1.000  
165  165  ?             ?       ?  ?           ?  44.100     ?     ?     ?     ?  ?           1.000  
166  166  ?             ?       ?  ?           ?  24.390     ?     ?     ?     ?  ?           1.000  
167  167  ?             ?       ?  ?           ?  50.460     ?     ?     ?     ?  ?           1.000  
168  168  ?             ?       ?  ?           ?  41.640     ?     ?     ?     ?  ?           1.000  
169  169  ?             ?       ?  ?           ?  56.150     ?     ?     ?     ?  ?           1.000  
170  170  ?             ?       ?  ?           ?  43.460     ?     ?     ?     ?  ?           1.000  
171  171  ?             ?       ?  ?           ?  38.360     ?     ?     ?     ?  ?           1.000  
172  172  ?             ?       ?  ?           ?  54.610     ?     ?     ?     ?  ?           1.000  
173  173  ?             ?       ?  ?           ?  50.000     ?     ?     ?     ?  ?           1.000  
174  174  ?             ?       ?  ?           ?  45.090     ?     ?     ?     ?  ?           1.000  
175  175  ?             ?       ?  ?           ?  33.470     ?     ?     ?     ?  ?           1.000  
176  176  ?             ?       ?  ?           ?  50.920     ?     ?     ?     ?  ?           1.000  
177  177  ?             ?       ?  ?           ?  62.540     ?     ?     ?     ?  ?           1.000  
178  178  ?             ?       ?  ?           ?  52.220     ?     ?     ?     ?  ?           1.000  
179  179  ?             ?       ?  ?           ?  49.160     ?     ?     ?     ?  ?           1.000  
180  180  ?             ?       ?  ?           ?  57.600     ?     ?     ?     ?  ?           1.000  
181  181  ?             ?       ?  ?           ?  52.020     ?     ?     ?     ?  ?           1.000  
182  182  ?             ?       ?  ?           ?  43.670     ?     ?     ?     ?  ?           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   60  SG    1  0.41  3.14  
 2   61  SG    2  0.46  2.55  
 3   72  HB3   3  0.42  2.60  
 4   78  HD11  2  0.46  2.55  
 5   80  CE2   1  0.41  3.14  
 6  114  S4    4  1.11  2.48  
 7  114  S4    5  0.79  2.70  
 8  114  S4    6  0.63  2.38  
 9  114  S1    3  0.42  2.60  
10  115  S4    4  1.11  2.48  
11  115  C4    5  0.79  2.70  
12  115  H42   6  0.63  2.38  
#
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  114  C2  C1  S1  120.58  114.47   41  2.91  2.10  3.90  
2  114  O2  C2  C3  116.20  109.72  129  2.05  3.15  0.03  
#
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  114  S1  C1  C2  O2    96.78  44.90  41  17.42  16.49  0.00  
 2  114  S1  C1  C2  C3   -34.08  89.19  29  53.57  22.85  0.00  
 3  114  C1  C2  C3  O3   -16.99  66.84  60  40.38  30.44  0.00  
 4  114  C1  C2  C3  C4   108.72  59.18  43  10.55  33.05  0.00  
 5  114  O2  C2  C3  O3  -143.66  73.74  71  24.72  17.14  0.00  
 6  114  O2  C2  C3  C4   -17.95  65.88  60  40.38  29.48  0.00  
 7  114  C2  C3  C4  S4  -146.51  50.53  29  29.25  12.42  0.00  
 8  114  O3  C3  C4  S4   -21.37  62.90  41  46.51  27.59  0.00  
 9  115  C2  C3  C4  S4  -138.47  51.36  29  21.50  20.46  0.00  
10  115  O3  C3  C4  S4   -11.84  72.43  41  46.51  37.12  0.00  
#
loop_
_pdbx_vrpt_model_instance_density.ordinal
_pdbx_vrpt_model_instance_density.instance_id
_pdbx_vrpt_model_instance_density.natoms_eds
_pdbx_vrpt_model_instance_density.RSRCC
_pdbx_vrpt_model_instance_density.RSR
_pdbx_vrpt_model_instance_density.RSRZ
  1    1   9  0.895  0.178   0.748  
  2    2  12  0.908  0.117   0.767  
  3    3   8  0.965  0.117   0.516  
  4    4   7  0.976  0.132   0.992  
  5    5   9  0.972  0.130   0.040  
  6    6  11  0.982  0.147   1.588  
  7    7  11  0.969  0.153   0.619  
  8    8   5  0.987  0.131   0.937  
  9    9   4  0.984  0.093   0.068  
 10   10   9  0.970  0.120  -0.160  
 11   11   8  0.986  0.099   0.067  
 12   12   6  0.928  0.143   0.900  
 13   13   8  0.940  0.223   3.291  
 14   14   9  0.909  0.325   3.049  
 15   15   4  0.957  0.115   0.498  
 16   16   7  0.920  0.213   2.635  
 17   17   7  0.973  0.157   1.417  
 18   18   7  0.974  0.113   0.496  
 19   19   7  0.981  0.102   0.222  
 20   20   7  0.976  0.100   0.132  
 21   21   8  0.979  0.074  -0.529  
 22   22   9  0.951  0.161   0.482  
 23   23  11  0.967  0.093  -0.379  
 24   24   9  0.966  0.158   0.435  
 25   25   4  0.982  0.114   0.479  
 26   26   8  0.979  0.134   0.961  
 27   27   7  0.977  0.138   1.149  
 28   28  12  0.984  0.118   0.794  
 29   29   8  0.983  0.122   0.663  
 30   30   9  0.983  0.084  -0.497  
 31   31   9  0.953  0.138   0.407  
 32   32   7  0.978  0.125   0.722  
 33   33   8  0.887  0.229   2.072  
 34   34   8  0.978  0.099  -0.109  
 35   35   6  0.984  0.105   0.169  
 36   36   8  0.977  0.090  -0.191  
 37   37   8  0.980  0.118   0.556  
 38   38  10  0.980  0.086  -0.187  
 39   39  11  0.977  0.102   0.328  
 40   40   6  0.992  0.084   0.096  
 41   41  14  0.954  0.113   0.805  
 42   42   9  0.962  0.134   0.059  
 43   43   8  0.966  0.112   0.109  
 44   44  11  0.962  0.129   0.220  
 45   45   7  0.920  0.130   0.830  
 46   46   6  0.938  0.104   0.150  
 47   47   4  0.972  0.104   0.283  
 48   48   8  0.953  0.106   0.091  
 49   49   7  0.979  0.092  -0.052  
 50   50   9  0.952  0.105  -0.328  
 51   51   8  0.970  0.075  -0.512  
 52   52   8  0.964  0.083  -0.378  
 53   53   8  0.976  0.122   0.647  
 54   54   8  0.981  0.091  -0.166  
 55   55   8  0.967  0.090  -0.193  
 56   56  11  0.975  0.105   0.412  
 57   57   7  0.976  0.085  -0.173  
 58   58   8  0.935  0.165   0.998  
 59   59   8  0.974  0.092  -0.227  
 60   60  12  0.973  0.110   0.857  
 61   61  12  0.973  0.110   0.857  
 62   62   9  0.917  0.167   0.585  
 63   63  11  0.979  0.116   0.720  
 64   64   9  0.958  0.147   0.263  
 65   65  11  0.933  0.155   0.652  
 66   66   7  0.981  0.088  -0.157  
 67   67   7  0.971  0.107   0.274  
 68   68   9  0.879  0.196   1.379  
 69   69  12  0.946  0.122   1.208  
 70   70  12  0.946  0.122   1.208  
 71   71   7  0.845  0.120   0.539  
 72   72   6  0.781  0.172   1.458  
 73   73   4  0.834  0.221   2.568  
 74   74  11  0.929  0.153   0.619  
 75   75   7  0.987  0.078  -0.418  
 76   76  12  0.972  0.098   0.252  
 77   77   7  0.987  0.091  -0.078  
 78   78   8  0.985  0.104   0.175  
 79   79   9  0.916  0.163   0.513  
 80   80  11  0.955  0.111   0.580  
 81   81   9  0.893  0.184   0.842  
 82   82   5  0.890  0.216   2.851  
 83   83   4  0.859  0.159   1.357  
 84   84   6  0.885  0.248   2.919  
 85   85   9  0.950  0.187   0.889  
 86   86  11  0.920  0.130   0.236  
 87   87   8  0.958  0.132   0.908  
 88   88  11  0.966  0.101   0.300  
 89   89  11  0.976  0.101   0.300  
 90   90  14  0.979  0.114   0.835  
 91   91   8  0.980  0.141   0.968  
 92   92   9  0.961  0.143   0.491  
 93   93   9  0.951  0.124  -0.049  
 94   94   7  0.817  0.160   1.352  
 95   95   9  0.924  0.188   0.905  
 96   96   7  0.939  0.124   0.700  
 97   97   8  0.934  0.163   0.965  
 98   98   9  0.902  0.144   0.508  
 99   99   8  0.960  0.124   0.310  
100  100  18  0.940  0.228   1.483  
101  101  18  0.940  0.228   1.483  
102  102   9  0.956  0.159   0.467  
103  103  10  0.973  0.165   1.287  
104  104   6  0.981  0.136   1.617  
105  105  11  0.960  0.141   0.419  
106  106   9  0.970  0.153   0.357  
107  107   7  0.977  0.130   0.940  
108  108   8  0.971  0.123   0.395  
109  109   9  0.948  0.112  -0.225  
110  110  12  0.970  0.106   0.469  
111  111   8  0.979  0.089  -0.217  
112  112   8  0.969  0.074  -0.480  
113  113   8  0.818  0.173   1.287  
114  114   8  0.703  0.764       ?  
115  115   8  0.655  0.285       ?  
116  116   1  0.662  0.224       ?  
117  117   1  0.928  0.708       ?  
118  118   1  0.876  0.202       ?  
119  119   1  0.905  0.193       ?  
120  120   1  0.958  0.230       ?  
121  121   1  0.829  0.270       ?  
122  122   1  0.755  0.118       ?  
123  123   1  0.957  0.127       ?  
124  124   1  0.780  0.177       ?  
125  125   1  0.935  0.229       ?  
126  126   1  0.976  0.185       ?  
127  127   1  0.762  0.300       ?  
128  128   1  0.961  0.219       ?  
129  129   1  0.922  0.369       ?  
130  130   1  0.933  0.227       ?  
131  131   1  0.936  0.196       ?  
132  132   1  0.961  0.144       ?  
133  133   1  0.956  0.115       ?  
134  134   1  0.811  0.241       ?  
135  135   1  0.802  0.111       ?  
136  136   1  0.941  0.121       ?  
137  137   1  0.627  0.169       ?  
138  138   1  0.972  0.148       ?  
139  139   1  0.970  0.161       ?  
140  140   1  0.963  0.088       ?  
141  141   1  0.980  0.215       ?  
142  142   1  0.782  0.299       ?  
143  143   1  0.918  0.205       ?  
144  144   1  0.827  0.216       ?  
145  145   1  0.909  0.174       ?  
146  146   1  0.975  0.063       ?  
147  147   1  0.969  0.122       ?  
148  148   1  0.823  0.124       ?  
149  149   1  0.922  0.197       ?  
150  150   1  0.556  0.593       ?  
151  151   1  0.891  0.183       ?  
152  152   1  0.831  0.149       ?  
153  153   1  0.940  0.224       ?  
154  154   1  0.862  0.107       ?  
155  155   1  0.773  0.143       ?  
156  156   1  0.860  0.309       ?  
157  157   1  0.882  0.079       ?  
158  158   1  0.917  0.334       ?  
159  159   1  0.903  0.175       ?  
160  160   1  0.761  0.202       ?  
161  161   1  0.855  0.280       ?  
162  162   1  0.873  0.166       ?  
163  163   1  0.726  0.499       ?  
164  164   1  0.816  0.238       ?  
165  165   1  0.720  0.100       ?  
166  166   1  0.940  0.079       ?  
167  167   1  0.799  0.268       ?  
168  168   1  0.795  0.169       ?  
169  169   1  0.834  0.158       ?  
170  170   1  0.852  0.367       ?  
171  171   1  0.958  0.392       ?  
172  172   1  0.474  0.490       ?  
173  173   1  0.796  0.194       ?  
174  174   1  0.749  0.130       ?  
175  175   1  0.944  0.227       ?  
176  176   1  0.498  0.176       ?  
177  177   1  0.701  0.253       ?  
178  178   1  0.882  0.069       ?  
179  179   1  0.875  0.402       ?  
180  180   1  0.761  0.409       ?  
181  181   1  0.795  0.166       ?  
182  182   1  0.946  0.332       ?  
#
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  
##
