data_7XIT

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  7XIT
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    7XIT
_pdbx_vrpt_summary.PDB_deposition_date         2022-04-14
_pdbx_vrpt_summary.PDB_revision_number         4
_pdbx_vrpt_summary.PDB_revision_date           2023-11-29
_pdbx_vrpt_summary.report_creation_date        2023-11-22:05:00
_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      "Reverse Transcriptase RNase H domain"  
2  non-polymer  "MANGANESE (II) ION"  
3  non-polymer  "ZINC ION"  
4  non-polymer  "ethyl 4-bromanyl-5-nitro-furan-2-carboxylate"  
5  water        water  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  2  
C  2  
D  3  
E  3  
F  4  
G  5  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all   x-ray  
2  2.18  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   52.08  141614     ?     ?  
 2  2  1   57.20    7689  2.16  2.20  
 3  1  2  100.00  138981     ?     ?  
 4  2  2  100.00    7564  2.16  2.20  
 5  1  3   30.34  138945     ?     ?  
 6  2  3   35.95    7564  2.16  2.20  
 7  1  4   10.97  127900     ?     ?  
 8  2  4   11.38    6738  2.16  2.20  
 9  1  5   12.99  130704     ?     ?  
10  2  5   10.67    6864  2.16  2.20  
#
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   30.34  
4  6  3  A  1  1  A   35.95  
5  7  4  A  1  1  A   10.97  
6  8  4  A  1  1  A   11.38  
#
_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      0.63
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ       0.44
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ   1168
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ  1581
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  0.00
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       4.07
_pdbx_vrpt_summary_geometry.clashscore                     5.53
_pdbx_vrpt_summary_geometry.num_H_reduce                   1183
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 1168
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.44
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                1581
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.63
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.Babinet_b                 92.222
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            41.495
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         45.286
_pdbx_vrpt_summary_diffraction.I_over_sigma              1.50(2.18A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        8728
_pdbx_vrpt_summary_diffraction.Babinet_k                 0.234
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.350
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.486
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.318
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.940
_pdbx_vrpt_summary_diffraction.DCC_R                     0.23
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.28
_pdbx_vrpt_summary_diffraction.EDS_R                     0.25
_pdbx_vrpt_summary_diffraction.EDS_res_high              2.18
_pdbx_vrpt_summary_diffraction.EDS_res_low               43.52
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[43.502,43.502,49.223,0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.126
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 6.86% 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         99.78
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      437
_pdbx_vrpt_summary_diffraction.percent_free_reflections  5.01
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     8.28
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       2.18
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        29.88
_pdbx_vrpt_summary_diffraction.PDB_R                     0.23
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.27
#
loop_
_pdbx_vrpt_model_instance.id
_pdbx_vrpt_model_instance.PDB_model_num
_pdbx_vrpt_model_instance.entity_id
_pdbx_vrpt_model_instance.label_asym_id
_pdbx_vrpt_model_instance.label_seq_id
_pdbx_vrpt_model_instance.label_comp_id
_pdbx_vrpt_model_instance.auth_asym_id
_pdbx_vrpt_model_instance.auth_seq_id
_pdbx_vrpt_model_instance.label_alt_id
_pdbx_vrpt_model_instance.PDB_ins_code
_pdbx_vrpt_model_instance.count_clashes
_pdbx_vrpt_model_instance.count_mogul_bond_outliers
_pdbx_vrpt_model_instance.count_mogul_angle_outliers
_pdbx_vrpt_model_instance.count_mogul_torsion_outliers
_pdbx_vrpt_model_instance.ligand_of_interest
  1  1  1  A    5  SER  A    5  .  ?        ?     ?     ?     ?  ?     
  2  1  1  A    6  MET  A    6  .  ?        2     ?     ?     ?  ?     
  3  1  1  A    7  TYR  A    7  .  ?        ?     ?     ?     ?  ?     
  4  1  1  A    8  GLN  A    8  .  ?        ?     ?     ?     ?  ?     
  5  1  1  A    9  LEU  A    9  .  ?        ?     ?     ?     ?  ?     
  6  1  1  A   10  GLU  A   10  .  ?        ?     ?     ?     ?  ?     
  7  1  1  A   11  LYS  A   11  .  ?        ?     ?     ?     ?  ?     
  8  1  1  A   12  GLU  A   12  .  ?        ?     ?     ?     ?  ?     
  9  1  1  A   13  PRO  A   13  .  ?        ?     ?     ?     ?  ?     
 10  1  1  A   14  ILE  A   14  .  ?        ?     ?     ?     ?  ?     
 11  1  1  A   15  VAL  A   15  .  ?        ?     ?     ?     ?  ?     
 12  1  1  A   16  GLY  A   16  .  ?        ?     ?     ?     ?  ?     
 13  1  1  A   17  ALA  A   17  .  ?        ?     ?     ?     ?  ?     
 14  1  1  A   18  GLU  A   18  .  ?        1     ?     ?     ?  ?     
 15  1  1  A   19  THR  A   19  .  ?        ?     ?     ?     ?  ?     
 16  1  1  A   20  PHE  A   20  .  ?        ?     ?     ?     ?  ?     
 17  1  1  A   21  TYR  A   21  .  ?        ?     ?     ?     ?  ?     
 18  1  1  A   22  VAL  A   22  .  ?        ?     ?     ?     ?  ?     
 19  1  1  A   23  ASP  A   23  .  ?        ?     ?     ?     ?  ?     
 20  1  1  A   24  GLY  A   24  .  ?        ?     ?     ?     ?  ?     
 21  1  1  A   25  ALA  A   25  .  ?        ?     ?     ?     ?  ?     
 22  1  1  A   26  ALA  A   26  .  ?        ?     ?     ?     ?  ?     
 23  1  1  A   27  ASN  A   27  .  ?        ?     ?     ?     ?  ?     
 24  1  1  A   28  ARG  A   28  .  ?        ?     ?     ?     ?  ?     
 25  1  1  A   29  GLU  A   29  .  ?        ?     ?     ?     ?  ?     
 26  1  1  A   30  THR  A   30  .  ?        ?     ?     ?     ?  ?     
 27  1  1  A   31  LYS  A   31  .  ?        ?     ?     ?     ?  ?     
 28  1  1  A   32  LEU  A   32  .  ?        ?     ?     ?     ?  ?     
 29  1  1  A   33  GLY  A   33  .  ?        1     ?     ?     ?  ?     
 30  1  1  A   34  LYS  A   34  .  ?        ?     ?     ?     ?  ?     
 31  1  1  A   35  ALA  A   35  .  ?        ?     ?     ?     ?  ?     
 32  1  1  A   36  GLY  A   36  .  ?        ?     ?     ?     ?  ?     
 33  1  1  A   37  TYR  A   37  .  ?        ?     ?     ?     ?  ?     
 34  1  1  A   38  VAL  A   38  .  ?        ?     ?     ?     ?  ?     
 35  1  1  A   39  THR  A   39  .  ?        ?     ?     ?     ?  ?     
 36  1  1  A   40  ASN  A   40  .  ?        ?     ?     ?     ?  ?     
 37  1  1  A   41  ARG  A   41  .  ?        ?     ?     ?     ?  ?     
 38  1  1  A   42  GLY  A   42  .  ?        ?     ?     ?     ?  ?     
 39  1  1  A   43  ARG  A   43  .  ?        1     ?     ?     ?  ?     
 40  1  1  A   44  GLN  A   44  .  ?        ?     ?     ?     ?  ?     
 41  1  1  A   45  LYS  A   45  .  ?        ?     ?     ?     ?  ?     
 42  1  1  A   46  VAL  A   46  .  ?        ?     ?     ?     ?  ?     
 43  1  1  A   47  VAL  A   47  .  ?        ?     ?     ?     ?  ?     
 44  1  1  A   48  THR  A   48  .  ?        ?     ?     ?     ?  ?     
 45  1  1  A   49  LEU  A   49  .  ?        ?     ?     ?     ?  ?     
 46  1  1  A   50  THR  A   50  .  ?        ?     ?     ?     ?  ?     
 47  1  1  A   51  ASP  A   51  .  ?        ?     ?     ?     ?  ?     
 48  1  1  A   52  THR  A   52  .  ?        ?     ?     ?     ?  ?     
 49  1  1  A   53  THR  A   53  .  ?        ?     ?     ?     ?  ?     
 50  1  1  A   54  ASN  A   54  .  ?        ?     ?     ?     ?  ?     
 51  1  1  A   55  GLN  A   55  .  ?        ?     ?     ?     ?  ?     
 52  1  1  A   56  LYS  A   56  .  ?        ?     ?     ?     ?  ?     
 53  1  1  A   57  THR  A   57  .  ?        ?     ?     ?     ?  ?     
 54  1  1  A   58  GLU  A   58  .  ?        ?     ?     ?     ?  ?     
 55  1  1  A   59  LEU  A   59  .  ?        ?     ?     ?     ?  ?     
 56  1  1  A   60  GLN  A   60  .  ?        ?     ?     ?     ?  ?     
 57  1  1  A   61  ALA  A   61  .  ?        ?     ?     ?     ?  ?     
 58  1  1  A   62  ILE  A   62  .  ?        ?     ?     ?     ?  ?     
 59  1  1  A   63  TYR  A   63  .  ?        ?     ?     ?     ?  ?     
 60  1  1  A   64  LEU  A   64  .  ?        ?     ?     ?     ?  ?     
 61  1  1  A   65  ALA  A   65  .  ?        ?     ?     ?     ?  ?     
 62  1  1  A   66  LEU  A   66  .  ?        ?     ?     ?     ?  ?     
 63  1  1  A   67  GLN  A   67  .  ?        ?     ?     ?     ?  ?     
 64  1  1  A   68  ASP  A   68  .  ?        ?     ?     ?     ?  ?     
 65  1  1  A   69  SER  A   69  .  ?        ?     ?     ?     ?  ?     
 66  1  1  A   70  GLY  A   70  .  ?        ?     ?     ?     ?  ?     
 67  1  1  A   71  LEU  A   71  .  ?        ?     ?     ?     ?  ?     
 68  1  1  A   72  GLU  A   72  .  ?        ?     ?     ?     ?  ?     
 69  1  1  A   73  VAL  A   73  .  ?        ?     ?     ?     ?  ?     
 70  1  1  A   74  ASN  A   74  .  ?        ?     ?     ?     ?  ?     
 71  1  1  A   75  ILE  A   75  .  ?        ?     ?     ?     ?  ?     
 72  1  1  A   76  VAL  A   76  .  ?        ?     ?     ?     ?  ?     
 73  1  1  A   77  THR  A   77  .  ?        ?     ?     ?     ?  ?     
 74  1  1  A   78  ASP  A   78  .  ?        ?     ?     ?     ?  ?     
 75  1  1  A   79  SER  A   79  .  ?        ?     ?     ?     ?  ?     
 76  1  1  A   80  GLN  A   80  .  ?        1     ?     ?     ?  ?     
 77  1  1  A   81  TYR  A   81  .  ?        ?     ?     ?     ?  ?     
 78  1  1  A   82  ALA  A   82  .  ?        ?     ?     ?     ?  ?     
 79  1  1  A   83  LEU  A   83  .  ?        1     ?     ?     ?  ?     
 80  1  1  A   84  GLY  A   84  .  ?        ?     ?     ?     ?  ?     
 81  1  1  A   85  ILE  A   85  .  ?        ?     ?     ?     ?  ?     
 82  1  1  A   86  ILE  A   86  .  ?        ?     ?     ?     ?  ?     
 83  1  1  A   87  THR  A   87  .  ?        ?     ?     ?     ?  ?     
 84  1  1  A   88  GLN  A   88  .  ?        ?     ?     ?     ?  ?     
 85  1  1  A   89  TRP  A   89  .  ?        ?     ?     ?     ?  ?     
 86  1  1  A   90  ILE  A   90  .  ?        ?     ?     ?     ?  ?     
 87  1  1  A   91  HIS  A   91  .  ?        ?     ?     ?     ?  ?     
 88  1  1  A   92  ASN  A   92  .  ?        ?     ?     ?     ?  ?     
 89  1  1  A   93  TRP  A   93  .  ?        ?     ?     ?     ?  ?     
 90  1  1  A   94  LYS  A   94  .  ?        ?     ?     ?     ?  ?     
 91  1  1  A   95  LYS  A   95  .  ?        ?     ?     ?     ?  ?     
 92  1  1  A   96  ARG  A   96  .  ?        ?     ?     ?     ?  ?     
 93  1  1  A   97  GLY  A   97  .  ?        ?     ?     ?     ?  ?     
 94  1  1  A   98  TRP  A   98  .  ?        ?     ?     ?     ?  ?     
 95  1  1  A   99  LYS  A   99  .  ?        ?     ?     ?     ?  ?     
 96  1  1  A  100  THR  A  100  .  ?        ?     ?     ?     ?  ?     
 97  1  1  A  101  PRO  A  101  .  ?        ?     ?     ?     ?  ?     
 98  1  1  A  102  VAL  A  102  .  ?        ?     ?     ?     ?  ?     
 99  1  1  A  103  LYS  A  103  .  ?        ?     ?     ?     ?  ?     
100  1  1  A  104  ASN  A  104  .  ?        ?     ?     ?     ?  ?     
101  1  1  A  105  VAL  A  105  .  ?        ?     ?     ?     ?  ?     
102  1  1  A  106  ASP  A  106  .  ?        1     ?     ?     ?  ?     
103  1  1  A  107  LEU  A  107  .  ?        ?     ?     ?     ?  ?     
104  1  1  A  108  VAL  A  108  .  ?        ?     ?     ?     ?  ?     
105  1  1  A  109  ASN  A  109  .  ?        ?     ?     ?     ?  ?     
106  1  1  A  110  GLN  A  110  .  ?        1     ?     ?     ?  ?     
107  1  1  A  111  ILE  A  111  .  ?        ?     ?     ?     ?  ?     
108  1  1  A  112  ILE  A  112  .  ?        ?     ?     ?     ?  ?     
109  1  1  A  113  GLU  A  113  .  ?        ?     ?     ?     ?  ?     
110  1  1  A  114  GLN  A  114  .  ?        ?     ?     ?     ?  ?     
111  1  1  A  115  LEU  A  115  .  ?        1     ?     ?     ?  ?     
112  1  1  A  116  ILE  A  116  .  ?        ?     ?     ?     ?  ?     
113  1  1  A  117  LYS  A  117  .  ?        ?     ?     ?     ?  ?     
114  1  1  A  118  LYS  A  118  .  ?        ?     ?     ?     ?  ?     
115  1  1  A  119  GLU  A  119  .  ?        ?     ?     ?     ?  ?     
116  1  1  A  120  LYS  A  120  .  ?        ?     ?     ?     ?  ?     
117  1  1  A  121  VAL  A  121  .  ?        1     ?     ?     ?  ?     
118  1  1  A  122  TYR  A  122  .  ?        1     ?     ?     ?  ?     
119  1  1  A  123  LEU  A  123  .  ?        1     ?     ?     ?  ?     
120  1  1  A  124  ALA  A  124  .  ?        1     ?     ?     ?  ?     
121  1  1  A  125  TRP  A  125  .  ?        1     ?     ?     ?  ?     
122  1  1  A  126  VAL  A  126  .  ?        ?     ?     ?     ?  ?     
123  1  1  A  127  PRO  A  127  .  ?        ?     ?     ?     ?  ?     
124  1  1  A  128  ALA  A  128  .  ?        ?     ?     ?     ?  ?     
125  1  1  A  129  HIS  A  129  .  ?        ?     ?     ?     ?  ?     
126  1  1  A  130  LYS  A  130  .  ?        ?     ?     ?     ?  ?     
127  1  1  A  131  GLY  A  131  .  ?        ?     ?     ?     ?  ?     
128  1  1  A  132  ILE  A  132  .  ?        ?     ?     ?     ?  ?     
129  1  1  A  133  GLY  A  133  .  ?        1     ?     ?     ?  ?     
130  1  1  A  134  GLY  A  134  .  ?        ?     ?     ?     ?  ?     
131  1  1  A  135  ASN  A  135  .  ?        ?     ?     ?     ?  ?     
132  1  1  A  136  GLU  A  136  .  ?        1     ?     ?     ?  ?     
133  1  1  A  137  GLN  A  137  .  ?        1     ?     ?     ?  ?     
134  1  1  A  138  VAL  A  138  .  ?        1     ?     ?     ?  ?     
135  1  1  A  139  ASP  A  139  .  ?        ?     ?     ?     ?  ?     
136  1  1  A  140  LYS  A  140  .  ?        1     ?     ?     ?  ?     
137  1  1  A  141  LEU  A  141  .  ?        ?     ?     ?     ?  ?     
138  1  1  A  142  VAL  A  142  .  ?        1     ?     ?     ?  ?     
139  1  1  A  143  SER  A  143  .  ?        ?     ?     ?     ?  ?     
140  1  1  A  144  ALA  A  144  .  ?        ?     ?     ?     ?  ?     
141  1  1  A  145  GLY  A  145  .  ?        ?     ?     ?     ?  ?     
142  1  1  A  146  ILE  A  146  .  ?        1     ?     ?     ?  ?     
143  1  1  A  147  ARG  A  147  .  ?        2     ?     ?     ?  ?     
144  1  1  A  148  LYS  A  148  .  ?        ?     ?     ?     ?  ?     
145  1  1  A  149  VAL  A  149  .  ?        ?     ?     ?     ?  ?     
146  1  2  B    .  MN   A  201  .  ?        ?     ?     ?     ?  ?     
147  1  2  C    .  MN   A  202  .  ?        ?     ?     ?     ?  ?     
148  1  3  D    .  ZN   A  203  .  ?        ?     ?     ?     ?  Y     
149  1  3  E    .  ZN   A  204  .  ?        ?     ?     ?     ?  Y     
150  1  4  F    .  E6I  A  205  .  ?        2     2     1     3  ?     
151  1  5  G    .  HOH  A  301  .  ?        ?     ?     ?     ?  ?     
152  1  5  G    .  HOH  A  302  .  ?        ?     ?     ?     ?  ?     
153  1  5  G    .  HOH  A  303  .  ?        ?     ?     ?     ?  ?     
#
loop_
_pdbx_vrpt_model_instance_geometry.ordinal
_pdbx_vrpt_model_instance_geometry.instance_id
_pdbx_vrpt_model_instance_geometry.rotamer_class
_pdbx_vrpt_model_instance_geometry.phi
_pdbx_vrpt_model_instance_geometry.psi
_pdbx_vrpt_model_instance_geometry.ramachandran_class
_pdbx_vrpt_model_instance_geometry.flippable_sidechain
_pdbx_vrpt_model_instance_geometry.num_H_reduce
_pdbx_vrpt_model_instance_geometry.OWAB
_pdbx_vrpt_model_instance_geometry.num_bonds_RMSZ
_pdbx_vrpt_model_instance_geometry.bonds_RMSZ
_pdbx_vrpt_model_instance_geometry.num_angles_RMSZ
_pdbx_vrpt_model_instance_geometry.angles_RMSZ
_pdbx_vrpt_model_instance_geometry.program_for_bond_angle_geometry
_pdbx_vrpt_model_instance_geometry.average_occupancy
  1    1  OUTLIER       ?       ?  ?           ?     4  76.260     6  0.30     8  0.87  molprobity  1.000  
  2    2  ttm       -68.9   -16.8  Favored     ?     9  75.170     8  0.29    10  0.98  molprobity  1.000  
  3    3  t80      -165.7   173.7  Favored     ?     9  65.150    13  0.31    18  0.73  molprobity  1.000  
  4    4  OUTLIER  -135.3   128.3  Favored     ?     8  66.260     9  0.33    12  0.45  molprobity  1.000  
  5    5  mt        -81.1   154.0  Favored     ?    11  52.210     8  0.30    11  0.49  molprobity  1.000  
  6    6  mm-40     -70.4   152.2  Favored     ?     6  46.960     9  0.56    12  0.55  molprobity  1.000  
  7    7  mttp      -92.0   -10.6  Favored     ?    13  56.150     9  0.35    11  0.60  molprobity  1.000  
  8    8  pm0      -147.4   165.2  Favored     ?     6  48.530     9  0.99    13  0.96  molprobity  1.000  
  9    9  Cg_exo    -53.8   144.0  Favored     ?     7  43.560     8  0.28    11  0.56  molprobity  1.000  
 10   10  mt        -76.9   116.3  Favored     ?    11  41.230     8  0.38    11  0.58  molprobity  1.000  
 11   11  t         -69.9   137.4  Favored     ?     9  44.330     7  0.68    10  0.69  molprobity  1.000  
 12   12  ?          89.8   -30.8  Favored     ?     3  47.160     4  0.42     5  0.61  molprobity  1.000  
 13   13  ?         -73.3   148.2  Favored     ?     5  43.780     5  0.32     7  0.50  molprobity  1.000  
 14   14  tt0       -65.8   137.7  Favored     ?     6  44.890     9  0.63    12  0.50  molprobity  1.000  
 15   15  m        -104.0   130.4  Favored     ?     7  41.670     7  0.22    10  0.52  molprobity  1.000  
 16   16  m-85     -105.5   117.9  Favored     ?     9  42.300    12  0.58    16  0.40  molprobity  1.000  
 17   17  m-85      -91.3   107.5  Favored     ?     9  41.290    13  0.61    18  0.60  molprobity  1.000  
 18   18  m         -98.9   150.6  Favored     ?     9  36.160     7  0.84    10  0.58  molprobity  1.000  
 19   19  t0       -160.3   157.5  Favored     ?     4  40.020     8  0.40    11  0.71  molprobity  1.000  
 20   20  ?        -141.9   157.4  Favored     ?     3  43.940     4  0.58     5  1.17  molprobity  1.000  
 21   21  ?        -147.3   137.5  Favored     ?     5  42.480     5  0.39     7  0.88  molprobity  1.000  
 22   22  ?        -134.4   159.8  Favored     ?     5  42.620     5  0.54     7  0.73  molprobity  1.000  
 23   23  t-20     -110.9   123.3  Favored     ?     6  45.510     8  0.26    11  0.43  molprobity  1.000  
 24   24  mtm-85    -67.3   -30.4  Favored     ?    13  58.230    11  0.37    14  0.93  molprobity  1.000  
 25   25  mp0       -70.0   -42.5  Favored     ?     6  46.200     9  0.34    12  0.45  molprobity  1.000  
 26   26  p        -102.0   -13.3  Favored     ?     7  39.490     7  0.40    10  0.80  molprobity  1.000  
 27   27  mmmt       60.4    22.1  Favored     ?    13  48.030     9  0.44    11  0.45  molprobity  1.000  
 28   28  mt        -90.3   148.5  Favored     ?    11  36.070     8  0.40    11  1.35  molprobity  1.000  
 29   29  ?        -161.2  -177.6  Favored     ?     3  41.990     4  0.33     5  0.83  molprobity  1.000  
 30   30  mttt     -146.9   145.8  Favored     ?    13  42.210     9  0.44    11  0.85  molprobity  1.000  
 31   31  ?        -132.6   145.2  Favored     ?     5  43.970     5  0.32     7  0.89  molprobity  1.000  
 32   32  ?        -177.4  -165.1  Favored     ?     3  41.260     4  0.50     5  0.78  molprobity  1.000  
 33   33  p90      -154.6   156.3  Favored     ?     9  39.980    13  0.50    18  0.61  molprobity  1.000  
 34   34  m        -125.0   147.1  Favored     ?     9  43.060     7  0.35    10  0.67  molprobity  1.000  
 35   35  p        -123.1   163.6  Favored     ?     7  41.090     7  0.24    10  0.91  molprobity  1.000  
 36   36  p-10      -83.5     2.6  Favored     ?     6  46.730     8  0.56    11  0.51  molprobity  1.000  
 37   37  mtt180   -102.8    32.1  Favored     ?    13  52.330    11  0.40    14  1.08  molprobity  1.000  
 38   38  ?          63.2    27.1  Favored     ?     3  49.090     4  0.24     5  0.59  molprobity  1.000  
 39   39  mtm180    -93.3   149.2  Favored     ?    13  50.220    11  0.42    14  0.96  molprobity  1.000  
 40   40  pt20     -158.1   152.7  Favored     ?     8  48.410     9  0.44    12  0.64  molprobity  1.000  
 41   41  ttmt     -155.0   142.5  Favored     ?    13  43.430     9  0.35    11  0.62  molprobity  1.000  
 42   42  t        -138.7   131.4  Favored     ?     9  44.110     7  0.36    10  0.58  molprobity  1.000  
 43   43  m        -118.0   148.9  Favored     ?     9  47.190     7  0.32    10  0.48  molprobity  1.000  
 44   44  m        -101.0   146.3  Favored     ?     7  48.700     7  0.20    10  0.40  molprobity  1.000  
 45   45  mt       -139.0   150.2  Favored     ?    11  39.990     8  0.32    11  0.54  molprobity  1.000  
 46   46  p        -121.5   158.1  Favored     ?     7  37.040     7  0.52    10  0.54  molprobity  1.000  
 47   47  m-20       60.0    37.1  Favored     ?     4  42.110     8  0.23    11  0.66  molprobity  1.000  
 48   48  t        -117.6   174.6  Favored     ?     7  41.080     7  0.27    10  0.59  molprobity  1.000  
 49   49  p        -134.7   172.7  Favored     ?     7  43.580     7  0.28    10  0.74  molprobity  1.000  
 50   50  m-80      -62.9   -42.6  Favored     ?     6  46.060     8  0.34    11  0.28  molprobity  1.000  
 51   51  mt-30     -60.3   -43.5  Favored     ?     8  44.810     9  0.28    12  0.52  molprobity  1.000  
 52   52  mtpt      -63.9   -43.9  Favored     ?    13  46.610     9  0.66    11  0.36  molprobity  1.000  
 53   53  p         -63.9   -39.1  Favored     ?     7  37.310     7  0.60    10  0.50  molprobity  1.000  
 54   54  mm-40     -59.3   -46.1  Favored     ?     6  36.220     9  0.59    12  0.63  molprobity  1.000  
 55   55  mt        -65.6   -38.0  Favored     ?    11  40.710     8  0.45    11  0.59  molprobity  1.000  
 56   56  mm-40     -66.6   -37.9  Favored     ?     8  46.470     9  0.58    12  0.33  molprobity  1.000  
 57   57  ?         -58.8   -44.7  Favored     ?     5  39.080     5  0.28     7  0.46  molprobity  1.000  
 58   58  mt        -60.7   -45.0  Favored     ?    11  40.360     8  0.42    11  0.44  molprobity  1.000  
 59   59  t80       -55.0   -45.0  Favored     ?     9  46.730    13  0.40    18  0.38  molprobity  1.000  
 60   60  mt        -63.6   -36.0  Favored     ?    11  41.230     8  0.24    11  0.83  molprobity  1.000  
 61   61  ?         -68.3   -39.6  Favored     ?     5  41.690     5  0.23     7  0.34  molprobity  1.000  
 62   62  mt        -66.4   -36.0  Favored     ?    11  42.960     8  0.31    11  0.39  molprobity  1.000  
 63   63  tt0       -64.9   -42.4  Favored     ?     8  47.350     9  0.35    12  0.40  molprobity  1.000  
 64   64  m-20      -96.8     4.6  Favored     ?     4  44.480     8  0.17    11  0.62  molprobity  1.000  
 65   65  p        -110.8   161.2  Favored     ?     5  41.870     6  0.40     8  0.51  molprobity  1.000  
 66   66  ?         -65.7  -168.3  Favored     ?     3  43.110     4  0.34     5  0.35  molprobity  1.000  
 67   67  mt        -70.1   -18.2  Favored     ?    11  45.190     8  0.30    11  1.10  molprobity  1.000  
 68   68  mp0      -127.5   127.8  Favored     ?     6  42.520     9  0.25    12  0.54  molprobity  1.000  
 69   69  p        -145.8   139.8  Favored     ?     9  41.080     7  0.18    10  0.73  molprobity  1.000  
 70   70  m-20     -101.2   124.8  Favored     ?     6  41.450     8  0.58    11  0.40  molprobity  1.000  
 71   71  mt       -122.6   121.5  Favored     ?    11  38.720     8  0.23    11  0.55  molprobity  1.000  
 72   72  t        -109.8   117.8  Favored     ?     9  38.820     7  0.27    10  0.41  molprobity  1.000  
 73   73  t        -121.1   153.2  Favored     ?     7  36.430     7  0.50    10  0.49  molprobity  1.000  
 74   74  p30      -105.2    10.5  Favored     ?     4  39.620     8  0.52    11  0.69  molprobity  1.000  
 75   75  t        -105.6   109.4  Favored     ?     5  38.520     6  0.57     8  0.49  molprobity  1.000  
 76   76  mt-30     -66.2   -37.2  Favored     1     8  48.730     9  0.40    12  0.25  molprobity  1.000  
 77   77  t80       -55.0   -53.1  Favored     ?     9  46.390    13  0.38    18  0.31  molprobity  1.000  
 78   78  ?         -58.8   -45.9  Favored     ?     5  38.870     5  0.28     7  0.45  molprobity  1.000  
 79   79  tp        -64.1   -44.7  Favored     ?    11  41.750     8  0.37    11  0.67  molprobity  1.000  
 80   80  ?         -62.3   -53.8  Favored     ?     3  43.800     4  0.17     5  0.50  molprobity  1.000  
 81   81  tp        -61.8   -40.9  Favored     ?    11  44.050     8  0.23    11  0.53  molprobity  1.000  
 82   82  mt        -63.9   -49.4  Favored     ?    11  42.850     8  0.37    11  0.53  molprobity  1.000  
 83   83  m         -64.4   -36.4  Favored     ?     7  44.080     7  0.23    10  0.52  molprobity  1.000  
 84   84  mt-30     -65.0   -45.3  Favored     ?     8  47.640     9  0.34    12  0.34  molprobity  1.000  
 85   85  t-105     -57.9   -46.0  Favored     ?    10  55.860    16  0.31    23  0.48  molprobity  1.000  
 86   86  mt        -62.1   -50.6  Favored     ?    11  53.460     8  0.41    11  0.48  molprobity  1.000  
 87   87  m170      -65.0   -32.7  Favored     ?     7  50.870    11  0.22    15  0.36  molprobity  1.000  
 88   88  m-80     -107.4    39.3  Allowed     ?     6  55.680     8  0.15    11  0.69  molprobity  1.000  
 89   89  t-105     -91.0   133.7  Favored     ?    10  82.110    16  0.43    23  0.76  molprobity  1.000  
 90   90  mtmt       60.5    19.7  Favored     ?    13  84.990     9  0.70    11  0.61  molprobity  1.000  
 91   91  mttt     -110.9   168.7  Favored     ?    13  81.720     9  0.28    11  0.53  molprobity  1.000  
 92   92  ptt180    -55.5   -71.6  Allowed     ?    13  82.910    11  0.59    14  1.18  molprobity  1.000  
 93   93  ?         -79.8    31.1  Favored     ?     3  70.540     4  0.24     5  0.61  molprobity  1.000  
 94   94  t-105     -90.1   131.6  Favored     ?    10  71.520    16  0.90    23  0.54  molprobity  1.000  
 95   95  tttt     -135.8   112.9  Favored     ?    13  63.000     9  0.41    11  0.69  molprobity  1.000  
 96   96  p         -61.0   155.4  Favored     ?     7  63.330     7  0.23    11  0.52  molprobity  1.000  
 97   97  Cg_endo   -71.6   159.7  Favored     ?     7  61.960     8  0.35    11  0.56  molprobity  1.000  
 98   98  t         -80.2   -61.8  Allowed     ?     9  65.610     7  0.37    10  0.44  molprobity  1.000  
 99   99  pttt      -69.5   142.2  Favored     ?    13  56.700     9  0.52    11  0.74  molprobity  1.000  
100  100  m-20       64.2    14.9  Favored     ?     6  50.600     8  0.19    11  0.52  molprobity  1.000  
101  101  p         -61.6   -35.8  Favored     ?     9  54.270     7  0.25    10  0.52  molprobity  1.000  
102  102  m-20      -63.8   -47.2  Favored     ?     4  56.960     8  0.25    11  0.35  molprobity  1.000  
103  103  tp        -63.9   -47.1  Favored     ?    11  49.300     8  0.27    11  0.70  molprobity  1.000  
104  104  t         -61.7   -34.5  Favored     ?     9  48.800     7  0.29    10  0.58  molprobity  1.000  
105  105  t30       -74.8   -30.7  Favored     ?     6  56.490     8  0.24    11  0.48  molprobity  1.000  
106  106  mt-30     -67.6   -40.2  Favored     1     8  54.360     9  0.31    12  0.26  molprobity  1.000  
107  107  mt        -56.5   -45.4  Favored     ?    11  45.170     8  0.25    11  0.39  molprobity  1.000  
108  108  mm        -62.7   -34.6  Favored     ?    11  50.300     8  0.32    11  0.67  molprobity  1.000  
109  109  mm-40     -66.5   -45.6  Favored     ?     6  63.300     9  0.54    12  0.35  molprobity  1.000  
110  110  mm-40     -56.6   -37.0  Favored     ?     8  58.200     9  0.42    12  0.38  molprobity  1.000  
111  111  tp        -68.5   -50.1  Favored     ?    11  51.120     8  0.27    11  1.31  molprobity  1.000  
112  112  pp        -69.9   -17.4  Favored     ?    11  56.810     8  0.22    11  0.52  molprobity  1.000  
113  113  mtmm      -68.2   -20.5  Favored     ?    13  61.180     9  0.37    11  0.50  molprobity  1.000  
114  114  mmtt      -75.1   157.7  Favored     ?    13  49.310     9  0.49    11  0.50  molprobity  1.000  
115  115  tt0       -79.3   -53.2  Favored     ?     6  49.770     9  0.21    12  0.37  molprobity  1.000  
116  116  mttt     -142.9   136.0  Favored     ?    13  50.350     9  0.25    11  0.73  molprobity  1.000  
117  117  t        -129.7   132.5  Favored     ?     9  43.220     7  0.31    10  0.55  molprobity  1.000  
118  118  t80      -112.2   117.4  Favored     ?     9  43.300    13  0.38    18  0.42  molprobity  1.000  
119  119  tp       -124.9   117.5  Favored     ?    11  43.440     8  0.21    11  0.48  molprobity  1.000  
120  120  ?        -129.5   149.6  Favored     ?     5  43.780     5  0.17     7  0.61  molprobity  1.000  
121  121  t90       -99.2   134.3  Favored     ?    10  45.830    16  0.57    23  0.36  molprobity  1.000  
122  122  m        -129.2   145.5  Favored     ?     9  43.630     7  0.34    11  0.50  molprobity  1.000  
123  123  Cg_endo   -62.1   144.8  Favored     ?     7  45.290     8  0.26    11  0.51  molprobity  1.000  
124  124  ?         -52.0   133.9  Favored     ?     5  42.880     5  0.47     7  0.61  molprobity  1.000  
125  125  p-80     -147.5   166.4  Favored     ?     7  42.140    11  0.29    15  0.48  molprobity  1.000  
126  126  OUTLIER   -98.4   162.8  Favored     ?    13  60.400     9  0.53    11  0.62  molprobity  1.000  
127  127  ?         136.7  -150.4  Favored     ?     3  60.230     4  0.65     5  0.65  molprobity  1.000  
128  128  pp       -128.4    -1.9  Favored     ?    11  61.860     8  0.30    11  0.69  molprobity  1.000  
129  129  ?         -62.2  -170.3  Allowed     ?     3  51.550     4  0.52     5  0.46  molprobity  1.000  
130  130  ?         -66.9   -45.0  Favored     ?     3  45.940     4  0.36     5  0.40  molprobity  1.000  
131  131  t-20      -60.1   -36.4  Favored     ?     6  43.100     8  0.74    11  0.18  molprobity  1.000  
132  132  mp0       -64.5   -43.4  Favored     ?     6  46.330     9  0.95    12  0.42  molprobity  1.000  
133  133  mt-30     -71.0   -45.6  Favored     ?     8  50.690     9  0.28    12  0.38  molprobity  1.000  
134  134  p         -67.5   -30.4  Favored     ?     9  40.050     7  0.49    10  0.60  molprobity  1.000  
135  135  t70       -58.6   -55.2  Favored     ?     4  45.800     8  0.85    11  1.76  molprobity  1.000  
136  136  OUTLIER   -54.5   -39.5  Favored     ?    13  55.860     9  0.76    11  0.46  molprobity  1.000  
137  137  mt        -66.7   -41.3  Favored     ?    11  44.410     8  0.28    11  0.94  molprobity  1.000  
138  138  m         -82.8   -17.6  Favored     ?     9  42.710     7  0.34    10  0.43  molprobity  1.000  
139  139  m         -84.3   -18.3  Favored     ?     5  45.710     6  0.54     8  0.23  molprobity  1.000  
140  140  ?         -59.6   122.3  Favored     ?     5  42.780     5  0.35     7  0.31  molprobity  1.000  
141  141  ?          75.7    -3.3  Favored     ?     3  44.010     4  0.58     5  0.49  molprobity  1.000  
142  142  mm       -111.7   -37.1  Favored     ?    11  42.910     8  0.43    11  0.43  molprobity  1.000  
143  143  OUTLIER  -152.4   138.2  Favored     ?    13  58.840    11  0.54    14  1.08  molprobity  1.000  
144  144  mtpp      -64.6   133.3  Favored     ?    13  64.130     9  0.60    11  0.86  molprobity  1.000  
145  145  m             ?       ?  ?           ?     9  69.120     6  0.48     7  0.38  molprobity  1.000  
146  146  ?             ?       ?  ?           ?     ?  35.870     ?     ?     ?     ?  ?           1.000  
147  147  ?             ?       ?  ?           ?     ?  60.850     ?     ?     ?     ?  ?           1.000  
148  148  ?             ?       ?  ?           ?     ?  41.740     ?     ?     ?     ?  ?           1.000  
149  149  ?             ?       ?  ?           ?     ?  44.850     ?     ?     ?     ?  ?           1.000  
150  150  ?             ?       ?  ?           ?     ?  71.880     7  6.09     6  1.52  mogul       1.000  
151  151  ?             ?       ?  ?           ?     ?  23.050     ?     ?     ?     ?  ?           1.000  
152  152  ?             ?       ?  ?           ?     ?  34.700     ?     ?     ?     ?  ?           1.000  
153  153  ?             ?       ?  ?           ?     ?  49.020     ?     ?     ?     ?  ?           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    2  HG2    1  0.48  2.13  
 2    2  O      1  0.48  2.13  
 3   14  OE1    2  0.62  2.29  
 4   29  HA2    3  0.40  2.03  
 5   39  NH2    2  0.62  2.29  
 6   76  HG2    4  0.47  2.30  
 7   79  HD13   5  0.47  1.97  
 8  102  O      6  0.43  2.19  
 9  106  HG3    6  0.43  2.19  
10  111  HD12   7  0.44  2.00  
11  117  HG21   7  0.44  2.00  
12  118  CZ     8  0.46  2.50  
13  119  HG     5  0.47  1.97  
14  120  HB2    8  0.46  2.50  
15  121  NE1    4  0.47  2.30  
16  129  O      9  0.41  2.21  
17  132  O     10  0.53  2.08  
18  133  HG3    9  0.41  2.21  
19  134  O     11  0.41  2.20  
20  136  HD2   10  0.53  2.08  
21  138  HG22  11  0.41  2.20  
22  142  HD12   3  0.40  2.03  
23  143  NE    12  0.68  2.08  
24  143  HA    12  0.68  2.08  
25  150  OAH   13  0.46  2.89  
26  150  BRAI  13  0.46  2.89  
#
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  150  CAB  NAF  1.36  1.45   28  0.02  -4.90  0.06  
2  150  OAG  NAF  1.48  1.22  158  0.02  15.18  0.17  
#
_pdbx_vrpt_instance_mogul_angle_outliers.ordinal      1
_pdbx_vrpt_instance_mogul_angle_outliers.instance_id  150
_pdbx_vrpt_instance_mogul_angle_outliers.atom_1       OAL
_pdbx_vrpt_instance_mogul_angle_outliers.atom_2       CAJ
_pdbx_vrpt_instance_mogul_angle_outliers.atom_3       CAE
_pdbx_vrpt_instance_mogul_angle_outliers.obsval       117.15
_pdbx_vrpt_instance_mogul_angle_outliers.mean         112.82
_pdbx_vrpt_instance_mogul_angle_outliers.numobs       335
_pdbx_vrpt_instance_mogul_angle_outliers.stdev        1.47
_pdbx_vrpt_instance_mogul_angle_outliers.Zscore       2.94
_pdbx_vrpt_instance_mogul_angle_outliers.mindiff      0.54
#
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  150  CAE  CAJ  OAL  CAM  -73.52  101.06    495   2.30  77.32  0.00  
2  150  OAK  CAJ  OAL  CAM   97.24   91.44   7052   3.74  15.27  0.00  
3  150  CAN  CAM  OAL  CAJ  -68.52   74.88  10000  37.51   0.06  2.41  
#
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   6  0.804  0.269   2.511  
  2    2   8  0.804  0.255   2.431  
  3    3  12  0.870  0.225   2.268  
  4    4   9  0.756  0.237   1.393  
  5    5   8  0.953  0.204   1.522  
  6    6   9  0.944  0.147  -0.125  
  7    7   9  0.914  0.175   0.179  
  8    8   9  0.903  0.164   0.106  
  9    9   7  0.963  0.121   0.049  
 10   10   8  0.946  0.123  -0.105  
 11   11   7  0.965  0.150   0.530  
 12   12   4  0.864  0.125   0.164  
 13   13   5  0.928  0.155   0.723  
 14   14   9  0.918  0.114  -0.573  
 15   15   7  0.954  0.133   0.250  
 16   16  11  0.936  0.129   0.180  
 17   17  12  0.937  0.115  -0.057  
 18   18   7  0.965  0.123  -0.014  
 19   19   8  0.949  0.144   0.175  
 20   20   4  0.911  0.153   0.636  
 21   21   5  0.937  0.132   0.296  
 22   22   5  0.946  0.126   0.184  
 23   23   8  0.908  0.109  -0.317  
 24   24  11  0.911  0.207   0.880  
 25   25   9  0.937  0.114  -0.573  
 26   26   7  0.946  0.140   0.379  
 27   27   9  0.946  0.153  -0.122  
 28   28   8  0.970  0.162   0.675  
 29   29   4  0.969  0.125   0.164  
 30   30   9  0.937  0.126  -0.492  
 31   31   5  0.933  0.156   0.742  
 32   32   4  0.933  0.115  -0.005  
 33   33  12  0.937  0.126   0.175  
 34   34   7  0.897  0.164   0.813  
 35   35   7  0.948  0.116  -0.065  
 36   36   8  0.948  0.100  -0.460  
 37   37  11  0.915  0.165   0.260  
 38   38   4  0.939  0.159   0.737  
 39   39  11  0.896  0.157   0.142  
 40   40   9  0.934  0.132  -0.165  
 41   41   9  0.912  0.149  -0.177  
 42   42   7  0.946  0.111  -0.256  
 43   43   7  0.939  0.133   0.188  
 44   44   7  0.911  0.147   0.508  
 45   45   8  0.912  0.128  -0.010  
 46   46   7  0.956  0.117  -0.046  
 47   47   8  0.929  0.113  -0.297  
 48   48   7  0.959  0.143   0.434  
 49   49   7  0.963  0.104  -0.287  
 50   50   8  0.922  0.249   1.905  
 51   51   9  0.902  0.167   0.355  
 52   52   9  0.900  0.178   0.221  
 53   53   7  0.979  0.099  -0.379  
 54   54   9  0.967  0.145  -0.152  
 55   55   8  0.958  0.155   0.534  
 56   56   9  0.918  0.157   0.206  
 57   57   5  0.958  0.122   0.110  
 58   58   8  0.927  0.162   0.695  
 59   59  12  0.916  0.122   0.091  
 60   60   8  0.966  0.132   0.071  
 61   61   5  0.972  0.113  -0.058  
 62   62   8  0.967  0.108  -0.413  
 63   63   9  0.924  0.122  -0.313  
 64   64   8  0.946  0.145   0.190  
 65   65   6  0.947  0.080  -0.720  
 66   66   4  0.950  0.161   0.771  
 67   67   8  0.940  0.143   0.292  
 68   68   9  0.959  0.104  -0.709  
 69   69   7  0.972  0.160   0.732  
 70   70   8  0.968  0.162   0.524  
 71   71   8  0.958  0.132   0.080  
 72   72   7  0.969  0.128   0.087  
 73   73   7  0.950  0.115  -0.083  
 74   74   8  0.935  0.132  -0.008  
 75   75   6  0.931  0.134   0.203  
 76   76   9  0.893  0.156   0.191  
 77   77  12  0.959  0.149   0.662  
 78   78   5  0.939  0.150   0.630  
 79   79   8  0.949  0.135   0.131  
 80   80   4  0.988  0.125   0.164  
 81   81   8  0.966  0.181   1.084  
 82   82   8  0.942  0.117  -0.227  
 83   83   7  0.956  0.169   0.915  
 84   84   9  0.921  0.136  -0.105  
 85   85  14  0.948  0.145   0.705  
 86   86   8  0.917  0.162   0.695  
 87   87  10  0.933  0.150   0.434  
 88   88   8  0.891  0.179   0.794  
 89   89  14  0.636  0.401   6.563  
 90   90   9  0.677  0.432   3.700  
 91   91   9  0.867  0.351   2.590  
 92   92  11  0.313  0.632   7.158  
 93   93   4  0.753  0.272   2.642  
 94   94  14  0.620  0.315   4.595  
 95   95   9  0.902  0.150  -0.163  
 96   96   7  0.915  0.211   1.691  
 97   97   7  0.923  0.195   1.345  
 98   98   7  0.865  0.188   1.296  
 99   99   9  0.904  0.212   0.686  
100  100   8  0.943  0.119  -0.159  
101  101   7  0.925  0.179   1.115  
102  102   8  0.940  0.102  -0.464  
103  103   8  0.935  0.129   0.010  
104  104   7  0.928  0.136   0.248  
105  105   8  0.925  0.189   0.952  
106  106   9  0.871  0.162   0.280  
107  107   8  0.959  0.129   0.018  
108  108   8  0.963  0.161   0.674  
109  109   9  0.855  0.206   0.677  
110  110   9  0.890  0.201   0.859  
111  111   8  0.956  0.166   0.756  
112  112   8  0.932  0.173   0.920  
113  113   9  0.895  0.149  -0.177  
114  114   9  0.949  0.112  -0.684  
115  115   9  0.945  0.108  -0.655  
116  116   9  0.944  0.135  -0.368  
117  117   7  0.947  0.104  -0.397  
118  118  12  0.950  0.140   0.471  
119  119   8  0.948  0.142   0.272  
120  120   5  0.979  0.141   0.463  
121  121  14  0.913  0.153   0.888  
122  122   7  0.974  0.158   0.692  
123  123   7  0.943  0.139   0.364  
124  124   5  0.977  0.135   0.351  
125  125  10  0.969  0.137   0.216  
126  126   9  0.819  0.179   0.234  
127  127   4  0.886  0.168   0.889  
128  128   8  0.910  0.240   2.293  
129  129   4  0.937  0.067  -0.815  
130  130   4  0.912  0.108  -0.123  
131  131   8  0.938  0.143   0.222  
132  132   9  0.948  0.145  -0.152  
133  133   9  0.939  0.171   0.414  
134  134   7  0.965  0.165   0.833  
135  135   8  0.937  0.157   0.373  
136  136   9  0.871  0.181   0.262  
137  137   8  0.942  0.124  -0.091  
138  138   7  0.951  0.138   0.288  
139  139   6  0.926  0.130   0.135  
140  140   5  0.954  0.127   0.203  
141  141   4  0.970  0.116   0.012  
142  142   8  0.944  0.125  -0.064  
143  143  11  0.699  0.347   2.948  
144  144   9  0.859  0.230   0.933  
145  145   7  0.654  0.279   3.131  
146  146   1  0.989  0.153       ?  
147  147   1  0.967  0.124       ?  
148  148   1  0.963  0.158       ?  
149  149   1  0.994  0.118       ?  
150  150  14  0.839  0.387       ?  
151  151   1  0.944  0.278       ?  
152  152   1  0.969  0.199       ?  
153  153   1  0.910  0.491       ?  
#
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          2.36                                                                  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  
##
