data_7XW1

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  7XW1
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    7XW1
_pdbx_vrpt_summary.PDB_deposition_date         2022-05-25
_pdbx_vrpt_summary.PDB_revision_number         2
_pdbx_vrpt_summary.PDB_revision_date           2023-11-29
_pdbx_vrpt_summary.report_creation_date        2023-11-21:13:48
_pdbx_vrpt_summary.attempted_validation_steps  molprobity,validation-pack,xtriage,eds,percentiles,writexml,writecif,writepdf
_pdbx_vrpt_summary.ligands_for_buster_report   N
#
_pdbx_vrpt_entity.id           1
_pdbx_vrpt_entity.type         polymer
_pdbx_vrpt_entity.description  "Carboxymuconolactone decarboxylase family protein"
#
_pdbx_vrpt_asym.label_asym_id  A
_pdbx_vrpt_asym.entity_id      1
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all   x-ray  
2  2.36  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   18.89  141614     ?     ?  
 2  2  1   20.62    1232  2.36  2.36  
 3  1  2  100.00  138981     ?     ?  
 4  2  2  100.00    1211  2.36  2.36  
 5  1  3   53.07  138945     ?     ?  
 6  2  3   64.60    1212  2.36  2.36  
 7  1  4    7.21  127900     ?     ?  
 8  2  4   11.65    1150  2.36  2.36  
 9  1  5    3.26  130704     ?     ?  
10  2  5    1.35    1164  2.36  2.36  
#
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   53.07  
4  6  3  A  1  1  A   64.60  
5  7  4  A  1  1  A    7.21  
6  8  4  A  1  1  A   11.65  
#
_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      0.81
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ       0.64
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ   1018
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ  1384
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  0.00
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       2.13
_pdbx_vrpt_summary_geometry.clashscore                     12.97
_pdbx_vrpt_summary_geometry.num_H_reduce                   928
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 1018
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.64
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                1384
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.81
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.Babinet_b                 110.516
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            50.539
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         55.633
_pdbx_vrpt_summary_diffraction.I_over_sigma              0.96(2.35A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        7184
_pdbx_vrpt_summary_diffraction.Babinet_k                 0.287
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.371
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.504
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.341
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.932
_pdbx_vrpt_summary_diffraction.DCC_R                     0.25
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.31
_pdbx_vrpt_summary_diffraction.EDS_R                     0.26
_pdbx_vrpt_summary_diffraction.EDS_res_high              2.36
_pdbx_vrpt_summary_diffraction.EDS_res_low               19.88
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[59.758,59.758,47.848,-0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.213
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 4.78% 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         98.53
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      719
_pdbx_vrpt_summary_diffraction.percent_free_reflections  10.01
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     9.77
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       2.36
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        19.88
_pdbx_vrpt_summary_diffraction.PDB_R                     0.26
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.31
#
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_angle_outliers
_pdbx_vrpt_model_instance.count_clashes
  1  1  1  A   10  ALA  A   10  .  ?        ?     1  
  2  1  1  A   11  SER  A   11  .  ?        ?     ?  
  3  1  1  A   12  PRO  A   12  .  ?        ?     1  
  4  1  1  A   13  ASP  A   13  .  ?        ?     ?  
  5  1  1  A   14  ALA  A   14  .  ?        ?     ?  
  6  1  1  A   15  TYR  A   15  .  ?        ?     1  
  7  1  1  A   16  ALA  A   16  .  ?        ?     ?  
  8  1  1  A   17  ALA  A   17  .  ?        ?     1  
  9  1  1  A   18  MET  A   18  .  ?        ?     ?  
 10  1  1  A   19  LEU  A   19  .  ?        ?     1  
 11  1  1  A   20  GLY  A   20  .  ?        ?     ?  
 12  1  1  A   21  LEU  A   21  .  ?        ?     3  
 13  1  1  A   22  GLU  A   22  .  ?        ?     ?  
 14  1  1  A   23  LYS  A   23  .  ?        ?     ?  
 15  1  1  A   24  ALA  A   24  .  ?        ?     ?  
 16  1  1  A   25  LEU  A   25  .  ?        ?     ?  
 17  1  1  A   26  ALA  A   26  .  ?        ?     ?  
 18  1  1  A   27  LYS  A   27  .  ?        ?     ?  
 19  1  1  A   28  ALA  A   28  .  ?        ?     ?  
 20  1  1  A   29  GLY  A   29  .  ?        ?     1  
 21  1  1  A   30  LEU  A   30  .  ?        ?     ?  
 22  1  1  A   31  GLU  A   31  .  ?        ?     1  
 23  1  1  A   32  ARG  A   32  .  ?        ?     5  
 24  1  1  A   33  PRO  A   33  .  ?        ?     1  
 25  1  1  A   34  LEU  A   34  .  ?        ?     ?  
 26  1  1  A   35  ILE  A   35  .  ?        ?     ?  
 27  1  1  A   36  GLU  A   36  .  ?        ?     ?  
 28  1  1  A   37  LEU  A   37  .  ?        ?     ?  
 29  1  1  A   38  VAL  A   38  .  ?        ?     2  
 30  1  1  A   39  TYR  A   39  .  ?        ?     ?  
 31  1  1  A   40  LEU  A   40  .  ?        ?     ?  
 32  1  1  A   41  ARG  A   41  .  ?        ?     ?  
 33  1  1  A   42  THR  A   42  .  ?        ?     1  
 34  1  1  A   43  SER  A   43  .  ?        ?     ?  
 35  1  1  A   44  GLN  A   44  .  ?        ?     ?  
 36  1  1  A   45  ILE  A   45  .  ?        ?     ?  
 37  1  1  A   46  ASN  A   46  .  ?        ?     ?  
 38  1  1  A   47  GLY  A   47  .  ?        ?     ?  
 39  1  1  A   48  CYS  A   48  .  ?        ?     ?  
 40  1  1  A   49  ALA  A   49  .  ?        ?     ?  
 41  1  1  A   50  TYR  A   50  .  ?        ?     ?  
 42  1  1  A   51  CYS  A   51  .  ?        ?     ?  
 43  1  1  A   52  VAL  A   52  .  ?        ?     ?  
 44  1  1  A   53  ASN  A   53  .  ?        ?     1  
 45  1  1  A   54  MET  A   54  .  ?        ?     ?  
 46  1  1  A   55  HIS  A   55  .  ?        ?     ?  
 47  1  1  A   56  ALA  A   56  .  ?        ?     ?  
 48  1  1  A   57  ASN  A   57  .  ?        ?     1  
 49  1  1  A   58  ASP  A   58  .  ?        ?     ?  
 50  1  1  A   59  ALA  A   59  .  ?        ?     ?  
 51  1  1  A   60  ARG  A   60  .  ?        ?     1  
 52  1  1  A   61  LYS  A   61  .  ?        ?     ?  
 53  1  1  A   62  ALA  A   62  .  ?        ?     ?  
 54  1  1  A   63  GLY  A   63  .  ?        ?     ?  
 55  1  1  A   64  GLU  A   64  .  ?        ?     1  
 56  1  1  A   65  THR  A   65  .  ?        ?     ?  
 57  1  1  A   66  GLU  A   66  .  ?        ?     1  
 58  1  1  A   67  GLN  A   67  .  ?        ?     ?  
 59  1  1  A   68  ARG  A   68  .  ?        ?     1  
 60  1  1  A   69  LEU  A   69  .  ?        ?     ?  
 61  1  1  A   70  GLN  A   70  .  ?        ?     ?  
 62  1  1  A   71  ALA  A   71  .  ?        ?     1  
 63  1  1  A   72  LEU  A   72  .  ?        ?     ?  
 64  1  1  A   73  CYS  A   73  .  ?        ?     ?  
 65  1  1  A   74  VAL  A   74  .  ?        ?     ?  
 66  1  1  A   75  TRP  A   75  .  ?        ?     ?  
 67  1  1  A   76  GLN  A   76  .  ?        ?     1  
 68  1  1  A   77  GLU  A   77  .  ?        ?     2  
 69  1  1  A   78  THR  A   78  .  ?        ?     1  
 70  1  1  A   79  PRO  A   79  .  ?        ?     ?  
 71  1  1  A   80  TYR  A   80  .  ?        ?     ?  
 72  1  1  A   81  PHE  A   81  .  ?        ?     ?  
 73  1  1  A   82  THR  A   82  .  ?        ?     1  
 74  1  1  A   83  PRO  A   83  .  ?        ?     ?  
 75  1  1  A   84  ARG  A   84  .  ?        ?     1  
 76  1  1  A   85  GLU  A   85  .  ?        ?     ?  
 77  1  1  A   86  ARG  A   86  .  ?        ?     2  
 78  1  1  A   87  ALA  A   87  .  ?        ?     ?  
 79  1  1  A   88  ALA  A   88  .  ?        ?     1  
 80  1  1  A   89  LEU  A   89  .  ?        ?     ?  
 81  1  1  A   90  ALA  A   90  .  ?        ?     ?  
 82  1  1  A   91  TRP  A   91  .  ?        ?     ?  
 83  1  1  A   92  THR  A   92  .  ?        ?     2  
 84  1  1  A   93  GLU  A   93  .  ?        ?     1  
 85  1  1  A   94  GLN  A   94  .  ?        ?     ?  
 86  1  1  A   95  LEU  A   95  .  ?        ?     ?  
 87  1  1  A   96  ALA  A   96  .  ?        ?     ?  
 88  1  1  A   97  ARG  A   97  .  ?        ?     1  
 89  1  1  A   98  LEU  A   98  .  ?        ?     ?  
 90  1  1  A   99  SER  A   99  .  ?        ?     ?  
 91  1  1  A  100  GLN  A  100  .  ?        ?     ?  
 92  1  1  A  101  GLY  A  101  .  ?        ?     ?  
 93  1  1  A  102  PRO  A  102  .  ?        1     ?  
 94  1  1  A  103  LEU  A  103  .  ?        ?     ?  
 95  1  1  A  104  PRO  A  104  .  ?        ?     ?  
 96  1  1  A  105  HIS  A  105  .  ?        ?     ?  
 97  1  1  A  106  GLY  A  106  .  ?        ?     ?  
 98  1  1  A  107  LEU  A  107  .  ?        ?     ?  
 99  1  1  A  108  LEU  A  108  .  ?        ?     ?  
100  1  1  A  109  ASP  A  109  .  ?        ?     ?  
101  1  1  A  110  GLU  A  110  .  ?        ?     ?  
102  1  1  A  111  LEU  A  111  .  ?        ?     ?  
103  1  1  A  112  ARG  A  112  .  ?        ?     ?  
104  1  1  A  113  GLU  A  113  .  ?        ?     ?  
105  1  1  A  114  HIS  A  114  .  ?        ?     ?  
106  1  1  A  115  PHE  A  115  .  ?        ?     ?  
107  1  1  A  116  ASP  A  116  .  ?        ?     ?  
108  1  1  A  117  ASP  A  117  .  ?        ?     ?  
109  1  1  A  118  LYS  A  118  .  ?        ?     ?  
110  1  1  A  119  GLU  A  119  .  ?        ?     ?  
111  1  1  A  120  ILE  A  120  .  ?        ?     ?  
112  1  1  A  121  ALA  A  121  .  ?        ?     ?  
113  1  1  A  122  GLU  A  122  .  ?        ?     4  
114  1  1  A  123  LEU  A  123  .  ?        ?     1  
115  1  1  A  124  THR  A  124  .  ?        ?     ?  
116  1  1  A  125  LEU  A  125  .  ?        1     3  
117  1  1  A  126  ALA  A  126  .  ?        ?     1  
118  1  1  A  127  VAL  A  127  .  ?        ?     1  
119  1  1  A  128  SER  A  128  .  ?        ?     ?  
120  1  1  A  129  ALA  A  129  .  ?        ?     ?  
121  1  1  A  130  ILE  A  130  .  ?        ?     1  
122  1  1  A  131  ASN  A  131  .  ?        ?     ?  
123  1  1  A  132  ALA  A  132  .  ?        ?     ?  
124  1  1  A  133  TRP  A  133  .  ?        ?     ?  
125  1  1  A  134  ASN  A  134  .  ?        ?     ?  
126  1  1  A  135  ARG  A  135  .  ?        ?     ?  
127  1  1  A  136  PHE  A  136  .  ?        ?     ?  
128  1  1  A  137  GLY  A  137  .  ?        ?     ?  
129  1  1  A  138  VAL  A  138  .  ?        ?     ?  
130  1  1  A  139  GLY  A  139  .  ?        ?     ?  
131  1  1  A  140  MET  A  140  .  ?        ?     ?  
132  1  1  A  141  GLY  A  141  .  ?        ?     ?  
133  1  1  A  142  MET  A  142  .  ?        ?     ?  
#
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  ?             ?      ?  ?         4  102.210   5  0.57   7  0.60  molprobity  1.000  
  2    2  m        -113.7   65.4  Allowed   5  103.270   6  0.34   9  0.78  molprobity  1.000  
  3    3  Cg_exo    -57.0  -27.3  Favored   7  117.110   8  0.38  11  0.41  molprobity  1.000  
  4    4  m-20      -64.2  -22.7  Favored   4  117.160   8  0.70  11  0.43  molprobity  1.000  
  5    5  ?         -77.5  -55.0  Favored   5  112.630   5  0.40   7  0.29  molprobity  1.000  
  6    6  ?         -50.6  -44.8  Favored   2  103.620   5  0.22   7  0.22  molprobity  1.000  
  7    7  ?         -73.8  -38.1  Favored   5  108.480   5  0.32   7  0.59  molprobity  1.000  
  8    8  ?         -54.8  -31.8  Favored   5   96.130   5  0.34   7  0.43  molprobity  1.000  
  9    9  mmm       -78.9  -28.2  Favored   9   83.260   8  0.34  10  1.34  molprobity  1.000  
 10   10  mt        -79.9  -26.6  Favored  11   94.390   8  0.33  11  0.40  molprobity  1.000  
 11   11  ?         -66.4  -15.8  Favored   3   92.530   4  0.40   5  0.13  molprobity  1.000  
 12   12  mp        -76.4  -59.0  Favored  11   91.190   8  0.30  11  0.49  molprobity  1.000  
 13   13  mm-40     -58.8  -21.4  Favored   6   87.430   9  0.28  12  0.32  molprobity  1.000  
 14   14  ?         -69.6  -43.5  Favored   2   94.390   5  0.21   7  0.29  molprobity  1.000  
 15   15  ?         -68.2  -44.8  Favored   5   92.150   5  0.33   7  0.24  molprobity  1.000  
 16   16  ?         -57.4  -38.2  Favored   2   82.660   5  0.22   7  0.53  molprobity  1.000  
 17   17  ?         -65.0  -22.0  Favored   5   90.260   5  0.24   7  0.40  molprobity  1.000  
 18   18  ?         -92.8    9.0  Favored   2   89.160   5  0.28   7  0.41  molprobity  1.000  
 19   19  ?         -89.3  141.4  Favored   5   83.420   5  0.27   7  0.61  molprobity  1.000  
 20   20  ?         -75.6    6.2  Favored   3   73.950   4  0.66   5  0.90  molprobity  1.000  
 21   21  ?         -78.7  128.6  Favored   2   62.400   5  0.29   7  0.56  molprobity  1.000  
 22   22  pm0       -57.9  137.6  Favored   6   52.030   9  1.11  12  0.71  molprobity  1.000  
 23   23  ttt85     -67.0  -34.9  Favored  13   70.270  11  0.36  15  1.27  molprobity  1.000  
 24   24  Cg_exo    -55.8  -30.9  Favored   7   49.500   8  0.62  11  0.41  molprobity  1.000  
 25   25  tp        -78.7  -44.2  Favored  11   51.650   8  0.34  11  1.46  molprobity  1.000  
 26   26  pt        -66.9  -26.1  Favored  11   57.240   8  0.48  11  1.03  molprobity  1.000  
 27   27  mm-40     -70.7  -35.1  Favored   6   57.520   9  0.47  12  0.69  molprobity  1.000  
 28   28  ?         -66.4  -34.7  Favored   2   45.960   5  0.27   7  0.61  molprobity  1.000  
 29   29  t         -66.5  -47.0  Favored   9   47.970   7  0.58  10  0.55  molprobity  1.000  
 30   30  m-85      -65.8  -46.7  Favored   9   61.670  13  0.85  18  0.70  molprobity  1.000  
 31   31  tp        -62.9  -40.8  Favored  11   43.510   8  0.53  11  0.84  molprobity  1.000  
 32   32  tpt180    -70.0  -44.4  Favored  13   39.570  11  0.39  14  1.19  molprobity  1.000  
 33   33  p         -67.2  -31.1  Favored   7   43.000   7  0.50  10  0.61  molprobity  1.000  
 34   34  m         -65.6  -35.0  Favored   5   43.490   6  0.36   8  0.37  molprobity  1.000  
 35   35  mt-30     -56.3  -52.0  Favored   8   43.090   9  0.49  12  0.25  molprobity  1.000  
 36   36  mt        -64.3  -36.7  Favored  11   43.660   8  0.25  11  0.49  molprobity  1.000  
 37   37  m-20      -90.4   -4.0  Favored   6   43.930   8  0.45  11  0.90  molprobity  1.000  
 38   38  ?          71.2   23.1  Favored   3   46.860   4  0.63   5  0.67  molprobity  1.000  
 39   39  t         -81.9   97.1  Favored   4   46.400   6  0.40   8  0.67  molprobity  1.000  
 40   40  ?         -65.7  -36.5  Favored   5   53.280   5  0.46   7  0.36  molprobity  1.000  
 41   41  t80       -57.4  -52.8  Favored   9   74.580  13  0.45  18  0.47  molprobity  1.000  
 42   42  m         -61.8  -37.9  Favored   4   53.770   6  0.43   8  0.67  molprobity  1.000  
 43   43  t         -63.5  -44.1  Favored   9   46.710   7  0.77  10  0.73  molprobity  1.000  
 44   44  t30       -65.8  -42.2  Favored   6   57.100   8  0.60  11  0.81  molprobity  1.000  
 45   45  ttp       -56.5  -62.2  Allowed   9   60.190   8  0.39  10  0.84  molprobity  1.000  
 46   46  m80       -72.2  -36.9  Favored   7   60.300  11  0.39  15  0.65  molprobity  1.000  
 47   47  ?         -44.9  -59.1  Favored   5   59.170   5  0.28   7  0.69  molprobity  1.000  
 48   48  m-80      -64.2  -41.6  Favored   6   66.380   8  0.98  11  0.45  molprobity  1.000  
 49   49  m-20      -49.2  -51.3  Favored   4   67.640   8  0.41  11  0.38  molprobity  1.000  
 50   50  ?         -57.8  -42.4  Favored   5   65.580   5  0.28   7  0.36  molprobity  1.000  
 51   51  mtt85     -52.0  -53.0  Favored  13   61.960  11  1.01  14  1.13  molprobity  1.000  
 52   52  ?         -41.7  -69.5  Allowed   2   80.330   5  0.94   7  0.73  molprobity  1.000  
 53   53  ?         -65.4   11.8  Allowed   5   81.310   5  1.17   7  1.07  molprobity  1.000  
 54   54  ?          88.8   36.5  Favored   3   69.800   4  0.48   5  1.15  molprobity  1.000  
 55   55  mm-40     -89.2  149.4  Favored   6   55.510   9  1.04  12  1.19  molprobity  1.000  
 56   56  p         -80.8  159.0  Favored   7   52.060   7  0.99  10  1.96  molprobity  1.000  
 57   57  mm-40     -68.3  -27.5  Favored   6   51.790   9  1.13  12  0.51  molprobity  1.000  
 58   58  tt0       -70.3  -44.0  Favored   8   54.130   9  0.65  12  0.46  molprobity  1.000  
 59   59  mtm180    -69.5  -40.4  Favored  13   48.690  11  0.31  14  1.02  molprobity  1.000  
 60   60  mt        -54.1  -45.4  Favored  11   47.410   8  0.58  11  1.01  molprobity  1.000  
 61   61  pt20      -79.0  -10.7  Favored   8   46.920   9  0.62  12  0.53  molprobity  1.000  
 62   62  ?         -94.0  -16.7  Favored   5   44.400   5  0.36   7  0.55  molprobity  1.000  
 63   63  tp        -63.4  -39.9  Favored  11   45.090   8  0.49  11  0.95  molprobity  1.000  
 64   64  t         -45.7  -24.3  Allowed   5   56.180   6  0.79   8  0.51  molprobity  1.000  
 65   65  m        -139.6   30.3  Allowed   9   51.880   7  0.66  10  0.88  molprobity  1.000  
 66   66  p-90      -56.3  -35.0  Favored  10   53.370  16  0.63  23  0.64  molprobity  1.000  
 67   67  mp0       -46.5  -44.3  Favored   8   62.130   9  0.65  12  0.75  molprobity  1.000  
 68   68  mp0       -85.9   11.8  Favored   6   65.650   9  0.79  12  1.15  molprobity  1.000  
 69   69  p        -119.5  150.2  Favored   7   58.040   7  0.99  11  1.22  molprobity  1.000  
 70   70  Cg_endo   -84.5    5.5  Favored   7   58.190   8  0.54  11  0.53  molprobity  1.000  
 71   71  m-85      -82.6  -12.0  Favored   9   50.670  13  0.85  18  0.46  molprobity  1.000  
 72   72  m-85     -114.9  149.3  Favored   9   47.820  12  0.73  16  0.55  molprobity  1.000  
 73   73  p         -80.3  167.7  Favored   7   54.340   7  0.63  11  0.65  molprobity  1.000  
 74   74  Cg_exo    -62.2  -33.5  Favored   7   57.780   8  0.52  11  0.37  molprobity  1.000  
 75   75  ttt85     -70.8  -42.2  Favored  13   49.470  11  0.61  14  1.10  molprobity  1.000  
 76   76  mt-10     -60.1  -47.5  Favored   6   46.970   9  0.87  12  0.65  molprobity  1.000  
 77   77  mtp-105   -65.8  -27.7  Favored  13   53.790  11  0.57  14  0.81  molprobity  1.000  
 78   78  ?         -77.7  -30.2  Favored   5   46.780   5  0.67   7  0.59  molprobity  1.000  
 79   79  ?         -78.6  -28.7  Favored   5   45.590   5  0.62   7  0.35  molprobity  1.000  
 80   80  mt        -77.0  -25.1  Favored  11   44.660   8  0.79  11  0.93  molprobity  1.000  
 81   81  ?         -80.1  -38.5  Favored   5   45.260   5  0.28   7  0.56  molprobity  1.000  
 82   82  t-105     -54.4  -53.2  Favored  10   45.860  16  0.80  23  0.85  molprobity  1.000  
 83   83  p         -62.5  -33.4  Favored   7   49.460   7  0.89  10  0.59  molprobity  1.000  
 84   84  mm-40     -71.1  -40.1  Favored   6   51.610   9  1.02  12  0.41  molprobity  1.000  
 85   85  mm-40     -81.8  -29.6  Favored   8   57.130   9  0.68  12  0.61  molprobity  1.000  
 86   86  mp        -75.0  -21.4  Favored  11   44.260   8  0.50  11  0.80  molprobity  1.000  
 87   87  ?         -72.9  -35.7  Favored   5   41.570   5  0.45   7  0.67  molprobity  1.000  
 88   88  mtt180    -99.4   33.5  Favored  13   47.020  11  0.63  14  1.07  molprobity  1.000  
 89   89  tp        -57.3  -26.9  Favored  11   40.130   8  0.59  11  0.86  molprobity  1.000  
 90   90  OUTLIER   -57.8  -26.4  Favored   5   48.660   6  0.79   8  0.83  molprobity  1.000  
 91   91  mm100    -106.5  -18.8  Favored   8   61.380   9  0.81  12  0.79  molprobity  1.000  
 92   92  ?        -157.6  143.1  Favored   3   64.840   4  0.96   5  0.80  molprobity  1.000  
 93   93  ?         -52.6  151.4  Favored   1   66.510   5  1.26   7  2.26  molprobity  1.000  
 94   94  ?         -76.4  141.3  Favored   2   75.520   5  0.19   8  0.43  molprobity  1.000  
 95   95  Cg_exo    -60.9  138.4  Favored   7   76.760   8  0.36  11  0.57  molprobity  1.000  
 96   96  m80       -57.7  -35.8  Favored   7   98.530  11  0.27  15  0.33  molprobity  1.000  
 97   97  ?         -68.3  -18.9  Favored   3   77.580   4  0.58   5  0.53  molprobity  1.000  
 98   98  ?         -60.0  -49.4  Favored   2   67.180   5  0.10   7  0.53  molprobity  1.000  
 99   99  tp        -59.8  -40.8  Favored  11   63.770   8  0.25  11  0.63  molprobity  1.000  
100  100  m-20      -66.3  -52.3  Favored   4   75.570   8  0.42  11  0.59  molprobity  1.000  
101  101  tp10      -52.2  -43.3  Favored   6   86.510   9  0.69  12  0.29  molprobity  1.000  
102  102  tp        -55.3  -40.8  Favored  11   62.940   8  0.22  11  1.10  molprobity  1.000  
103  103  mtt180    -66.6  -20.9  Favored  13   73.430  11  0.31  14  0.98  molprobity  1.000  
104  104  mt-10     -72.5   -3.4  Favored   6   77.400   9  1.09  12  1.00  molprobity  1.000  
105  105  m-70     -135.6  -13.2  Favored   7   55.890  11  0.27  15  0.58  molprobity  1.000  
106  106  m-85     -132.6  142.5  Favored   9   52.060  12  1.18  16  0.50  molprobity  1.000  
107  107  OUTLIER   -75.6  165.2  Favored   4   68.180   8  1.09  11  0.70  molprobity  1.000  
108  108  m-20      -55.0  -42.9  Favored   4   78.910   8  0.46  11  0.61  molprobity  1.000  
109  109  tppt?     -74.6  -25.8  Favored  13   79.050   9  0.87  11  0.87  molprobity  1.000  
110  110  mt-10     -64.8  -33.9  Favored   6   60.530   9  0.50  12  0.61  molprobity  1.000  
111  111  mt        -67.3  -39.4  Favored  11   58.800   8  0.41  11  0.67  molprobity  1.000  
112  112  ?         -64.8  -36.9  Favored   5   59.340   5  0.32   7  0.45  molprobity  1.000  
113  113  mt-10     -67.5  -47.5  Favored   6   64.060   9  0.57  12  0.80  molprobity  1.000  
114  114  tp        -51.5  -46.2  Favored  11   49.980   8  0.48  11  0.76  molprobity  1.000  
115  115  m         -68.9  -35.2  Favored   7   60.480   7  0.23  10  1.08  molprobity  1.000  
116  116  pt?       -72.2  -31.7  Favored  11   65.060   8  0.61  11  2.42  molprobity  1.000  
117  117  ?         -59.1  -47.1  Favored   5   53.780   5  0.40   7  0.48  molprobity  1.000  
118  118  p         -71.3  -37.2  Favored   9   52.860   7  0.87  10  1.01  molprobity  1.000  
119  119  m         -66.0  -40.5  Favored   5   52.100   6  0.18   8  0.41  molprobity  1.000  
120  120  ?         -61.7  -47.7  Favored   5   51.340   5  0.24   7  0.40  molprobity  1.000  
121  121  tp        -67.6  -34.3  Favored  11   49.750   8  0.56  11  1.08  molprobity  1.000  
122  122  m-80      -62.4  -37.6  Favored   6   44.230   8  0.43  11  0.37  molprobity  1.000  
123  123  ?         -57.5  -56.6  Favored   5   49.240   5  0.40   7  0.38  molprobity  1.000  
124  124  m95       -59.9  -42.3  Favored  10   62.840  16  0.50  23  0.64  molprobity  1.000  
125  125  m120      -52.4  -34.4  Favored   6   51.050   8  0.42  11  0.76  molprobity  1.000  
126  126  mtt85     -76.3  -39.6  Favored  13   48.110  11  0.40  14  1.27  molprobity  1.000  
127  127  m-85      -61.1  -44.2  Favored   9   67.060  12  1.71  16  1.11  molprobity  1.000  
128  128  ?         -62.0  -54.4  Favored   3   62.060   4  0.44   5  0.45  molprobity  1.000  
129  129  t         -63.6  -38.1  Favored   9   58.160   7  0.72  10  0.57  molprobity  1.000  
130  130  ?         -68.9  -37.7  Favored   3   67.560   4  0.19   5  0.27  molprobity  1.000  
131  131  mmm       -96.5   24.1  Favored   9   73.120   8  0.40  10  0.86  molprobity  1.000  
132  132  ?          49.1   35.7  Favored   3   90.710   4  0.38   5  0.38  molprobity  1.000  
133  133  mtp           ?      ?  ?         9   89.490   7  0.35   7  0.71  molprobity  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    1  C      1  0.47  2.35  
 2    3  HD3    1  0.47  2.35  
 3    6  O      2  0.46  2.14  
 4    8  O      3  0.47  2.63  
 5   10  HG     2  0.46  2.14  
 6   12  CD1    3  0.47  2.63  
 7   12  HD12   4  0.41  2.35  
 8   12  N      4  0.41  2.35  
 9   20  N      5  0.54  2.40  
10   22  OE1    6  0.62  2.32  
11   23  HH11   7  0.62  1.64  
12   23  HG3    7  0.62  1.64  
13   23  HG3    8  0.40  2.34  
14   23  N      9  0.41  2.83  
15   23  NH1    8  0.40  2.34  
16   24  CD     9  0.41  2.83  
17   29  O     10  0.78  1.82  
18   29  HG22  11  0.64  1.78  
19   33  HG23  10  0.78  1.82  
20   44  O     12  0.81  2.11  
21   48  ND2   12  0.81  2.11  
22   51  NE    13  0.53  2.39  
23   55  OE2   14  0.61  2.28  
24   57  OE2   13  0.53  2.39  
25   59  NH2   14  0.61  2.28  
26   62  HB1   15  0.47  1.94  
27   67  O     16  0.55  2.39  
28   68  N     17  0.65  2.30  
29   68  OE2   17  0.65  2.30  
30   69  HG21  15  0.47  1.94  
31   73  O     18  0.64  1.97  
32   75  NH2    6  0.62  2.32  
33   77  HG3   18  0.64  1.97  
34   77  NH2   16  0.55  2.39  
35   79  O     19  0.78  1.83  
36   83  HG23  19  0.78  1.83  
37   83  HG21  11  0.64  1.78  
38   84  OE1   20  0.66  2.29  
39   88  NH1   20  0.66  2.29  
40  113  O     21  0.79  1.83  
41  113  HA    22  0.74  2.17  
42  113  HA    23  0.55  1.87  
43  113  OE2    5  0.54  2.40  
44  114  O     24  0.42  2.20  
45  116  HD23  21  0.79  1.83  
46  116  CD2   22  0.74  2.17  
47  116  HD22  23  0.55  1.87  
48  117  O     25  0.54  2.06  
49  118  HG12  24  0.42  2.20  
50  121  HG22  25  0.54  2.06  
#
loop_
_pdbx_vrpt_instance_intra_angle_outliers.ordinal
_pdbx_vrpt_instance_intra_angle_outliers.instance_id
_pdbx_vrpt_instance_intra_angle_outliers.atom_1
_pdbx_vrpt_instance_intra_angle_outliers.atom_2
_pdbx_vrpt_instance_intra_angle_outliers.atom_3
_pdbx_vrpt_instance_intra_angle_outliers.obs
_pdbx_vrpt_instance_intra_angle_outliers.mean
_pdbx_vrpt_instance_intra_angle_outliers.stdev
_pdbx_vrpt_instance_intra_angle_outliers.Z
1   93  N   CA  CB   109.957  103.300  1.200   5.55  
2  116  CB  CG  CD2  100.837  111.000  1.700  -5.98  
#
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   5  0.711  0.535   7.198  
  2    2   6  0.818  0.244   1.805  
  3    3   7  0.857  0.420   4.930  
  4    4   8  0.776  0.253   1.600  
  5    5   5  0.882  0.196   1.165  
  6    6   5  0.744  0.193   1.172  
  7    7   5  0.881  0.494   6.468  
  8    8   5  0.801  0.184   0.952  
  9    9   8  0.881  0.165   0.545  
 10   10   8  0.930  0.200   0.996  
 11   11   4  0.870  0.140   0.179  
 12   12   8  0.732  0.309   3.004  
 13   13   9  0.837  0.152  -0.239  
 14   14   5  0.896  0.268   1.215  
 15   15   5  0.814  0.181   0.899  
 16   16   5  0.729  0.202   1.033  
 17   17   5  0.821  0.269   2.464  
 18   18   5  0.730  0.298   1.615  
 19   19   5  0.894  0.238   1.913  
 20   20   4  0.855  0.149   0.325  
 21   21   5  0.681  0.198   0.959  
 22   22   9  0.956  0.122  -0.636  
 23   23  11  0.837  0.180   0.250  
 24   24   7  0.910  0.147   0.279  
 25   25   8  0.973  0.112  -0.624  
 26   26   8  0.958  0.174   0.535  
 27   27   9  0.961  0.118  -0.689  
 28   28   5  0.913  0.257   2.046  
 29   29   7  0.984  0.160   0.380  
 30   30  12  0.937  0.160   0.527  
 31   31   8  0.979  0.192   0.849  
 32   32  11  0.957  0.145  -0.253  
 33   33   7  0.937  0.161   0.475  
 34   34   6  0.979  0.131  -0.063  
 35   35   9  0.961  0.134  -0.335  
 36   36   8  0.946  0.143  -0.043  
 37   37   8  0.973  0.101  -0.644  
 38   38   4  0.976  0.077  -0.838  
 39   39   6  0.946  0.097  -0.457  
 40   40   5  0.962  0.152   0.383  
 41   41  12  0.818  0.283   2.930  
 42   42   6  0.951  0.097  -0.457  
 43   43   7  0.966  0.131  -0.165  
 44   44   8  0.946  0.124  -0.289  
 45   45   8  0.944  0.153   0.323  
 46   46  10  0.933  0.121  -0.268  
 47   47   5  0.957  0.113  -0.311  
 48   48   8  0.919  0.179   0.560  
 49   49   8  0.893  0.168   0.331  
 50   50   5  0.899  0.140   0.169  
 51   51  11  0.890  0.152  -0.152  
 52   52   5  0.942  0.179   0.027  
 53   53   5  0.879  0.201   1.254  
 54   54   4  0.912  0.174   0.729  
 55   55   9  0.944  0.110  -0.795  
 56   56   7  0.915  0.133  -0.018  
 57   57   9  0.952  0.121  -0.649  
 58   58   9  0.913  0.184   0.387  
 59   59  11  0.929  0.160  -0.037  
 60   60   8  0.944  0.211   1.199  
 61   61   9  0.934  0.181   0.344  
 62   62   5  0.969  0.138   0.133  
 63   63   8  0.955  0.194   0.886  
 64   64   6  0.959  0.143   0.521  
 65   65   7  0.953  0.101  -0.729  
 66   66  14  0.916  0.101  -0.575  
 67   67   9  0.877  0.129  -0.408  
 68   68   9  0.896  0.257   1.149  
 69   69   7  0.921  0.134   0.000  
 70   70   7  0.876  0.170   0.671  
 71   71  12  0.941  0.143   0.195  
 72   72  11  0.909  0.104  -0.609  
 73   73   7  0.908  0.140   0.105  
 74   74   7  0.934  0.151   0.348  
 75   75  11  0.927  0.150  -0.181  
 76   76   9  0.963  0.103  -0.888  
 77   77  11  0.951  0.128  -0.497  
 78   78   5  0.961  0.176   0.810  
 79   79   5  0.980  0.148   0.311  
 80   80   8  0.978  0.111  -0.643  
 81   81   5  0.957  0.082  -0.863  
 82   82  14  0.948  0.208   1.622  
 83   83   7  0.884  0.190   0.984  
 84   84   9  0.944  0.135  -0.464  
 85   85   9  0.887  0.182   0.358  
 86   86   8  0.941  0.148   0.039  
 87   87   5  0.952  0.141   0.187  
 88   88  11  0.927  0.162  -0.009  
 89   89   8  0.959  0.145  -0.017  
 90   90   6  0.943  0.129  -0.096  
 91   91   9  0.871  0.194   0.532  
 92   92   4  0.939  0.135   0.099  
 93   93   5  0.893  0.153   0.382  
 94   94   5  0.726  0.182   0.665  
 95   95   7  0.945  0.189   0.995  
 96   96  10  0.755  0.307   2.787  
 97   97   4  0.881  0.128  -0.015  
 98   98   5  0.797  0.159   0.241  
 99   99   8  0.905  0.147   0.020  
100  100   8  0.798  0.204   0.869  
101  101   9  0.841  0.264   1.242  
102  102   8  0.860  0.202   1.033  
103  103  11  0.804  0.237   1.069  
104  104   9  0.904  0.243   0.964  
105  105  10  0.949  0.126  -0.186  
106  106  11  0.950  0.137   0.013  
107  107   8  0.910  0.133  -0.191  
108  108   8  0.900  0.138  -0.116  
109  109   9  0.769  0.291   1.522  
110  110   9  0.960  0.098  -0.954  
111  111   8  0.962  0.145  -0.006  
112  112   5  0.981  0.168   0.667  
113  113   9  0.902  0.133  -0.491  
114  114   8  0.973  0.202   1.033  
115  115   7  0.945  0.248   2.004  
116  116   8  0.915  0.238   1.696  
117  117   5  0.973  0.180   0.881  
118  118   7  0.949  0.269   2.429  
119  119   6  0.978  0.244   1.805  
120  120   5  0.981  0.204   1.308  
121  121   8  0.964  0.147   0.032  
122  122   8  0.935  0.214   1.100  
123  123   5  0.933  0.251   2.144  
124  124  14  0.871  0.152   0.472  
125  125   8  0.959  0.180   0.576  
126  126  11  0.970  0.184   0.307  
127  127  11  0.870  0.278   2.674  
128  128   4  0.985  0.119  -0.160  
129  129   7  0.950  0.126  -0.259  
130  130   4  0.875  0.117  -0.192  
131  131   8  0.852  0.150   0.268  
132  132   4  0.791  0.241   1.811  
133  133   8  0.588  0.344   3.854  
#
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  eds          2.36                                                                  Y  
3  dcc          '"2.27  (2023-04-10)"'                                                Y  
4  xtriage      1.13                                                                  Y  
5  percentiles  "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
