data_8I8Y

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  8I8Y
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    8I8Y
_pdbx_vrpt_summary.PDB_deposition_date         2023-02-06
_pdbx_vrpt_summary.PDB_revision_number         3
_pdbx_vrpt_summary.PDB_revision_date           2023-11-15
_pdbx_vrpt_summary.report_creation_date        2023-11-07:08:17
_pdbx_vrpt_summary.attempted_validation_steps  molprobity,validation-pack,xtriage,eds,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  "Engineered protein"  
2  polymer  "Engineered protein"  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  2  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all  x-ray  
2  2.9  x-ray  
#
loop_
_pdbx_vrpt_percentile_type.id
_pdbx_vrpt_percentile_type.type
1  all_atom_clashscore           
2  Ramachandran_outlier_percent  
3  rotamer_outliers_percent      
4  RSRZ_outliers_percent         
5  R_value_R_free                
#
loop_
_pdbx_vrpt_percentile_conditions.id
_pdbx_vrpt_percentile_conditions.percentile_list_id
_pdbx_vrpt_percentile_conditions.type_id
_pdbx_vrpt_percentile_conditions.rank
_pdbx_vrpt_percentile_conditions.number_entries_total
_pdbx_vrpt_percentile_conditions.res_high
_pdbx_vrpt_percentile_conditions.res_low
 1  1  1   78.87  141614     ?     ?  
 2  2  1   90.84    2172  2.90  2.90  
 3  1  2  100.00  138981     ?     ?  
 4  2  2  100.00    2115  2.90  2.90  
 5  1  3   78.50  138945     ?     ?  
 6  2  3   93.29    2117  2.90  2.90  
 7  1  4   51.21  127900     ?     ?  
 8  2  4   47.11    1906  2.90  2.90  
 9  1  5    1.44  130704     ?     ?  
10  2  5    2.93    1957  2.90  2.90  
#
loop_
_pdbx_vrpt_percentile_entity_view.ordinal
_pdbx_vrpt_percentile_entity_view.conditions_id
_pdbx_vrpt_percentile_entity_view.type_id
_pdbx_vrpt_percentile_entity_view.label_asym_id
_pdbx_vrpt_percentile_entity_view.PDB_model_num
_pdbx_vrpt_percentile_entity_view.entity_id
_pdbx_vrpt_percentile_entity_view.auth_asym_id
_pdbx_vrpt_percentile_entity_view.rank
 1  3  2  A  1  1  B  100.00  
 2  4  2  A  1  1  B  100.00  
 3  5  3  A  1  1  B  100.00  
 4  6  3  A  1  1  B  100.00  
 5  7  4  A  1  1  B   51.21  
 6  8  4  A  1  1  B   47.11  
 7  3  2  B  1  2  A  100.00  
 8  4  2  B  1  2  A  100.00  
 9  5  3  B  1  2  A   58.54  
10  6  3  B  1  2  A   84.65  
11  7  4  B  1  2  A   51.21  
12  8  4  B  1  2  A   47.11  
#
loop_
_pdbx_vrpt_summary_entity_geometry.ordinal
_pdbx_vrpt_summary_entity_geometry.PDB_model_num
_pdbx_vrpt_summary_entity_geometry.entity_id
_pdbx_vrpt_summary_entity_geometry.label_asym_id
_pdbx_vrpt_summary_entity_geometry.auth_asym_id
_pdbx_vrpt_summary_entity_geometry.angles_RMSZ
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ
1  1  1  A  B  0.55  0.24  543  732  
2  1  2  B  A  0.57  0.28  547  738  
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  0.00
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       0.89
_pdbx_vrpt_summary_geometry.clashscore                     2.79
_pdbx_vrpt_summary_geometry.num_H_reduce                   1067
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 1090
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.26
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                1470
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.56
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            56.886
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         98.442
_pdbx_vrpt_summary_diffraction.I_over_sigma              2.81(2.91A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        5421
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.295
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.477
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.310
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.919
_pdbx_vrpt_summary_diffraction.DCC_R                     0.28
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.33
_pdbx_vrpt_summary_diffraction.EDS_R                     0.28
_pdbx_vrpt_summary_diffraction.EDS_res_high              2.90
_pdbx_vrpt_summary_diffraction.EDS_res_low               47.72
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[103.161,103.161,90.697,0.000,0.000,0.000]"
_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 8.12% 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         2
_pdbx_vrpt_summary_diffraction.centric_outliers          1
_pdbx_vrpt_summary_diffraction.data_completeness         93.74
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      258
_pdbx_vrpt_summary_diffraction.percent_free_reflections  4.76
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     2.92
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       2.90
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        47.72
_pdbx_vrpt_summary_diffraction.PDB_R                     0.28
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.34
#
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
  1  1  1  A   1  VAL  B   9  .  ?        ?  
  2  1  1  A   2  ILE  B  10  .  ?        ?  
  3  1  1  A   3  GLU  B  11  .  ?        ?  
  4  1  1  A   4  LYS  B  12  .  ?        1  
  5  1  1  A   5  ARG  B  13  .  ?        ?  
  6  1  1  A   6  ILE  B  14  .  ?        1  
  7  1  1  A   7  VAL  B  15  .  ?        ?  
  8  1  1  A   8  ILE  B  16  .  ?        ?  
  9  1  1  A   9  ASP  B  17  .  ?        ?  
 10  1  1  A  10  GLY  B  18  .  ?        ?  
 11  1  1  A  11  ASP  B  19  .  ?        ?  
 12  1  1  A  12  GLY  B  20  .  ?        ?  
 13  1  1  A  13  ASP  B  21  .  ?        ?  
 14  1  1  A  14  ILE  B  22  .  ?        ?  
 15  1  1  A  15  ASP  B  23  .  ?        ?  
 16  1  1  A  16  HIS  B  24  .  ?        ?  
 17  1  1  A  17  ASP  B  25  .  ?        ?  
 18  1  1  A  18  GLN  B  26  .  ?        ?  
 19  1  1  A  19  ALA  B  27  .  ?        ?  
 20  1  1  A  20  LEU  B  28  .  ?        1  
 21  1  1  A  21  ALA  B  29  .  ?        ?  
 22  1  1  A  22  GLN  B  30  .  ?        ?  
 23  1  1  A  23  ALA  B  31  .  ?        ?  
 24  1  1  A  24  ILE  B  32  .  ?        ?  
 25  1  1  A  25  ARG  B  33  .  ?        ?  
 26  1  1  A  26  GLU  B  34  .  ?        ?  
 27  1  1  A  27  ALA  B  35  .  ?        ?  
 28  1  1  A  28  ARG  B  36  .  ?        ?  
 29  1  1  A  29  GLU  B  37  .  ?        ?  
 30  1  1  A  30  GLN  B  38  .  ?        ?  
 31  1  1  A  31  HIS  B  39  .  ?        ?  
 32  1  1  A  32  PRO  B  40  .  ?        ?  
 33  1  1  A  33  ASP  B  41  .  ?        2  
 34  1  1  A  34  MSE  B  42  .  ?        ?  
 35  1  1  A  35  SER  B  43  .  ?        ?  
 36  1  1  A  36  VAL  B  44  .  ?        ?  
 37  1  1  A  37  THR  B  45  .  ?        ?  
 38  1  1  A  38  ARG  B  46  .  ?        ?  
 39  1  1  A  39  VAL  B  47  .  ?        ?  
 40  1  1  A  40  VAL  B  48  .  ?        1  
 41  1  1  A  41  VAL  B  49  .  ?        ?  
 42  1  1  A  42  ASN  B  50  .  ?        ?  
 43  1  1  A  43  LYS  B  51  .  ?        ?  
 44  1  1  A  44  GLU  B  52  .  ?        ?  
 45  1  1  A  45  THR  B  53  .  ?        ?  
 46  1  1  A  46  GLU  B  54  .  ?        ?  
 47  1  1  A  47  LEU  B  55  .  ?        ?  
 48  1  1  A  48  ALA  B  56  .  ?        ?  
 49  1  1  A  49  GLU  B  57  .  ?        ?  
 50  1  1  A  50  GLU  B  58  .  ?        ?  
 51  1  1  A  51  GLY  B  59  .  ?        ?  
 52  1  1  A  52  GLU  B  60  .  ?        ?  
 53  1  1  A  53  ASP  B  61  .  ?        ?  
 54  1  1  A  54  ARG  B  62  .  ?        ?  
 55  1  1  A  55  THR  B  63  .  ?        ?  
 56  1  1  A  56  ARG  B  64  .  ?        ?  
 57  1  1  A  57  GLN  B  65  .  ?        ?  
 58  1  1  A  58  ILE  B  66  .  ?        ?  
 59  1  1  A  59  ILE  B  67  .  ?        ?  
 60  1  1  A  60  ASN  B  68  .  ?        1  
 61  1  1  A  61  ILE  B  69  .  ?        ?  
 62  1  1  A  62  THR  B  70  .  ?        ?  
 63  1  1  A  63  MSE  B  71  .  ?        ?  
 64  1  1  A  64  THR  B  72  .  ?        ?  
 65  1  1  A  65  LYS  B  73  .  ?        ?  
 66  1  1  A  66  LYS  B  74  .  ?        ?  
 67  1  1  A  67  LEU  B  75  .  ?        ?  
 68  1  1  A  68  ASP  B  76  .  ?        ?  
 69  1  1  A  69  VAL  B  77  .  ?        ?  
 70  1  1  A  70  TRP  B  78  .  ?        ?  
 71  1  2  B   1  THR  A   8  .  ?        ?  
 72  1  2  B   2  VAL  A   9  .  ?        ?  
 73  1  2  B   3  ILE  A  10  .  ?        ?  
 74  1  2  B   4  GLU  A  11  .  ?        ?  
 75  1  2  B   5  LYS  A  12  .  ?        1  
 76  1  2  B   6  ARG  A  13  .  ?        ?  
 77  1  2  B   7  ILE  A  14  .  ?        ?  
 78  1  2  B   8  VAL  A  15  .  ?        ?  
 79  1  2  B   9  ILE  A  16  .  ?        ?  
 80  1  2  B  10  ASP  A  17  .  ?        ?  
 81  1  2  B  11  GLY  A  18  .  ?        ?  
 82  1  2  B  12  ASP  A  19  .  ?        ?  
 83  1  2  B  13  GLY  A  20  .  ?        ?  
 84  1  2  B  14  ASP  A  21  .  ?        ?  
 85  1  2  B  15  ILE  A  22  .  ?        ?  
 86  1  2  B  16  ASP  A  23  .  ?        ?  
 87  1  2  B  17  HIS  A  24  .  ?        ?  
 88  1  2  B  18  ASP  A  25  .  ?        ?  
 89  1  2  B  19  GLN  A  26  .  ?        ?  
 90  1  2  B  20  ALA  A  27  .  ?        ?  
 91  1  2  B  21  LEU  A  28  .  ?        ?  
 92  1  2  B  22  ALA  A  29  .  ?        ?  
 93  1  2  B  23  GLN  A  30  .  ?        ?  
 94  1  2  B  24  ALA  A  31  .  ?        ?  
 95  1  2  B  25  ILE  A  32  .  ?        ?  
 96  1  2  B  26  ARG  A  33  .  ?        ?  
 97  1  2  B  27  GLU  A  34  .  ?        ?  
 98  1  2  B  28  ALA  A  35  .  ?        ?  
 99  1  2  B  29  ARG  A  36  .  ?        ?  
100  1  2  B  30  GLU  A  37  .  ?        ?  
101  1  2  B  31  GLN  A  38  .  ?        ?  
102  1  2  B  32  HIS  A  39  .  ?        ?  
103  1  2  B  33  PRO  A  40  .  ?        ?  
104  1  2  B  34  ASP  A  41  .  ?        ?  
105  1  2  B  35  MSE  A  42  .  ?        ?  
106  1  2  B  36  SER  A  43  .  ?        ?  
107  1  2  B  37  VAL  A  44  .  ?        ?  
108  1  2  B  38  THR  A  45  .  ?        1  
109  1  2  B  39  ARG  A  46  .  ?        ?  
110  1  2  B  40  VAL  A  47  .  ?        ?  
111  1  2  B  41  VAL  A  48  .  ?        ?  
112  1  2  B  42  VAL  A  49  .  ?        ?  
113  1  2  B  43  ASN  A  50  .  ?        ?  
114  1  2  B  44  LYS  A  51  .  ?        ?  
115  1  2  B  45  GLU  A  52  .  ?        ?  
116  1  2  B  46  THR  A  53  .  ?        ?  
117  1  2  B  47  GLU  A  54  .  ?        ?  
118  1  2  B  48  LEU  A  55  .  ?        1  
119  1  2  B  49  ALA  A  56  .  ?        ?  
120  1  2  B  50  GLU  A  57  .  ?        ?  
121  1  2  B  51  GLU  A  58  .  ?        ?  
122  1  2  B  52  GLY  A  59  .  ?        ?  
123  1  2  B  53  GLU  A  60  .  ?        ?  
124  1  2  B  54  ASP  A  61  .  ?        ?  
125  1  2  B  55  ARG  A  62  .  ?        ?  
126  1  2  B  56  THR  A  63  .  ?        ?  
127  1  2  B  57  ARG  A  64  .  ?        ?  
128  1  2  B  58  GLN  A  65  .  ?        ?  
129  1  2  B  59  ILE  A  66  .  ?        ?  
130  1  2  B  60  ILE  A  67  .  ?        ?  
131  1  2  B  61  ASN  A  68  .  ?        ?  
132  1  2  B  62  ILE  A  69  .  ?        1  
133  1  2  B  63  THR  A  70  .  ?        ?  
134  1  2  B  64  MSE  A  71  .  ?        ?  
135  1  2  B  65  THR  A  72  .  ?        1  
136  1  2  B  66  LYS  A  73  .  ?        ?  
137  1  2  B  67  LYS  A  74  .  ?        ?  
138  1  2  B  68  LEU  A  75  .  ?        ?  
139  1  2  B  69  ASP  A  76  .  ?        ?  
140  1  2  B  70  VAL  A  77  .  ?        ?  
141  1  2  B  71  TRP  A  78  .  ?        ?  
#
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  m             ?       ?  ?         8   66.780   7  0.20  10  0.50  molprobity  1.000  
  2    2  mm       -118.1   132.3  Favored  11   60.350   8  0.23  11  0.49  molprobity  1.000  
  3    3  mm-40    -116.1   110.8  Favored   6   73.880   9  0.25  12  0.46  molprobity  1.000  
  4    4  tttp     -101.0   115.0  Favored  13   73.980   9  0.29  11  0.57  molprobity  1.000  
  5    5  ttt-85   -109.1   127.7  Favored  13   85.530  11  0.24  14  0.96  molprobity  1.000  
  6    6  mt       -125.9   124.5  Favored  11   71.730   8  0.23  11  0.47  molprobity  1.000  
  7    7  t        -108.6   128.1  Favored   9   84.360   7  0.24  10  0.42  molprobity  1.000  
  8    8  mm       -116.8   113.2  Favored  11   95.100   8  0.28  11  0.51  molprobity  1.000  
  9    9  ?         -73.7   122.3  Favored   2  122.510   5  0.25   7  0.50  molprobity  1.000  
 10   10  ?         120.4   143.7  Favored   3  132.260   4  0.26   5  0.27  molprobity  1.000  
 11   11  p-10      -88.7    18.9  Favored   4  142.070   8  0.23  11  0.57  molprobity  1.000  
 12   12  ?         -58.2   135.0  Favored   3  128.070   4  0.18   5  0.15  molprobity  1.000  
 13   13  m-20      -61.5   144.4  Favored   4  130.920   8  0.16  11  0.41  molprobity  1.000  
 14   14  mt       -111.3   132.1  Favored  11  105.470   8  0.21  11  0.38  molprobity  1.000  
 15   15  t0        -71.4   105.3  Favored   4  107.020   8  0.22  11  0.47  molprobity  1.000  
 16   16  m-70      -61.8   -47.5  Favored   7  100.800  11  0.19  15  0.30  molprobity  1.000  
 17   17  m-20      -61.8   -42.0  Favored   4  108.010   8  0.22  11  0.29  molprobity  1.000  
 18   18  mm-40     -69.4   -33.1  Favored   8  106.240   9  0.24  12  0.30  molprobity  1.000  
 19   19  ?         -60.5   -46.9  Favored   5   88.350   5  0.27   7  0.30  molprobity  1.000  
 20   20  tp        -63.5   -45.6  Favored  11   78.910   8  0.30  11  0.35  molprobity  1.000  
 21   21  ?         -57.4   -47.8  Favored   5   83.330   5  0.28   7  0.29  molprobity  1.000  
 22   22  tt0       -64.8   -39.4  Favored   8   83.650   9  0.22  12  0.27  molprobity  1.000  
 23   23  ?         -55.0   -54.6  Favored   5   80.010   5  0.28   7  0.31  molprobity  1.000  
 24   24  mt        -62.0   -39.6  Favored  11   85.750   8  0.22  11  0.35  molprobity  1.000  
 25   25  ttp-105   -65.5   -52.6  Favored  13   93.750  11  0.21  14  0.94  molprobity  1.000  
 26   26  mt-10     -62.2   -30.5  Favored   6   93.480   9  0.25  12  0.32  molprobity  1.000  
 27   27  ?         -66.1   -53.0  Favored   5   91.250   5  0.25   7  0.23  molprobity  1.000  
 28   28  ttp-105   -53.2   -42.6  Favored  13  119.720  11  0.23  14  0.90  molprobity  1.000  
 29   29  mt-10     -67.4   -60.3  Favored   6  113.220   9  0.21  12  0.32  molprobity  1.000  
 30   30  mt-30     -88.9   -26.6  Favored   8  108.450   9  0.22  12  0.47  molprobity  1.000  
 31   31  m170     -128.0    73.4  Favored   7  119.700  11  0.20  16  0.34  molprobity  1.000  
 32   32  Cg_endo   -67.6   -22.6  Favored   7  114.630   8  0.23  11  0.45  molprobity  1.000  
 33   33  p-10      -86.2    -0.2  Favored   4  113.010   7  0.14   8  0.42  molprobity  1.000  
 34   34  ?        -123.4   161.9  Favored   2   82.690   5  0.64   7  0.65  molprobity  1.000  
 35   35  p        -130.4   134.3  Favored   5   81.500   6  0.27   8  0.39  molprobity  1.000  
 36   36  t         -60.4   126.5  Favored   9   60.790   7  0.33  10  0.37  molprobity  1.000  
 37   37  p        -115.8    -8.3  Favored   7   65.870   7  0.25  10  0.83  molprobity  1.000  
 38   38  ttt180   -160.7   140.0  Favored  13   83.610  11  0.17  14  0.93  molprobity  1.000  
 39   39  t        -135.5   120.7  Favored   9   66.010   7  0.23  10  0.51  molprobity  1.000  
 40   40  m        -126.6   138.6  Favored   9   73.950   7  0.29  10  0.53  molprobity  1.000  
 41   41  t        -110.5   128.1  Favored   9   82.210   7  0.23  10  0.51  molprobity  1.000  
 42   42  m-80     -117.6   123.2  Favored   6   91.030   8  0.21  11  0.37  molprobity  1.000  
 43   43  tttp      -91.3    93.6  Favored  13   87.700   9  0.26  11  0.74  molprobity  1.000  
 44   44  tt0       -93.0   124.3  Favored   6   89.790   9  0.20  12  0.42  molprobity  1.000  
 45   45  m        -120.6   109.9  Favored   7   79.110   7  0.20  10  0.50  molprobity  1.000  
 46   46  tt0       -83.6   114.7  Favored   6   96.740   9  0.23  12  0.33  molprobity  1.000  
 47   47  mp        -78.2   130.6  Favored  11   83.510   8  0.23  11  0.94  molprobity  1.000  
 48   48  ?        -121.1   128.2  Favored   5  104.780   5  0.30   7  0.55  molprobity  1.000  
 49   49  ?         -74.4   -23.4  Favored   2  121.280   5  0.26   7  0.33  molprobity  1.000  
 50   50  ?        -102.2     1.6  Favored   2  133.890   5  0.27   7  0.79  molprobity  1.000  
 51   51  ?        -174.2  -137.6  Favored   3  119.080   4  0.22   5  0.78  molprobity  1.000  
 52   52  ?         -89.3   136.7  Favored   2  120.490   5  0.19   7  0.39  molprobity  1.000  
 53   53  m-20      -77.3   109.3  Favored   4  105.310   8  0.22  11  0.34  molprobity  1.000  
 54   54  mtp85     -71.6   139.1  Favored  13  118.720  11  0.20  14  0.89  molprobity  1.000  
 55   55  m        -125.5   125.7  Favored   7   93.500   7  0.18  10  0.64  molprobity  1.000  
 56   56  mtm-85   -119.9   166.0  Favored  13  100.200  11  0.22  14  1.00  molprobity  1.000  
 57   57  mm-40    -119.8   120.5  Favored   8   98.570   9  0.25  12  0.41  molprobity  1.000  
 58   58  mm       -114.2   118.5  Favored  11   86.900   8  0.24  11  0.44  molprobity  1.000  
 59   59  mt       -102.8   113.7  Favored  11   74.290   8  0.23  11  0.46  molprobity  1.000  
 60   60  m-80     -108.7   120.6  Favored   6   74.960   8  0.21  11  0.49  molprobity  1.000  
 61   61  mt       -114.8   112.9  Favored  11   64.180   8  0.31  11  0.54  molprobity  1.000  
 62   62  m         -97.1   124.7  Favored   7   61.600   6  0.28   7  0.59  molprobity  1.000  
 63   63  ?        -126.5   131.3  Favored   2   60.720   5  0.53   7  0.96  molprobity  1.000  
 64   64  p        -115.4   172.5  Favored   7   84.210   7  0.17  10  0.63  molprobity  1.000  
 65   65  pttt      -62.7   144.8  Favored  13  100.130   9  0.19  11  0.38  molprobity  1.000  
 66   66  tttm      -64.8   135.4  Favored  13   91.100   9  0.28  11  0.33  molprobity  1.000  
 67   67  mt       -103.4    99.5  Favored  11   97.860   8  0.24  11  0.35  molprobity  1.000  
 68   68  p30       -57.9   151.7  Favored   4   98.300   8  0.12  11  0.38  molprobity  1.000  
 69   69  t         -66.7   -32.8  Favored   9   87.890   7  0.25  10  0.49  molprobity  1.000  
 70   70  p90           ?       ?  ?        10   72.030  15  0.15  20  0.13  molprobity  1.000  
 71   71  m             ?       ?  ?         6   70.970   7  0.49  10  0.59  molprobity  1.000  
 72   72  m        -116.1   139.2  Favored   9   68.960   7  0.61  10  0.72  molprobity  1.000  
 73   73  mm       -112.9   130.2  Favored  11   64.960   8  0.22  11  0.50  molprobity  1.000  
 74   74  ?        -117.0   109.2  Favored   2   55.040   5  0.27   7  0.56  molprobity  1.000  
 75   75  ttpt     -101.8   115.4  Favored  13   72.630   9  0.24  11  0.43  molprobity  1.000  
 76   76  ttt-85   -108.9   128.0  Favored  13   85.550  11  0.21  14  0.96  molprobity  1.000  
 77   77  mt       -126.8   125.8  Favored  11   63.410   8  0.27  11  0.47  molprobity  1.000  
 78   78  t        -108.5   128.4  Favored   9   83.620   7  0.22  10  0.51  molprobity  1.000  
 79   79  mm       -115.9   113.6  Favored  11   96.320   8  0.24  11  0.67  molprobity  1.000  
 80   80  m-20      -71.9   -27.9  Favored   4  131.490   8  0.21  11  0.52  molprobity  1.000  
 81   81  ?         -79.5   140.7  Favored   3  139.030   4  0.27   5  0.61  molprobity  1.000  
 82   82  p-10      -89.6    19.0  Favored   4  139.700   8  0.20  11  0.44  molprobity  1.000  
 83   83  ?         -57.0   138.9  Favored   3  135.320   4  0.29   5  0.53  molprobity  1.000  
 84   84  ?         -56.9   145.1  Favored   2  114.500   5  0.21   7  0.48  molprobity  1.000  
 85   85  mm       -107.1   130.5  Favored  11   97.920   8  0.21  11  0.37  molprobity  1.000  
 86   86  t0        -71.8   104.2  Favored   4   94.320   8  0.23  11  0.47  molprobity  1.000  
 87   87  OUTLIER   -61.9   -46.9  Favored   7   87.620  11  0.18  15  0.26  molprobity  1.000  
 88   88  m-20      -61.3   -41.9  Favored   4  102.730   8  0.21  11  0.30  molprobity  1.000  
 89   89  tp60      -70.6   -33.7  Favored   8   94.220   9  0.23  12  0.33  molprobity  1.000  
 90   90  ?         -61.0   -47.3  Favored   5   85.030   5  0.27   7  0.33  molprobity  1.000  
 91   91  tp        -63.2   -43.9  Favored  11   75.890   8  0.25  11  0.30  molprobity  1.000  
 92   92  ?         -57.6   -47.8  Favored   5   84.960   5  0.25   7  0.29  molprobity  1.000  
 93   93  tt0       -64.9   -39.5  Favored   8   74.790   9  0.25  12  0.25  molprobity  1.000  
 94   94  ?         -54.8   -54.2  Favored   5   80.950   5  0.31   7  0.25  molprobity  1.000  
 95   95  mt        -62.0   -40.2  Favored  11   77.390   8  0.23  11  0.30  molprobity  1.000  
 96   96  ttp-105   -65.1   -52.9  Favored  13   90.870  11  0.21  14  0.97  molprobity  1.000  
 97   97  mt-10     -62.4   -31.3  Favored   6   89.840   9  0.22  12  0.32  molprobity  1.000  
 98   98  ?         -65.9   -52.8  Favored   5   84.740   5  0.23   7  0.24  molprobity  1.000  
 99   99  ttp-105   -53.2   -41.4  Favored  13  107.060  11  0.24  14  0.96  molprobity  1.000  
100  100  mt-10     -66.5   -60.7  Favored   6  111.100   9  0.21  12  0.31  molprobity  1.000  
101  101  mt-30     -89.8   -26.4  Favored   8  110.650   9  0.22  12  0.47  molprobity  1.000  
102  102  m170     -128.5    74.7  Favored   7  108.290  11  0.19  16  0.27  molprobity  1.000  
103  103  Cg_endo   -66.7   -22.1  Favored   7  106.110   8  0.24  11  0.32  molprobity  1.000  
104  104  p-10      -86.5     0.0  Favored   4  116.390   7  0.16   8  0.37  molprobity  1.000  
105  105  ?        -120.5   158.0  Favored   2   89.200   5  0.63   7  0.66  molprobity  1.000  
106  106  p        -131.6   133.0  Favored   5   86.580   6  0.31   8  0.30  molprobity  1.000  
107  107  t         -62.2   125.9  Favored   9   60.530   7  0.26  10  0.33  molprobity  1.000  
108  108  p        -115.9    -6.5  Favored   7   69.340   7  0.25  10  0.86  molprobity  1.000  
109  109  ttt180   -159.7   139.1  Favored  13   73.910  11  0.23  14  0.96  molprobity  1.000  
110  110  t        -134.7   122.3  Favored   9   65.910   7  0.31  10  0.66  molprobity  1.000  
111  111  t        -125.1   135.9  Favored   9   68.180   7  0.46  10  0.46  molprobity  1.000  
112  112  t        -109.1   126.6  Favored   9   78.170   7  0.27  10  0.52  molprobity  1.000  
113  113  m-80     -118.2   124.2  Favored   6   84.850   8  0.24  11  0.41  molprobity  1.000  
114  114  tttp      -91.6    93.1  Favored  13   98.410   9  0.28  11  0.73  molprobity  1.000  
115  115  tt0       -93.1   124.6  Favored   6   90.880   9  0.24  12  0.32  molprobity  1.000  
116  116  m        -119.7   109.6  Favored   7   86.060   7  0.20  10  0.59  molprobity  1.000  
117  117  tt0       -81.7   118.0  Favored   6  100.040   9  0.26  12  0.32  molprobity  1.000  
118  118  mt        -75.2   130.0  Favored  11   92.070   8  0.21  11  0.35  molprobity  1.000  
119  119  ?        -120.0   127.8  Favored   5  130.640   5  0.35   7  0.45  molprobity  1.000  
120  120  ?         -74.6   -23.9  Favored   2  134.590   5  0.21   7  0.42  molprobity  1.000  
121  121  pm0      -104.0    -1.3  Favored   6  148.200   9  0.29  12  0.87  molprobity  1.000  
122  122  ?        -177.4  -136.8  Favored   3  138.880   4  0.21   5  0.59  molprobity  1.000  
123  123  ?         -87.5   135.1  Favored   2  132.770   5  0.24   7  0.39  molprobity  1.000  
124  124  m-20      -77.7   113.0  Favored   4  124.180   8  0.22  11  0.32  molprobity  1.000  
125  125  ptp180    -68.4   137.7  Favored  13  124.250  11  0.23  14  0.95  molprobity  1.000  
126  126  m        -123.5   128.0  Favored   7  100.100   7  0.22  10  0.52  molprobity  1.000  
127  127  mtm-85   -118.0   164.4  Favored  13   99.730  11  0.23  14  0.92  molprobity  1.000  
128  128  mm-40    -119.8   118.9  Favored   8  100.070   9  0.28  12  0.46  molprobity  1.000  
129  129  mt       -114.7   119.9  Favored  11   76.460   8  0.27  11  0.40  molprobity  1.000  
130  130  mt       -100.5   114.5  Favored  11   67.710   8  0.28  11  0.56  molprobity  1.000  
131  131  ?        -109.3   119.4  Favored   2   59.260   5  0.21   7  0.64  molprobity  1.000  
132  132  mt       -113.7   112.4  Favored  11   63.770   8  0.24  11  0.44  molprobity  1.000  
133  133  m         -98.4   121.0  Favored   7   67.820   6  0.24   7  0.78  molprobity  1.000  
134  134  ?        -128.6   129.4  Favored   2   64.170   5  0.76   7  0.71  molprobity  1.000  
135  135  t        -116.8   176.6  Favored   7   93.960   7  0.18  10  0.58  molprobity  1.000  
136  136  pttt      -57.4   145.7  Favored  13  114.390   9  0.20  11  0.36  molprobity  1.000  
137  137  tttm      -63.4   132.6  Favored  13   95.940   9  0.25  11  0.39  molprobity  1.000  
138  138  mt       -106.8    94.7  Favored  11  106.370   8  0.20  11  0.76  molprobity  1.000  
139  139  m-20     -160.4   112.3  Allowed   4   97.080   8  0.21  11  0.37  molprobity  1.000  
140  140  t         -74.8   148.7  Favored   9   85.840   7  0.23  10  0.56  molprobity  1.000  
141  141  p90           ?       ?  ?        10   74.290  15  0.54  20  0.78  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    4  HE3   1  0.57  1.86  
 2    6  HD11  1  0.57  1.86  
 3   20  HB2   2  0.45  1.99  
 4   33  OD1   3  0.41  2.47  
 5   33  N     3  0.41  2.47  
 6   40  HG22  4  0.50  1.93  
 7   60  HB2   4  0.50  1.93  
 8   75  HE3   5  0.53  1.90  
 9  108  HG21  6  0.55  1.87  
10  118  HD13  2  0.45  1.99  
11  132  HD12  5  0.53  1.90  
12  135  HG22  6  0.55  1.87  
#
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   7  0.853  0.300   1.192  
  2    2   8  0.977  0.272   0.735  
  3    3   9  0.898  0.283   0.639  
  4    4   9  0.947  0.322   0.787  
  5    5  11  0.909  0.224  -0.022  
  6    6   8  0.959  0.230   0.221  
  7    7   7  0.954  0.227   0.294  
  8    8   8  0.936  0.330   1.446  
  9    9   5  0.720  0.299   1.327  
 10   10   4  0.809  0.319   1.705  
 11   11   8  0.901  0.288   1.190  
 12   12   4  0.803  0.134  -0.461  
 13   13   8  0.900  0.168  -0.301  
 14   14   8  0.932  0.448   2.892  
 15   15   8  0.873  0.145  -0.586  
 16   16  10  0.889  0.281   1.188  
 17   17   8  0.916  0.160  -0.400  
 18   18   9  0.934  0.220   0.106  
 19   19   5  0.991  0.215   0.387  
 20   20   8  0.971  0.287   0.873  
 21   21   5  0.971  0.229   0.561  
 22   22   9  0.883  0.214   0.035  
 23   23   5  0.985  0.307   1.526  
 24   24   8  0.985  0.266   0.662  
 25   25  11  0.931  0.234   0.084  
 26   26   9  0.938  0.184  -0.446  
 27   27   5  0.971  0.258   0.920  
 28   28  11  0.878  0.343   1.240  
 29   29   9  0.838  0.282   0.628  
 30   30   9  0.942  0.202  -0.108  
 31   31  10  0.896  0.282   1.201  
 32   32   7  0.935  0.184   0.004  
 33   33   8  0.946  0.138  -0.673  
 34   34   5  0.883  0.151       ?  
 35   35   6  0.974  0.186   0.112  
 36   36   7  0.973  0.254   0.626  
 37   37   7  0.989  0.227   0.589  
 38   38  11  0.955  0.298   0.762  
 39   39   7  0.975  0.303   1.229  
 40   40   7  0.971  0.234   0.380  
 41   41   7  0.968  0.322   1.462  
 42   42   8  0.917  0.217   0.357  
 43   43   9  0.912  0.311   0.677  
 44   44   9  0.947  0.151  -0.808  
 45   45   7  0.979  0.164  -0.268  
 46   46   9  0.922  0.164  -0.666  
 47   47   8  0.931  0.348   1.613  
 48   48   5  0.897  0.124  -0.739  
 49   49   5  0.671  0.384   1.747  
 50   50   5  0.786  0.520   3.238  
 51   51   4  0.497  0.248   0.874  
 52   52   5  0.823  0.205  -0.216  
 53   53   8  0.910  0.150  -0.524  
 54   54  11  0.878  0.238   0.126  
 55   55   7  0.960  0.131  -0.717  
 56   56  11  0.892  0.272   0.487  
 57   57   9  0.964  0.316   1.250  
 58   58   8  0.969  0.223   0.135  
 59   59   8  0.970  0.343   1.605  
 60   60   8  0.957  0.162  -0.365  
 61   61   8  0.967  0.344   1.618  
 62   62   7  0.959  0.210   0.358  
 63   63   5  0.895  0.198       ?  
 64   64   7  0.921  0.217   0.453  
 65   65   9  0.942  0.237  -0.066  
 66   66   9  0.923  0.288   0.446  
 67   67   8  0.911  0.214  -0.013  
 68   68   8  0.894  0.126  -0.822  
 69   69   7  0.898  0.234   0.380  
 70   70  14  0.879  0.207   0.185  
 71   71   7  0.748  0.375   2.603  
 72   72   7  0.952  0.273   0.860  
 73   73   8  0.978  0.262   0.613  
 74   74   5  0.965  0.187  -0.413  
 75   75   9  0.955  0.334   0.908  
 76   76  11  0.935  0.376   1.590  
 77   77   8  0.976  0.262   0.613  
 78   78   7  0.868  0.277   0.909  
 79   79   8  0.902  0.203  -0.110  
 80   80   8  0.857  0.412   2.730  
 81   81   4  0.697  0.283   1.283  
 82   82   8  0.884  0.144  -0.599  
 83   83   4  0.821  0.135  -0.450  
 84   84   5  0.915  0.143  -0.611  
 85   85   8  0.939  0.300   1.078  
 86   86   8  0.901  0.278   1.066  
 87   87  10  0.918  0.283   1.214  
 88   88   8  0.895  0.234   0.519  
 89   89   9  0.911  0.215   0.046  
 90   90   5  0.968  0.259   0.932  
 91   91   8  0.971  0.280   0.788  
 92   92   5  0.973  0.229   0.561  
 93   93   9  0.972  0.197  -0.168  
 94   94   5  0.973  0.235   0.635  
 95   95   8  0.973  0.264   0.637  
 96   96  11  0.940  0.188  -0.404  
 97   97   9  0.946  0.185  -0.435  
 98   98   5  0.987  0.183  -0.009  
 99   99  11  0.921  0.287   0.646  
100  100   9  0.905  0.257   0.354  
101  101   9  0.913  0.192  -0.228  
102  102  10  0.901  0.212   0.287  
103  103   7  0.971  0.172  -0.150  
104  104   8  0.934  0.161  -0.388  
105  105   5  0.851  0.120       ?  
106  106   6  0.955  0.167  -0.142  
107  107   7  0.987  0.234   0.380  
108  108   7  0.953  0.185   0.018  
109  109  11  0.951  0.201  -0.266  
110  110   7  0.946  0.288   1.044  
111  111   7  0.956  0.271   0.835  
112  112   7  0.968  0.280   0.946  
113  113   8  0.929  0.214   0.318  
114  114   9  0.958  0.307   0.637  
115  115   9  0.949  0.235   0.113  
116  116   7  0.949  0.163  -0.282  
117  117   9  0.911  0.278   0.584  
118  118   8  0.921  0.317   1.237  
119  119   5  0.659  0.253   0.858  
120  120   5  0.655  0.259   0.376  
121  121   9  0.902  0.254   0.321  
122  122   4  0.631  0.104  -0.813  
123  123   5  0.595  0.156  -0.753  
124  124   8  0.721  0.252   0.743  
125  125  11  0.850  0.179  -0.499  
126  126   7  0.915  0.138  -0.622  
127  127  11  0.894  0.276   0.529  
128  128   9  0.961  0.258   0.559  
129  129   8  0.966  0.264   0.637  
130  130   8  0.973  0.359   1.801  
131  131   5  0.914  0.192   0.029  
132  132   8  0.963  0.268   0.686  
133  133   7  0.972  0.217   0.453  
134  134   5  0.902  0.159       ?  
135  135   7  0.880  0.191   0.099  
136  136   9  0.913  0.415   1.721  
137  137   9  0.936  0.208  -0.357  
138  138   8  0.932  0.351   1.649  
139  139   8  0.813  0.163  -0.363  
140  140   7  0.931  0.304   1.241  
141  141  14  0.841  0.313   1.669  
#
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  
##
