data_1FDB

_entry.id  1FDB
#
loop_
_entity.id
_entity.type
_entity.src_method
_entity.pdbx_description
_entity.formula_weight
_entity.pdbx_number_of_molecules
_entity.pdbx_ec
_entity.pdbx_mutation
_entity.pdbx_fragment
_entity.details
1  polymer      man  FERREDOXIN             12059.530   1  ?  ?  ?  ?  
2  non-polymer  syn  "IRON/SULFUR CLUSTER"    351.640   1  ?  ?  ?  ?  
3  non-polymer  syn  "FE3-S4 CLUSTER"         295.795   1  ?  ?  ?  ?  
4  water        nat  water                     18.015  23  ?  ?  ?  ?  
#
loop_
_struct_asym.id
_struct_asym.pdbx_blank_PDB_chainid_flag
_struct_asym.pdbx_modified
_struct_asym.entity_id
_struct_asym.details
A  ?     N  1  ?  
B  ?     N  2  ?  
C  ?     N  3  ?  
D  ?     N  4  ?  
#
_pdbx_vrpt_database.id             PDB
_pdbx_vrpt_database.code           1FDB
_pdbx_vrpt_database.extended_code  pdb_00001fdb
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    1FDB
_pdbx_vrpt_summary.extended_entry_id           pdb_00001fdb
_pdbx_vrpt_summary.PDB_deposition_date         1993-06-29
_pdbx_vrpt_summary.PDB_revision_number         4
_pdbx_vrpt_summary.PDB_revision_date           2024-02-07
_pdbx_vrpt_summary.report_creation_date        2026-03-01:19:38
_pdbx_vrpt_summary.attempted_validation_steps  molprobity,validation-pack,mogul,validation_schema,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      FERREDOXIN  
2  non-polymer  "IRON/SULFUR CLUSTER"  
3  non-polymer  "FE3-S4 CLUSTER"  
4  water        water  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  2  
C  3  
D  4  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all  x-ray  
2  2.2  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      
#
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   59.82  190562     ?     ?  
2  2  1   68.41    6851  2.20  2.20  
3  1  2  100.00  187476     ?     ?  
4  2  2  100.00    6768  2.20  2.20  
5  1  3    6.52  187428     ?     ?  
6  2  3    6.56    6769  2.20  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    6.52  
4  6  3  A  1  1  A    6.56  
#
_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      1.93
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ       1.11
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ   862
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ  1175
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  0.00
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       10.42
_pdbx_vrpt_summary_geometry.clashscore                     4.28
_pdbx_vrpt_summary_geometry.num_H_reduce                   778
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 862
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     1.11
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                1175
_pdbx_vrpt_summary_geometry.angles_RMSZ                    1.93
#
_pdbx_vrpt_summary_diffraction.exp_method           x-ray
_pdbx_vrpt_summary_diffraction.ordinal              1
_pdbx_vrpt_summary_diffraction.PDB_resolution_high  2.20
_pdbx_vrpt_summary_diffraction.PDB_resolution_low   8.00
_pdbx_vrpt_summary_diffraction.PDB_R                0.2310
#
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_bond_outliers
_pdbx_vrpt_model_instance.count_angle_outliers
_pdbx_vrpt_model_instance.count_clashes
  1  1  1  A    1  ALA  A    1  .  ?        ?     ?     1  
  2  1  1  A    2  PHE  A    2  .  ?        ?     1     ?  
  3  1  1  A    3  VAL  A    3  .  ?        ?     ?     ?  
  4  1  1  A    4  VAL  A    4  .  ?        ?     ?     ?  
  5  1  1  A    5  THR  A    5  .  ?        ?     ?     ?  
  6  1  1  A    6  ASP  A    6  .  ?        ?     1     ?  
  7  1  1  A    7  ASN  A    7  .  ?        ?     ?     ?  
  8  1  1  A    8  CYS  A    8  .  ?        ?     ?     ?  
  9  1  1  A    9  ILE  A    9  .  ?        ?     ?     ?  
 10  1  1  A   10  LYS  A   10  .  ?        ?     ?     1  
 11  1  1  A   11  CYS  A   11  .  ?        ?     ?     ?  
 12  1  1  A   12  LYS  A   12  .  ?        ?     ?     ?  
 13  1  1  A   13  TYR  A   13  .  ?        ?     ?     ?  
 14  1  1  A   14  THR  A   14  .  ?        ?     ?     1  
 15  1  1  A   15  ASP  A   15  .  ?        ?     ?     ?  
 16  1  1  A   16  CYS  A   16  .  ?        ?     ?     ?  
 17  1  1  A   17  VAL  A   17  .  ?        ?     ?     1  
 18  1  1  A   18  GLU  A   18  .  ?        ?     ?     ?  
 19  1  1  A   19  VAL  A   19  .  ?        ?     1     ?  
 20  1  1  A   20  CYS  A   20  .  ?        ?     ?     ?  
 21  1  1  A   21  PRO  A   21  .  ?        ?     ?     ?  
 22  1  1  A   22  VAL  A   22  .  ?        ?     ?     ?  
 23  1  1  A   23  ASP  A   23  .  ?        ?     ?     ?  
 24  1  1  A   24  CYS  A   24  .  ?        ?     ?     ?  
 25  1  1  A   25  PHE  A   25  .  ?        ?     ?     ?  
 26  1  1  A   26  TYR  A   26  .  ?        ?     ?     ?  
 27  1  1  A   27  GLU  A   27  .  ?        ?     1     1  
 28  1  1  A   28  GLY  A   28  .  ?        ?     ?     ?  
 29  1  1  A   29  PRO  A   29  .  ?        ?     ?     ?  
 30  1  1  A   30  ASN  A   30  .  ?        ?     1     ?  
 31  1  1  A   31  PHE  A   31  .  ?        ?     1     ?  
 32  1  1  A   32  LEU  A   32  .  ?        ?     ?     ?  
 33  1  1  A   33  VAL  A   33  .  ?        ?     ?     ?  
 34  1  1  A   34  ILE  A   34  .  ?        ?     ?     ?  
 35  1  1  A   35  HIS  A   35  .  ?        1     2     ?  
 36  1  1  A   36  PRO  A   36  .  ?        ?     ?     ?  
 37  1  1  A   37  ASP  A   37  .  ?        ?     ?     ?  
 38  1  1  A   38  GLU  A   38  .  ?        ?     ?     ?  
 39  1  1  A   39  CYS  A   39  .  ?        ?     ?     ?  
 40  1  1  A   40  ILE  A   40  .  ?        ?     ?     ?  
 41  1  1  A   41  ASP  A   41  .  ?        ?     ?     ?  
 42  1  1  A   42  CYS  A   42  .  ?        ?     ?     1  
 43  1  1  A   43  ALA  A   43  .  ?        ?     ?     ?  
 44  1  1  A   44  LEU  A   44  .  ?        ?     ?     2  
 45  1  1  A   45  CYS  A   45  .  ?        ?     ?     ?  
 46  1  1  A   46  GLU  A   46  .  ?        ?     ?     ?  
 47  1  1  A   47  PRO  A   47  .  ?        ?     ?     1  
 48  1  1  A   48  GLU  A   48  .  ?        ?     ?     ?  
 49  1  1  A   49  CYS  A   49  .  ?        ?     1     ?  
 50  1  1  A   50  PRO  A   50  .  ?        ?     ?     ?  
 51  1  1  A   51  ALA  A   51  .  ?        ?     ?     ?  
 52  1  1  A   52  GLN  A   52  .  ?        ?     1     ?  
 53  1  1  A   53  ALA  A   53  .  ?        ?     ?     ?  
 54  1  1  A   54  ILE  A   54  .  ?        ?     ?     ?  
 55  1  1  A   55  PHE  A   55  .  ?        ?     ?     ?  
 56  1  1  A   56  SER  A   56  .  ?        ?     ?     ?  
 57  1  1  A   57  GLU  A   57  .  ?        ?     1     1  
 58  1  1  A   58  ASP  A   58  .  ?        ?     ?     ?  
 59  1  1  A   59  GLU  A   59  .  ?        ?     ?     ?  
 60  1  1  A   60  VAL  A   60  .  ?        ?     2     ?  
 61  1  1  A   61  PRO  A   61  .  ?        1     ?     ?  
 62  1  1  A   62  GLU  A   62  .  ?        ?     ?     ?  
 63  1  1  A   63  ASP  A   63  .  ?        ?     ?     ?  
 64  1  1  A   64  MET  A   64  .  ?        ?     ?     ?  
 65  1  1  A   65  GLN  A   65  .  ?        ?     ?     ?  
 66  1  1  A   66  GLU  A   66  .  ?        ?     2     ?  
 67  1  1  A   67  PHE  A   67  .  ?        ?     1     ?  
 68  1  1  A   68  ILE  A   68  .  ?        ?     ?     ?  
 69  1  1  A   69  GLN  A   69  .  ?        ?     ?     ?  
 70  1  1  A   70  LEU  A   70  .  ?        ?     ?     ?  
 71  1  1  A   71  ASN  A   71  .  ?        ?     2     ?  
 72  1  1  A   72  ALA  A   72  .  ?        ?     ?     ?  
 73  1  1  A   73  GLU  A   73  .  ?        ?     1     ?  
 74  1  1  A   74  LEU  A   74  .  ?        ?     ?     ?  
 75  1  1  A   75  ALA  A   75  .  ?        ?     ?     ?  
 76  1  1  A   76  GLU  A   76  .  ?        ?     ?     ?  
 77  1  1  A   77  VAL  A   77  .  ?        ?     ?     ?  
 78  1  1  A   78  TRP  A   78  .  ?        ?     2     ?  
 79  1  1  A   79  PRO  A   79  .  ?        ?     ?     ?  
 80  1  1  A   80  ASN  A   80  .  ?        ?     3     ?  
 81  1  1  A   81  ILE  A   81  .  ?        ?     ?     1  
 82  1  1  A   82  THR  A   82  .  ?        ?     ?     ?  
 83  1  1  A   83  GLU  A   83  .  ?        ?     ?     ?  
 84  1  1  A   84  LYS  A   84  .  ?        ?     ?     1  
 85  1  1  A   85  LYS  A   85  .  ?        ?     ?     1  
 86  1  1  A   86  ASP  A   86  .  ?        ?     ?     ?  
 87  1  1  A   87  PRO  A   87  .  ?        ?     ?     ?  
 88  1  1  A   88  LEU  A   88  .  ?        ?     2     ?  
 89  1  1  A   89  PRO  A   89  .  ?        ?     1     ?  
 90  1  1  A   90  ASP  A   90  .  ?        ?     ?     ?  
 91  1  1  A   91  ALA  A   91  .  ?        ?     ?     ?  
 92  1  1  A   92  GLU  A   92  .  ?        ?     2     ?  
 93  1  1  A   93  ASP  A   93  .  ?        ?     ?     ?  
 94  1  1  A   94  TRP  A   94  .  ?        ?     ?     ?  
 95  1  1  A   95  ASP  A   95  .  ?        ?     ?     ?  
 96  1  1  A   96  GLY  A   96  .  ?        ?     ?     ?  
 97  1  1  A   97  VAL  A   97  .  ?        ?     ?     ?  
 98  1  1  A   98  LYS  A   98  .  ?        ?     ?     ?  
 99  1  1  A   99  GLY  A   99  .  ?        ?     ?     ?  
100  1  1  A  100  LYS  A  100  .  ?        ?     ?     ?  
101  1  1  A  101  LEU  A  101  .  ?        ?     ?     ?  
102  1  1  A  102  GLN  A  102  .  ?        ?     ?     ?  
103  1  1  A  103  HIS  A  103  .  ?        2     ?     ?  
104  1  1  A  104  LEU  A  104  .  ?        ?     ?     ?  
105  1  1  A  105  GLU  A  105  .  ?        ?     ?     ?  
106  1  1  A  106  ARG  A  106  .  ?        ?     ?     ?  
107  1  2  B    .  SF4  A  107  .  ?        ?     ?     ?  
108  1  3  C    .  F3S  A  108  .  ?        ?     ?     ?  
109  1  4  D    .  HOH  A  109  .  ?        ?     ?     ?  
110  1  4  D    .  HOH  A  110  .  ?        ?     ?     ?  
111  1  4  D    .  HOH  A  111  .  ?        ?     ?     ?  
112  1  4  D    .  HOH  A  112  .  ?        ?     ?     ?  
113  1  4  D    .  HOH  A  113  .  ?        ?     ?     ?  
114  1  4  D    .  HOH  A  114  .  ?        ?     ?     ?  
115  1  4  D    .  HOH  A  115  .  ?        ?     ?     ?  
116  1  4  D    .  HOH  A  116  .  ?        ?     ?     ?  
117  1  4  D    .  HOH  A  117  .  ?        ?     ?     ?  
118  1  4  D    .  HOH  A  118  .  ?        ?     ?     ?  
119  1  4  D    .  HOH  A  119  .  ?        ?     ?     ?  
120  1  4  D    .  HOH  A  120  .  ?        ?     ?     ?  
121  1  4  D    .  HOH  A  121  .  ?        ?     ?     ?  
122  1  4  D    .  HOH  A  122  .  ?        ?     ?     ?  
123  1  4  D    .  HOH  A  123  .  ?        ?     ?     ?  
124  1  4  D    .  HOH  A  124  .  ?        ?     ?     ?  
125  1  4  D    .  HOH  A  125  .  ?        ?     ?     ?  
126  1  4  D    .  HOH  A  126  .  ?        ?     ?     ?  
127  1  4  D    .  HOH  A  128  .  ?        ?     ?     ?  
128  1  4  D    .  HOH  A  129  .  ?        ?     ?     ?  
129  1  4  D    .  HOH  A  130  .  ?        ?     ?     ?  
130  1  4  D    .  HOH  A  131  .  ?        ?     ?     ?  
131  1  4  D    .  HOH  A  133  .  ?        ?     ?     1  
#
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.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
  1    1  ?             ?       ?  ?           7   5  0.97     7  0.88  molprobity  
  2    2  m-80      -91.7   152.3  Favored     9  12  0.55    16  2.15  molprobity  
  3    3  t        -132.6   132.9  Favored     9   7  0.88    10  2.22  molprobity  
  4    4  t         -87.9   128.8  Favored     9   7  1.41    10  1.19  molprobity  
  5    5  p        -109.0  -169.7  Allowed     7   7  1.05    10  2.09  molprobity  
  6    6  t70       -38.2   -45.8  Allowed     4   8  0.82    11  2.21  molprobity  
  7    7  t0        -71.9   -13.9  Favored     6   8  0.69    11  1.37  molprobity  
  8    8  t         -66.0   -31.0  Favored     4   6  0.99     8  0.78  molprobity  
  9    9  mt        -65.2   132.8  Favored    11   8  0.96    11  1.51  molprobity  
 10   10  mtpt       63.2    10.5  Favored    13   9  0.89    11  1.08  molprobity  
 11   11  m        -108.3   -66.0  Allowed     5   6  1.26     8  1.74  molprobity  
 12   12  tttt       44.6    62.2  Favored    13   9  0.76    11  1.46  molprobity  
 13   13  m-80      -68.4   -22.4  Favored     9  13  0.66    18  1.47  molprobity  
 14   14  p          50.6    19.4  Allowed     7   7  0.95    10  1.72  molprobity  
 15   15  m-30      -62.4   -32.8  Favored     4   8  0.93    11  1.50  molprobity  
 16   16  p         -56.3   -29.2  Favored     4   6  0.74     8  1.89  molprobity  
 17   17  m         -79.3   -20.7  Favored     9   7  0.84    10  1.09  molprobity  
 18   18  OUTLIER   -67.1   -28.6  Favored     6   9  0.92    12  2.69  molprobity  
 19   19  OUTLIER   -96.5   -10.6  Favored     9   7  1.43    10  3.49  molprobity  
 20   20  t         -70.3   121.5  Favored     4   6  0.51     9  1.93  molprobity  
 21   21  Cg_endo   -76.5   -22.4  Favored     7   8  1.28    11  1.34  molprobity  
 22   22  m        -109.5    -2.4  Favored     9   7  1.09    10  1.89  molprobity  
 23   23  m-30       63.6    55.8  Allowed     4   8  0.83    11  2.47  molprobity  
 24   24  p        -110.2    30.9  Favored     5   6  1.08     8  1.30  molprobity  
 25   25  m-80      -97.8   139.5  Favored     9  12  0.59    16  0.98  molprobity  
 26   26  m-80     -125.0   145.6  Favored     9  13  0.57    18  0.95  molprobity  
 27   27  tt0      -104.9   126.9  Favored     6   9  1.22    12  2.11  molprobity  
 28   28  ?        -111.9   171.1  Favored     3   4  0.63     6  2.51  molprobity  
 29   29  Cg_exo    -44.0   -45.1  Favored     7   8  0.68    11  1.35  molprobity  
 30   30  p0       -143.3    28.8  Allowed     6   8  0.90    11  2.42  molprobity  
 31   31  t80      -162.9   156.8  Favored     9  12  0.45    16  2.10  molprobity  
 32   32  OUTLIER  -118.5   151.5  Favored    11   8  0.74    11  1.27  molprobity  
 33   33  m        -130.1   155.5  Favored     9   7  0.74    10  1.46  molprobity  
 34   34  mt       -101.2   129.5  Favored    11   8  0.89    11  1.38  molprobity  
 35   35  t-90      -74.7   118.8  Favored     7  11  2.54    16  2.96  molprobity  
 36   36  Cg_endo   -73.0   -18.4  Favored     7   8  0.77    11  1.19  molprobity  
 37   37  m-30      -88.1   -19.2  Favored     4   8  1.13    11  1.46  molprobity  
 38   38  mt-10    -101.3   -23.5  Favored     6   9  1.05    12  1.24  molprobity  
 39   39  t         -62.0   139.6  Favored     4   6  1.17     8  0.80  molprobity  
 40   40  pt       -108.5    16.9  Favored    11   8  1.23    11  1.45  molprobity  
 41   41  m-30       49.6    36.8  Favored     4   8  0.96    11  1.86  molprobity  
 42   42  p         -70.1   -19.9  Favored     4   6  0.72     8  0.89  molprobity  
 43   43  ?          66.5     8.6  Favored     5   5  1.44     7  1.47  molprobity  
 44   44  OUTLIER   -64.3   -33.5  Favored    11   8  0.89    11  2.81  molprobity  
 45   45  p         -68.2   -31.5  Favored     4   6  0.89     8  1.35  molprobity  
 46   46  tt0       -60.8   -47.6  Favored     6   9  1.74    13  2.04  molprobity  
 47   47  Cg_exo    -61.4   -25.9  Favored     7   8  0.75    11  1.22  molprobity  
 48   48  mm-30     -78.2   -24.7  Favored     6   9  0.73    12  1.19  molprobity  
 49   49  t         -64.0   113.8  Favored     4   6  0.68     9  2.68  molprobity  
 50   50  Cg_exo    -60.6   -33.4  Favored     7   8  1.09    11  1.06  molprobity  
 51   51  ?         -79.8     0.1  Favored     5   5  0.33     7  1.54  molprobity  
 52   52  mm-40      38.0    49.3  Allowed     8   9  1.52    12  3.18  molprobity  
 53   53  ?         -90.1   -15.5  Favored     5   5  0.36     7  1.37  molprobity  
 54   54  mt        -92.0   142.6  Favored    11   8  0.96    11  1.81  molprobity  
 55   55  m-80     -145.6   146.4  Favored     9  12  0.78    16  1.53  molprobity  
 56   56  t         -62.5   144.1  Favored     5   6  1.09     8  2.35  molprobity  
 57   57  mt-10     -49.8   -33.5  Favored     6   9  1.66    12  2.17  molprobity  
 58   58  p0        -80.4   -13.1  Favored     4   8  0.82    11  1.03  molprobity  
 59   59  mt-10    -111.0     5.3  Favored     6   9  0.90    12  0.80  molprobity  
 60   60  t         -56.5   129.2  Favored     9   7  0.86    11  2.61  molprobity  
 61   61  Cg_exo    -53.6   150.5  Favored     7   8  2.22    11  1.81  molprobity  
 62   62  tm-30     -56.8   -48.3  Favored     6   9  0.72    12  0.65  molprobity  
 63   63  p0        -70.1     3.4  Favored     4   8  0.76    11  1.32  molprobity  
 64   64  mtm      -122.5    18.2  Favored     9   8  1.04    10  1.70  molprobity  
 65   65  mm-40     -63.5   -20.1  Favored     8   9  1.31    12  1.96  molprobity  
 66   66  OUTLIER   -59.6   -33.4  Favored     6   9  0.43    12  3.15  molprobity  
 67   67  m-80      -62.5   -22.7  Favored     9  12  0.98    16  1.93  molprobity  
 68   68  mt        -67.8   -52.2  Favored    11   8  1.64    11  1.77  molprobity  
 69   69  tt0       -69.3   -39.6  Favored     8   9  0.60    12  1.75  molprobity  
 70   70  OUTLIER   -56.0   -45.1  Favored    11   8  1.07    11  2.06  molprobity  
 71   71  m-40      -58.8   -41.1  Favored     6   8  0.52    11  2.81  molprobity  
 72   72  ?         -63.2   -45.1  Favored     5   5  0.79     7  2.50  molprobity  
 73   73  mm-30     -65.2   -53.0  Favored     6   9  1.57    12  2.10  molprobity  
 74   74  mt        -72.6   -26.9  Favored    11   8  0.98    11  1.81  molprobity  
 75   75  ?         -62.4   -23.2  Favored     5   5  0.66     7  0.89  molprobity  
 76   76  mm-30     -81.4   -19.8  Favored     6   9  1.25    12  1.72  molprobity  
 77   77  m        -110.4   -28.5  Favored     9   7  1.27    10  1.57  molprobity  
 78   78  m-10      -83.5   151.9  Favored    10  16  1.54    24  2.44  molprobity  
 79   79  Cg_endo   -68.8   149.2  Favored     7   8  0.94    11  1.88  molprobity  
 80   80  OUTLIER   -65.3   143.2  Favored     6   8  1.15    11  4.77  molprobity  
 81   81  tt       -122.2   125.2  Favored    11   8  1.57    11  2.23  molprobity  
 82   82  p        -118.8    -1.2  Favored     7   7  1.31    10  1.44  molprobity  
 83   83  mt-10    -130.8   142.9  Favored     6   9  0.70    12  1.19  molprobity  
 84   84  tttp      -62.6   152.5  Favored    13   9  1.07    11  1.77  molprobity  
 85   85  ptmt     -139.5  -179.3  Favored    13   9  0.90    11  2.28  molprobity  
 86   86  m-30      -69.8   148.4  Favored     4   8  0.79    12  2.43  molprobity  
 87   87  Cg_exo    -54.6   163.7  Favored     7   8  1.05    11  1.41  molprobity  
 88   88  mt        -69.0   148.7  Favored    11   8  1.04    12  2.75  molprobity  
 89   89  Cg_endo   -46.1   -42.8  Favored     7   8  1.19    11  2.24  molprobity  
 90   90  OUTLIER   -99.8    20.2  Favored     4   8  0.99    11  1.88  molprobity  
 91   91  ?         -50.2   -40.8  Favored     5   5  1.57     7  3.14  molprobity  
 92   92  OUTLIER   -61.2   -40.6  Favored     6   9  0.87    12  2.51  molprobity  
 93   93  m-30      -67.2   -38.1  Favored     4   8  0.55    11  1.50  molprobity  
 94   94  m100      -82.8    -8.7  Favored    10  16  1.57    23  2.29  molprobity  
 95   95  t0        -70.6   110.8  Favored     4   8  0.80    11  1.28  molprobity  
 96   96  ?         106.5   -12.9  Favored     3   4  0.76     5  1.55  molprobity  
 97   97  t         -71.2   139.2  Favored     9   7  0.96    10  1.65  molprobity  
 98   98  OUTLIER  -101.5   160.0  Favored    13   9  1.38    11  2.00  molprobity  
 99   99  ?          72.8    29.7  Favored     3   4  0.87     5  1.28  molprobity  
100  100  mtmt      -78.2    -6.2  Favored    13   9  1.31    11  1.69  molprobity  
101  101  tp        -59.4   -30.1  Favored    11   8  0.97    11  1.12  molprobity  
102  102  pt0       -64.3   -14.7  Favored     8   9  0.76    12  0.61  molprobity  
103  103  m90      -101.6     3.3  Favored     7  11  2.80    15  2.19  molprobity  
104  104  tp        -67.4   139.3  Favored    11   8  0.72    11  0.97  molprobity  
105  105  mt-10    -116.5   134.2  Favored     6   9  1.36    12  1.51  molprobity  
106  106  tpt-90        ?       ?  ?          13  11  0.83    11  1.50  molprobity  
107  107  ?             ?       ?  ?           ?   0     ?     ?     ?  mogul       
108  108  ?             ?       ?  ?           ?   0     ?     ?     ?  mogul       
#
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  O     1  0.56  2.06  
 2   10  HE3   2  0.46  2.16  
 3   14  O     3  0.41  2.20  
 4   17  HG22  3  0.41  2.20  
 5   27  HB2   4  0.56  1.88  
 6   42  SG    5  0.58  2.43  
 7   44  HB2   5  0.58  2.43  
 8   44  O     6  0.44  2.17  
 9   47  HD2   6  0.44  2.17  
10   57  HG3   1  0.56  2.06  
11   81  HB    4  0.56  1.88  
12   84  HE3   7  0.61  2.00  
13   85  O     7  0.61  2.00  
14  131  O     2  0.46  2.16  
#
loop_
_pdbx_vrpt_instance_intra_bond_outliers.ordinal
_pdbx_vrpt_instance_intra_bond_outliers.instance_id
_pdbx_vrpt_instance_intra_bond_outliers.atom_1
_pdbx_vrpt_instance_intra_bond_outliers.atom_2
_pdbx_vrpt_instance_intra_bond_outliers.obs
_pdbx_vrpt_instance_intra_bond_outliers.mean
_pdbx_vrpt_instance_intra_bond_outliers.stdev
_pdbx_vrpt_instance_intra_bond_outliers.Z
1   35  CD2  NE2  1.305  1.374  0.011  -6.28  
2   61  CA   CB   1.466  1.532  0.013  -5.15  
3  103  CD2  NE2  1.301  1.374  0.011  -6.64  
4  103  CG   ND1  1.315  1.378  0.011  -5.72  
#
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
_pdbx_vrpt_instance_intra_angle_outliers.link
 1   2  CA   CB  CG   107.926  113.800  1.000  -5.87  ?     
 2   6  N    CA  C    121.096  111.370  1.650   5.89  ?     
 3  19  N    CA  CB    98.397  112.070  1.520  -8.99  ?     
 4  27  N    CA  C    118.198  109.240  1.630   5.50  ?     
 5  30  CA   CB  CG   118.807  112.600  1.000   6.21  ?     
 6  31  CA   CB  CG   120.655  113.800  1.000   6.86  ?     
 7  35  CB   CG  CD2  122.327  131.200  1.300  -6.83  ?     
 8  35  CB   CG  ND1  130.558  122.700  1.500   5.24  ?     
 9  49  O    C   N    115.172  121.320  1.150  -5.35  Y     
10  52  OE1  CD  NE2  116.695  122.600  1.000  -5.91  ?     
11  57  CB   CA  C    100.280  110.460  1.940  -5.25  ?     
12  60  CA   C   N    125.138  119.890  1.020   5.14  Y     
13  60  C    N   CA   125.138  119.890  1.020   5.14  Y     
14  66  CB   CA  C    100.694  110.630  1.850  -5.37  ?     
15  66  CB   CG  CD   123.408  112.600  1.700   6.36  ?     
16  67  CA   CB  CG   108.136  113.800  1.000  -5.66  ?     
17  71  CB   CG  ND2  124.283  116.400  1.500   5.25  ?     
18  71  OD1  CG  ND2  116.123  122.600  1.000  -6.48  ?     
19  73  CB   CA  C    102.403  110.900  1.580  -5.38  ?     
20  78  CA   C   N    125.281  119.850  1.010   5.38  Y     
21  78  C    N   CA   125.281  119.850  1.010   5.38  Y     
22  80  CA   CB  CG   119.108  112.600  1.000   6.51  ?     
23  80  CB   CG  ND2  130.311  116.400  1.500   9.27  ?     
24  80  OD1  CG  ND2  113.665  122.600  1.000  -8.94  ?     
25  88  CA   C   N    125.178  119.320  1.140   5.14  Y     
26  88  C    N   CA   125.178  119.320  1.140   5.14  Y     
27  89  O    C   N    128.481  122.240  1.150   5.43  Y     
28  92  CA   CB  CG   124.248  114.100  2.000   5.07  ?     
29  92  N    CA  C    117.183  111.280  1.090   5.42  ?     
#
loop_
_pdbx_vrpt_software.ordinal
_pdbx_vrpt_software.name
_pdbx_vrpt_software.version
_pdbx_vrpt_software.success_y_or_n
1  molprobity           "4-5-2 with Phenix2.0"                                              Y  
2  mogul                "2022.3.0, CSD as543be (2022)"                                      Y  
3  buster-report        "wwPDB partial adaption of 1.1.7 (2018)"                            Y  
4  percentiles          "20250101.v01 (using entries in the PDB archive January 1st 2025)"  Y  
5  validation-pipeline  2.49                                                                Y  
##
