data_1J4P

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  1J4P
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   nmr
#
_pdbx_vrpt_summary.entry_id                    1J4P
_pdbx_vrpt_summary.PDB_deposition_date         2001-10-22
_pdbx_vrpt_summary.PDB_revision_number         4
_pdbx_vrpt_summary.PDB_revision_date           2022-02-23
_pdbx_vrpt_summary.report_creation_date        2022-08-20:12:10
_pdbx_vrpt_summary.attempted_validation_steps  mogul,molprobity,validation-pack,coreclust,chemicalshifts,percentiles,writepdf,writexml,writecif
_pdbx_vrpt_summary.ligands_for_buster_report   N
#
loop_
_pdbx_vrpt_entity.id
_pdbx_vrpt_entity.type
_pdbx_vrpt_entity.description
1  polymer  "PROTEIN KINASE SPK1"  
2  polymer  "DNA REPAIR PROTEIN RAD9"  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  2  
#
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  A  0.41  0.31  1214  1633  
2  1  2  B  B  0.35  0.29   101   131  
#
_pdbx_vrpt_summary_geometry.ordinal                                    1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers_full_length  6.29
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers_full_length       24.83
_pdbx_vrpt_summary_geometry.clashscore_full_length                     32.61
_pdbx_vrpt_summary_geometry.num_H_reduce                               1326
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                             1315
_pdbx_vrpt_summary_geometry.bonds_RMSZ                                 0.31
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                            1764
_pdbx_vrpt_summary_geometry.angles_RMSZ                                0.41
#
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  ALA  A   14  .  ?        ?  
  2  1  1  A    2  THR  A   15  .  ?        ?  
  3  1  1  A    3  GLN  A   16  .  ?        ?  
  4  1  1  A    4  ARG  A   17  .  ?        ?  
  5  1  1  A    5  PHE  A   18  .  ?        ?  
  6  1  1  A    6  LEU  A   19  .  ?        ?  
  7  1  1  A    7  ILE  A   20  .  ?        ?  
  8  1  1  A    8  GLU  A   21  .  ?        1  
  9  1  1  A    9  LYS  A   22  .  ?        ?  
 10  1  1  A   10  PHE  A   23  .  ?        ?  
 11  1  1  A   11  SER  A   24  .  ?        1  
 12  1  1  A   12  GLN  A   25  .  ?        5  
 13  1  1  A   13  GLU  A   26  .  ?        1  
 14  1  1  A   14  GLN  A   27  .  ?        ?  
 15  1  1  A   15  ILE  A   28  .  ?        ?  
 16  1  1  A   16  GLY  A   29  .  ?        ?  
 17  1  1  A   17  GLU  A   30  .  ?        ?  
 18  1  1  A   18  ASN  A   31  .  ?        ?  
 19  1  1  A   19  ILE  A   32  .  ?        1  
 20  1  1  A   20  VAL  A   33  .  ?        6  
 21  1  1  A   21  CYS  A   34  .  ?        1  
 22  1  1  A   22  ARG  A   35  .  ?        ?  
 23  1  1  A   23  VAL  A   36  .  ?        4  
 24  1  1  A   24  ILE  A   37  .  ?        1  
 25  1  1  A   25  CYS  A   38  .  ?        ?  
 26  1  1  A   26  THR  A   39  .  ?        1  
 27  1  1  A   27  THR  A   40  .  ?        ?  
 28  1  1  A   28  GLY  A   41  .  ?        ?  
 29  1  1  A   29  GLN  A   42  .  ?        ?  
 30  1  1  A   30  ILE  A   43  .  ?        5  
 31  1  1  A   31  PRO  A   44  .  ?        1  
 32  1  1  A   32  ILE  A   45  .  ?        1  
 33  1  1  A   33  ARG  A   46  .  ?        ?  
 34  1  1  A   34  ASP  A   47  .  ?        ?  
 35  1  1  A   35  LEU  A   48  .  ?        3  
 36  1  1  A   36  SER  A   49  .  ?        4  
 37  1  1  A   37  ALA  A   50  .  ?        1  
 38  1  1  A   38  ASP  A   51  .  ?        1  
 39  1  1  A   39  ILE  A   52  .  ?        1  
 40  1  1  A   40  SER  A   53  .  ?        ?  
 41  1  1  A   41  GLN  A   54  .  ?        ?  
 42  1  1  A   42  VAL  A   55  .  ?        2  
 43  1  1  A   43  LEU  A   56  .  ?        ?  
 44  1  1  A   44  LYS  A   57  .  ?        ?  
 45  1  1  A   45  GLU  A   58  .  ?        ?  
 46  1  1  A   46  LYS  A   59  .  ?        ?  
 47  1  1  A   47  ARG  A   60  .  ?        ?  
 48  1  1  A   48  SER  A   61  .  ?        ?  
 49  1  1  A   49  ILE  A   62  .  ?        ?  
 50  1  1  A   50  LYS  A   63  .  ?        1  
 51  1  1  A   51  LYS  A   64  .  ?        1  
 52  1  1  A   52  VAL  A   65  .  ?        4  
 53  1  1  A   53  TRP  A   66  .  ?        3  
 54  1  1  A   54  THR  A   67  .  ?        2  
 55  1  1  A   55  PHE  A   68  .  ?        9  
 56  1  1  A   56  GLY  A   69  .  ?        1  
 57  1  1  A   57  ARG  A   70  .  ?        1  
 58  1  1  A   58  ASN  A   71  .  ?        1  
 59  1  1  A   59  PRO  A   72  .  ?        ?  
 60  1  1  A   60  ALA  A   73  .  ?        1  
 61  1  1  A   61  CYS  A   74  .  ?        ?  
 62  1  1  A   62  ASP  A   75  .  ?        1  
 63  1  1  A   63  TYR  A   76  .  ?        2  
 64  1  1  A   64  HIS  A   77  .  ?        ?  
 65  1  1  A   65  LEU  A   78  .  ?        3  
 66  1  1  A   66  GLY  A   79  .  ?        ?  
 67  1  1  A   67  ASN  A   80  .  ?        ?  
 68  1  1  A   68  ILE  A   81  .  ?        3  
 69  1  1  A   69  SER  A   82  .  ?        ?  
 70  1  1  A   70  ARG  A   83  .  ?        1  
 71  1  1  A   71  LEU  A   84  .  ?        2  
 72  1  1  A   72  SER  A   85  .  ?        ?  
 73  1  1  A   73  ASN  A   86  .  ?        1  
 74  1  1  A   74  LYS  A   87  .  ?        1  
 75  1  1  A   75  HIS  A   88  .  ?        5  
 76  1  1  A   76  PHE  A   89  .  ?        1  
 77  1  1  A   77  GLN  A   90  .  ?        4  
 78  1  1  A   78  ILE  A   91  .  ?        5  
 79  1  1  A   79  LEU  A   92  .  ?        ?  
 80  1  1  A   80  LEU  A   93  .  ?        3  
 81  1  1  A   81  GLY  A   94  .  ?        ?  
 82  1  1  A   82  GLU  A   95  .  ?        ?  
 83  1  1  A   83  ASP  A   96  .  ?        1  
 84  1  1  A   84  GLY  A   97  .  ?        1  
 85  1  1  A   85  ASN  A   98  .  ?        ?  
 86  1  1  A   86  LEU  A   99  .  ?        2  
 87  1  1  A   87  LEU  A  100  .  ?        2  
 88  1  1  A   88  LEU  A  101  .  ?        4  
 89  1  1  A   89  ASN  A  102  .  ?        ?  
 90  1  1  A   90  ASP  A  103  .  ?        4  
 91  1  1  A   91  ILE  A  104  .  ?        1  
 92  1  1  A   92  SER  A  105  .  ?        3  
 93  1  1  A   93  THR  A  106  .  ?        2  
 94  1  1  A   94  ASN  A  107  .  ?        3  
 95  1  1  A   95  GLY  A  108  .  ?        ?  
 96  1  1  A   96  THR  A  109  .  ?        3  
 97  1  1  A   97  TRP  A  110  .  ?        2  
 98  1  1  A   98  LEU  A  111  .  ?        3  
 99  1  1  A   99  ASN  A  112  .  ?        ?  
100  1  1  A  100  GLY  A  113  .  ?        ?  
101  1  1  A  101  GLN  A  114  .  ?        ?  
102  1  1  A  102  LYS  A  115  .  ?        2  
103  1  1  A  103  VAL  A  116  .  ?        1  
104  1  1  A  104  GLU  A  117  .  ?        1  
105  1  1  A  105  LYS  A  118  .  ?        1  
106  1  1  A  106  ASN  A  119  .  ?        1  
107  1  1  A  107  SER  A  120  .  ?        1  
108  1  1  A  108  ASN  A  121  .  ?        1  
109  1  1  A  109  GLN  A  122  .  ?        ?  
110  1  1  A  110  LEU  A  123  .  ?        ?  
111  1  1  A  111  LEU  A  124  .  ?        3  
112  1  1  A  112  SER  A  125  .  ?        ?  
113  1  1  A  113  GLN  A  126  .  ?        ?  
114  1  1  A  114  GLY  A  127  .  ?        ?  
115  1  1  A  115  ASP  A  128  .  ?        1  
116  1  1  A  116  GLU  A  129  .  ?        ?  
117  1  1  A  117  ILE  A  130  .  ?        5  
118  1  1  A  118  THR  A  131  .  ?        2  
119  1  1  A  119  VAL  A  132  .  ?        3  
120  1  1  A  120  GLY  A  133  .  ?        ?  
121  1  1  A  121  VAL  A  134  .  ?        ?  
122  1  1  A  122  GLY  A  135  .  ?        ?  
123  1  1  A  123  VAL  A  136  .  ?        ?  
124  1  1  A  124  GLU  A  137  .  ?        ?  
125  1  1  A  125  SER  A  138  .  ?        ?  
126  1  1  A  126  ASP  A  139  .  ?        ?  
127  1  1  A  127  ILE  A  140  .  ?        2  
128  1  1  A  128  LEU  A  141  .  ?        3  
129  1  1  A  129  SER  A  142  .  ?        1  
130  1  1  A  130  LEU  A  143  .  ?        2  
131  1  1  A  131  VAL  A  144  .  ?        1  
132  1  1  A  132  ILE  A  145  .  ?        1  
133  1  1  A  133  PHE  A  146  .  ?        ?  
134  1  1  A  134  ILE  A  147  .  ?        1  
135  1  1  A  135  ASN  A  148  .  ?        ?  
136  1  1  A  136  ASP  A  149  .  ?        ?  
137  1  1  A  137  LYS  A  150  .  ?        ?  
138  1  1  A  138  PHE  A  151  .  ?        1  
139  1  1  A  139  LYS  A  152  .  ?        ?  
140  1  1  A  140  GLN  A  153  .  ?        ?  
141  1  1  A  141  CYS  A  154  .  ?        1  
142  1  1  A  142  LEU  A  155  .  ?        3  
143  1  1  A  143  GLU  A  156  .  ?        ?  
144  1  1  A  144  GLN  A  157  .  ?        ?  
145  1  1  A  145  ASN  A  158  .  ?        ?  
146  1  1  A  146  LYS  A  159  .  ?        ?  
147  1  1  A  147  VAL  A  160  .  ?        ?  
148  1  1  A  148  ASP  A  161  .  ?        ?  
149  1  1  A  149  ARG  A  162  .  ?        ?  
150  1  1  A  150  ILE  A  163  .  ?        2  
151  1  1  A  151  ARG  A  164  .  ?        ?  
152  1  2  B    1  LYS  B  165  .  ?        ?  
153  1  2  B    2  LYS  B  166  .  ?        ?  
154  1  2  B    3  MET  B  167  .  ?        ?  
155  1  2  B    4  THR  B  168  .  ?        ?  
156  1  2  B    5  PHE  B  169  .  ?        2  
157  1  2  B    6  GLN  B  170  .  ?        ?  
158  1  2  B    7  TPO  B  171  .  ?        ?  
159  1  2  B    8  PRO  B  172  .  ?        ?  
160  1  2  B    9  THR  B  173  .  ?        2  
161  1  2  B   10  ASP  B  174  .  ?        ?  
162  1  2  B   11  PRO  B  175  .  ?        ?  
163  1  2  B   12  LEU  B  176  .  ?        ?  
164  1  2  B   13  GLU  B  177  .  ?        ?  
#
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  ?             ?       ?  ?         4   5  0.15   7  0.20  molprobity  
  2    2  p         -58.3   -33.7  Favored   7   7  0.27  10  0.52  molprobity  
  3    3  OUTLIER   -59.8   -48.4  Favored   8   9  0.23  12  0.27  molprobity  
  4    4  ttt180    -72.4   -42.6  Favored  13  11  0.19  14  0.28  molprobity  
  5    5  t80       -57.0   -38.5  Favored   9  12  0.35  16  0.22  molprobity  
  6    6  OUTLIER   -59.7   -43.7  Favored  11   8  0.18  11  0.29  molprobity  
  7    7  OUTLIER   -73.8   -48.3  Favored  11   8  0.18  11  0.61  molprobity  
  8    8  tt0       -60.4   -32.4  Favored   6   9  0.21  12  0.26  molprobity  
  9    9  OUTLIER   -51.8   -25.1  Favored  13   9  0.26  11  0.19  molprobity  
 10   10  m-85      -74.1   -48.5  Favored   9  12  0.42  16  0.27  molprobity  
 11   11  OUTLIER   -83.7   -41.7  Favored   5   6  0.22   8  0.49  molprobity  
 12   12  OUTLIER   -45.1  -128.4  OUTLIER   8   9  0.40  12  0.54  molprobity  
 13   13  OUTLIER   -61.8   120.9  Favored   6   9  0.22  12  0.35  molprobity  
 14   14  tt0       -69.4   144.0  Favored   8   9  0.22  12  0.24  molprobity  
 15   15  mm        -79.8   139.2  Favored  11   8  0.39  11  0.70  molprobity  
 16   16  ?         157.7    40.9  OUTLIER   3   4  0.23   5  0.25  molprobity  
 17   17  tt0       -55.3   -37.7  Favored   6   9  0.19  12  0.28  molprobity  
 18   18  m-20     -171.6    33.2  OUTLIER   6   8  0.37  11  0.76  molprobity  
 19   19  mm        -80.5   133.8  Favored  11   8  0.72  11  0.63  molprobity  
 20   20  t         -91.2   -62.1  Allowed   9   7  0.90  10  0.72  molprobity  
 21   21  m        -146.1   149.0  Favored   5   6  0.19   8  0.20  molprobity  
 22   22  OUTLIER  -113.7   125.5  Favored  13  11  0.18  14  0.25  molprobity  
 23   23  t         -94.5   122.6  Favored   9   7  0.15  10  0.45  molprobity  
 24   24  mt       -127.6   119.3  Favored  11   8  0.21  11  0.48  molprobity  
 25   25  t         -80.1   117.8  Favored   5   6  0.19   8  0.20  molprobity  
 26   26  OUTLIER   -85.5   -25.1  Favored   7   7  0.27  10  0.52  molprobity  
 27   27  p         -79.6    -2.5  Favored   7   7  0.24  10  0.54  molprobity  
 28   28  ?          64.0    77.0  Allowed   3   4  0.25   5  0.23  molprobity  
 29   29  mt-30    -147.1   -44.3  Allowed   8   9  0.20  12  0.28  molprobity  
 30   30  mt       -113.5   141.2  Favored  11   8  0.20  12  0.56  molprobity  
 31   31  Cg_endo   -72.7   139.4  Favored   7   8  0.17  11  0.29  molprobity  
 32   32  mt        -55.9   146.2  Favored  11   8  0.18  11  0.50  molprobity  
 33   33  ttt180   -143.2   164.1  Favored  13  11  0.18  14  0.23  molprobity  
 34   34  m-20     -118.9   119.4  Favored   4   8  0.13  11  0.34  molprobity  
 35   35  mt        -91.6   137.5  Favored  11   8  0.17  11  0.37  molprobity  
 36   36  OUTLIER  -147.3   158.0  Favored   5   6  0.62   8  0.99  molprobity  
 37   37  ?        -143.9   143.4  Favored   5   5  0.19   7  0.27  molprobity  
 38   38  OUTLIER   -74.6   128.8  Favored   4   8  0.18  11  0.33  molprobity  
 39   39  mt        -64.3   -41.2  Favored  11   8  0.22  11  0.46  molprobity  
 40   40  m         -60.2   -39.5  Favored   5   6  0.29   8  0.42  molprobity  
 41   41  mm-40     -69.2   -39.9  Favored   8   9  0.26  12  0.30  molprobity  
 42   42  t         -73.0   -43.5  Favored   9   7  0.13  10  0.43  molprobity  
 43   43  OUTLIER   -71.0   -35.1  Favored  11   8  0.18  11  0.23  molprobity  
 44   44  ttmt      -81.4   -37.5  Favored  13   9  0.22  11  0.22  molprobity  
 45   45  tt0       -98.2    98.9  Favored   6   9  0.20  12  0.26  molprobity  
 46   46  ptmt     -103.0    64.0  Allowed  13   9  0.22  11  0.22  molprobity  
 47   47  OUTLIER  -108.7  -164.1  Allowed  13  11  0.17  14  0.25  molprobity  
 48   48  OUTLIER   -55.2   -52.6  Favored   5   6  0.20   8  0.20  molprobity  
 49   49  tp       -143.4   156.8  Favored  11   8  0.15  11  0.40  molprobity  
 50   50  mptt     -101.8   -78.1  Allowed  13   9  0.21  11  0.18  molprobity  
 51   51  ttpt     -128.4   138.9  Favored  13   9  0.22  11  0.27  molprobity  
 52   52  t        -128.3   139.5  Favored   9   7  0.35  10  0.65  molprobity  
 53   53  m-90     -101.8   139.4  Favored  10  16  1.00  23  1.14  molprobity  
 54   54  OUTLIER  -112.1   127.1  Favored   7   7  0.31  10  0.57  molprobity  
 55   55  OUTLIER  -116.7   145.9  Favored   9  12  0.29  16  0.39  molprobity  
 56   56  ?         161.6  -170.3  Favored   3   4  0.31   5  0.21  molprobity  
 57   57  mtp-105   -80.3     2.9  Favored  13  11  0.24  14  0.42  molprobity  
 58   58  t-20      -84.7   133.5  Favored   6   8  0.26  12  0.45  molprobity  
 59   59  Cg_exo    -67.3   -12.8  Favored   7   8  0.21  11  0.39  molprobity  
 60   60  ?         -83.5   -43.4  Favored   5   5  0.58   7  0.89  molprobity  
 61   61  OUTLIER   -41.0   138.4  Allowed   5   6  0.84   8  0.49  molprobity  
 62   62  m-20      -55.4   -18.0  Favored   4   8  0.16  11  0.24  molprobity  
 63   63  t80      -129.8   120.2  Favored   9  13  0.26  18  0.22  molprobity  
 64   64  t-160     -99.5   109.2  Favored   7  11  0.15  15  0.21  molprobity  
 65   65  mt        -81.9  -164.4  Allowed  11   8  0.17  11  0.30  molprobity  
 66   66  ?         -80.1   -85.5  Allowed   3   4  0.24   5  0.24  molprobity  
 67   67  p30       177.7    74.6  OUTLIER   6   8  0.22  11  0.28  molprobity  
 68   68  mt       -112.2   117.7  Favored  11   8  0.17  11  0.46  molprobity  
 69   69  OUTLIER   -54.4   -33.0  Favored   5   6  0.19   8  0.21  molprobity  
 70   70  mmp_?     -64.8   -15.4  Favored  13  11  0.19  14  0.25  molprobity  
 71   71  mt       -107.7   148.7  Favored  11   8  0.19  11  0.20  molprobity  
 72   72  p         -92.7   164.7  Favored   5   6  0.19   8  0.22  molprobity  
 73   73  m-20      -42.2   -52.8  Favored   6   8  0.31  11  0.57  molprobity  
 74   74  mttm     -119.8    82.1  Allowed  13   9  0.30  11  0.57  molprobity  
 75   75  t60       -61.4   -46.3  Favored   7  11  0.50  15  0.54  molprobity  
 76   76  p90      -143.4   160.4  Favored   9  12  0.33  16  0.28  molprobity  
 77   77  tt0      -136.4   141.7  Favored   8   9  0.20  12  0.32  molprobity  
 78   78  mt       -117.7   130.6  Favored  11   8  0.22  11  0.49  molprobity  
 79   79  OUTLIER  -111.8   145.0  Favored  11   8  0.19  11  0.31  molprobity  
 80   80  tp       -125.1   128.9  Favored  11   8  0.19  11  0.28  molprobity  
 81   81  ?         166.7  -131.3  Favored   3   4  0.25   5  0.23  molprobity  
 82   82  mm-40      64.5   -79.1  OUTLIER   6   9  0.18  12  0.24  molprobity  
 83   83  m-20     -152.8   -76.1  Allowed   4   8  0.12  11  0.29  molprobity  
 84   84  ?        -142.4    27.7  Favored   3   4  0.25   5  0.23  molprobity  
 85   85  m-20     -126.5  -171.0  Favored   6   8  0.23  11  0.29  molprobity  
 86   86  OUTLIER  -131.0   157.9  Favored  11   8  0.19  11  0.22  molprobity  
 87   87  mp       -133.1   145.0  Favored  11   8  0.21  11  0.22  molprobity  
 88   88  OUTLIER  -112.8   124.1  Favored  11   8  0.21  11  0.21  molprobity  
 89   89  t30      -116.2   115.1  Favored   6   8  0.22  11  0.35  molprobity  
 90   90  p30       -77.9   140.8  Favored   4   8  0.19  11  0.25  molprobity  
 91   91  pt       -147.1    39.5  Allowed  11   8  0.18  11  0.54  molprobity  
 92   92  OUTLIER   -97.0   157.0  Favored   5   6  0.67   8  0.60  molprobity  
 93   93  m         -69.8   -35.9  Favored   7   7  0.25  10  0.53  molprobity  
 94   94  OUTLIER   -99.2   -20.5  Favored   6   8  0.27  11  0.53  molprobity  
 95   95  ?         124.6   158.4  Favored   3   4  0.64   5  0.63  molprobity  
 96   96  m        -118.1   138.7  Favored   7   7  0.29  10  0.59  molprobity  
 97   97  m-90     -113.6   149.2  Favored  10  16  0.55  23  0.53  molprobity  
 98   98  OUTLIER  -124.2   112.0  Favored  11   8  0.33  11  0.45  molprobity  
 99   99  m-20       44.8    43.9  Favored   6   8  0.25  11  0.39  molprobity  
100  100  ?          88.2   -12.7  Favored   3   4  0.53   5  0.20  molprobity  
101  101  mt-30    -103.7   117.2  Favored   8   9  0.24  12  0.31  molprobity  
102  102  tptm      -71.9   128.6  Favored  13   9  0.36  11  0.59  molprobity  
103  103  m        -100.6   165.2  Favored   9   7  0.15  10  0.44  molprobity  
104  104  tt0       -69.9   126.8  Favored   6   9  0.17  12  0.24  molprobity  
105  105  tttt      -53.7   162.7  Allowed  13   9  0.24  11  0.34  molprobity  
106  106  m-80       34.3    35.0  OUTLIER   6   8  0.30  11  0.35  molprobity  
107  107  OUTLIER  -113.4   145.2  Favored   5   6  0.18   8  0.19  molprobity  
108  108  m120      -91.0   131.5  Favored   6   8  0.22  11  0.29  molprobity  
109  109  mm-40    -129.7   149.3  Favored   8   9  0.22  12  0.25  molprobity  
110  110  tp        -72.3   120.2  Favored  11   8  0.21  11  0.22  molprobity  
111  111  tp        -56.6   156.7  Favored  11   8  0.27  11  0.44  molprobity  
112  112  OUTLIER  -125.2   154.5  Favored   5   6  0.22   8  0.15  molprobity  
113  113  OUTLIER   -70.3   122.6  Favored   8   9  0.20  12  0.33  molprobity  
114  114  ?          61.2    20.6  Favored   3   4  0.35   5  0.31  molprobity  
115  115  t70       -51.1   165.4  Allowed   4   8  0.17  11  0.24  molprobity  
116  116  tt0      -140.5   135.0  Favored   6   9  0.18  12  0.29  molprobity  
117  117  mt       -114.1   127.0  Favored  11   8  0.20  11  0.48  molprobity  
118  118  m        -104.1   140.5  Favored   7   7  0.30  10  0.52  molprobity  
119  119  m        -140.8   158.3  Favored   9   7  0.19  10  0.48  molprobity  
120  120  ?          82.3    36.6  Favored   3   4  0.54   5  0.41  molprobity  
121  121  t         -75.8   140.8  Favored   9   7  0.34  10  0.57  molprobity  
122  122  ?         157.1   -42.9  Allowed   3   4  0.69   5  0.77  molprobity  
123  123  t        -127.0   129.4  Favored   9   7  0.41  10  0.38  molprobity  
124  124  tt0       -50.1   -31.3  Favored   6   9  0.23  12  0.26  molprobity  
125  125  m         -94.1     6.7  Favored   5   6  0.27   8  0.33  molprobity  
126  126  m-20     -125.8    24.0  Favored   4   8  0.52  11  0.43  molprobity  
127  127  mt       -105.5   140.3  Favored  11   8  0.36  11  0.70  molprobity  
128  128  tt       -124.7   134.8  Favored  11   8  0.20  11  0.17  molprobity  
129  129  OUTLIER  -111.6   152.2  Favored   5   6  0.56   8  0.77  molprobity  
130  130  mt       -136.5   140.8  Favored  11   8  0.21  11  0.27  molprobity  
131  131  t        -113.2   133.7  Favored   9   7  0.17  10  0.47  molprobity  
132  132  mt       -105.8   128.8  Favored  11   8  0.42  11  0.43  molprobity  
133  133  OUTLIER  -114.0   120.9  Favored   9  12  0.34  16  0.24  molprobity  
134  134  mt        -84.8   134.3  Favored  11   8  0.28  11  0.48  molprobity  
135  135  OUTLIER   -75.8   113.7  Favored   6   8  0.22  11  0.29  molprobity  
136  136  OUTLIER   -60.8   -38.3  Favored   4   8  0.14  11  0.24  molprobity  
137  137  tttt      -60.1   -46.1  Favored  13   9  0.24  11  0.26  molprobity  
138  138  t80       -60.4   -44.2  Favored   9  12  0.34  16  0.24  molprobity  
139  139  mttt      -59.2   -34.0  Favored  13   9  0.21  11  0.20  molprobity  
140  140  tt0       -60.7   -47.3  Favored   8   9  0.23  12  0.26  molprobity  
141  141  t         -67.2   -46.0  Favored   5   6  0.19   8  0.25  molprobity  
142  142  OUTLIER   -66.4   -35.9  Favored  11   8  0.18  11  0.22  molprobity  
143  143  tt0       -55.5   -41.8  Favored   6   9  0.18  12  0.26  molprobity  
144  144  mt-30     -79.0   -36.4  Favored   8   9  0.21  12  0.28  molprobity  
145  145  p30        42.2    41.2  Allowed   6   8  0.24  11  0.26  molprobity  
146  146  OUTLIER  -122.1   133.0  Favored  13   9  0.22  11  0.21  molprobity  
147  147  t         -64.9   117.7  Favored   9   7  0.15  10  0.46  molprobity  
148  148  m-20      -69.0    71.5  Allowed   4   8  0.13  11  0.25  molprobity  
149  149  mtp85     -99.5    31.0  Favored  13  11  0.18  14  0.29  molprobity  
150  150  tp       -104.2   114.6  Favored  11   8  0.16  11  0.43  molprobity  
151  151  mmt180        ?       ?  ?        13  11  0.48  11  0.36  molprobity  
152  152  OUTLIER       ?       ?  ?        12   9  0.49  11  0.40  molprobity  
153  153  tppt?      63.1   -79.9  OUTLIER  13   9  0.22  11  0.17  molprobity  
154  154  OUTLIER  -178.3    67.6  OUTLIER   9   8  0.21  10  0.27  molprobity  
155  155  p         -68.8    78.2  Allowed   7   7  0.24  10  0.53  molprobity  
156  156  OUTLIER   -52.6    91.2  OUTLIER   9  12  0.33  16  0.27  molprobity  
157  157  mt-30     -49.0   -30.3  Favored   8   8  0.21   9  0.26  molprobity  
158  158  ?             ?       ?  ?         5   8  0.97  10  1.13  mogul       
159  159  Cg_exo    -51.7   138.8  Favored   7   8  0.14  11  0.25  molprobity  
160  160  p         -97.3    27.0  Favored   7   7  0.24  10  0.53  molprobity  
161  161  t0         54.9    96.6  OUTLIER   4   8  0.19  12  0.45  molprobity  
162  162  Cg_endo   -66.5    78.2  Allowed   7   8  0.14  11  0.28  molprobity  
163  163  mt        -70.4   134.1  Favored  11   8  0.19  11  0.23  molprobity  
164  164  OUTLIER       ?       ?  ?         6   9  0.52   9  0.35  molprobity  
#
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    8  O      1  0.46  2.10  
  2   11  O      2  0.62  2.18  
  3   12  O      2  0.62  2.18  
  4   12  HG3    1  0.46  2.10  
  5   12  OE1    3  0.46  2.49  
  6   12  N      3  0.46  2.49  
  7   12  CD     4  0.45  2.69  
  8   13  N      4  0.45  2.69  
  9   19  HA     5  0.54  1.78  
 10   20  HG23   6  0.89  1.45  
 11   20  HG23   7  0.70  2.17  
 12   20  HG11   8  0.58  1.74  
 13   20  CG1    9  0.58  2.28  
 14   20  CG1   10  0.44  2.42  
 15   20  CG2   11  0.47  2.77  
 16   21  SG    12  0.52  2.44  
 17   23  CG2   13  0.54  2.33  
 18   23  HG21  14  0.54  1.64  
 19   23  HG21  15  0.49  2.42  
 20   23  HG23  16  0.52  1.80  
 21   24  HG23  17  0.65  1.67  
 22   26  CG2   18  0.45  2.41  
 23   30  HD13  19  0.68  1.64  
 24   30  HD13  20  0.59  2.28  
 25   30  CD1   21  0.64  2.22  
 26   30  HD12  22  0.53  1.79  
 27   30  CG2   23  0.47  2.39  
 28   31  HD2   23  0.47  2.39  
 29   32  HG12  17  0.65  1.67  
 30   35  HD11  13  0.54  2.33  
 31   35  HD11  16  0.52  1.80  
 32   35  HB3   24  0.43  2.49  
 33   36  HA     6  0.89  1.45  
 34   36  CA     7  0.70  2.17  
 35   36  HB3    5  0.54  1.78  
 36   36  O     25  0.44  2.65  
 37   37  N     11  0.47  2.77  
 38   38  O     26  0.60  1.96  
 39   39  HD13  27  0.69  2.27  
 40   42  HG23  26  0.60  1.96  
 41   42  HG13  28  0.41  1.91  
 42   50  HG2   28  0.41  1.91  
 43   51  CE    25  0.44  2.65  
 44   52  HG13  29  0.50  2.06  
 45   52  HG13  30  0.43  2.34  
 46   52  HG12  31  0.47  1.86  
 47   52  CG1   32  0.42  2.67  
 48   53  CE2   24  0.43  2.49  
 49   53  O     33  0.43  2.66  
 50   53  O     34  0.41  2.16  
 51   54  O     35  0.41  2.53  
 52   54  HG23  36  0.40  1.92  
 53   55  HE2   14  0.54  1.64  
 54   55  CG    37  0.53  2.97  
 55   55  N     38  0.52  2.78  
 56   55  CD1   38  0.52  2.78  
 57   55  CE2   15  0.49  2.42  
 58   55  CZ    39  0.46  2.45  
 59   55  CD2   40  0.46  2.99  
 60   55  CD2   41  0.45  2.46  
 61   55  O     42  0.43  2.52  
 62   56  HA3   43  0.54  2.03  
 63   57  CD    44  0.41  2.69  
 64   58  OD1   45  0.63  1.94  
 65   60  HB3   45  0.63  1.94  
 66   62  N     35  0.41  2.53  
 67   63  CB    40  0.46  2.99  
 68   63  HB2   41  0.45  2.46  
 69   65  HD22  19  0.68  1.64  
 70   65  HD22  21  0.64  2.22  
 71   65  CD2   20  0.59  2.28  
 72   68  HD11  46  0.55  1.77  
 73   68  CD1   47  0.53  2.34  
 74   68  O     44  0.41  2.69  
 75   70  O     48  0.49  2.46  
 76   71  HD21  49  0.45  1.89  
 77   71  CD2   50  0.43  2.43  
 78   73  O     43  0.54  2.03  
 79   74  HB2   51  0.42  1.92  
 80   75  CE1   52  0.50  2.42  
 81   75  CD2   53  0.48  2.97  
 82   75  CD2   54  0.46  2.68  
 83   75  N     42  0.43  2.52  
 84   75  O     55  0.40  2.54  
 85   76  CE2   37  0.53  2.97  
 86   77  HG2   31  0.47  1.86  
 87   77  CG    33  0.43  2.66  
 88   77  HA    34  0.41  2.16  
 89   77  HG3   36  0.40  1.92  
 90   78  O     29  0.50  2.06  
 91   78  O     32  0.42  2.67  
 92   78  HD12  39  0.46  2.45  
 93   78  C     30  0.43  2.34  
 94   78  HD11  56  0.41  1.91  
 95   80  HD22   8  0.58  1.74  
 96   80  HD22   9  0.58  2.28  
 97   80  HD13  10  0.44  2.42  
 98   83  O     57  0.48  2.09  
 99   84  HA2   58  0.46  1.88  
100   86  O     59  0.60  1.96  
101   86  HD22  12  0.52  2.44  
102   87  HD12  59  0.60  1.96  
103   87  HD23  60  0.47  1.86  
104   88  HD21  61  0.72  1.59  
105   88  HD21  62  0.53  2.32  
106   88  CD1   63  0.64  2.23  
107   88  HD11  64  0.48  1.85  
108   90  OD2   65  0.70  1.86  
109   90  CG    66  0.59  2.17  
110   90  O     67  0.46  2.46  
111   90  HB3   68  0.41  1.92  
112   91  HD12  51  0.42  1.92  
113   92  HB3   52  0.50  2.42  
114   92  OG    54  0.46  2.68  
115   92  N     55  0.40  2.54  
116   93  HG22  69  0.51  1.81  
117   93  CG2   70  0.50  2.37  
118   94  ND2   48  0.49  2.46  
119   94  OD1   71  0.42  2.52  
120   94  N     71  0.42  2.52  
121   96  HG22  72  0.43  2.43  
122   96  HB    68  0.41  1.92  
123   96  CG2   73  0.41  2.98  
124   97  CE2   74  0.78  2.13  
125   97  NE1   75  0.45  2.27  
126   98  HD13  76  0.43  2.14  
127   98  HD12  77  0.40  2.36  
128   98  C     77  0.40  2.36  
129  102  HB2   74  0.78  2.13  
130  102  HB2   75  0.45  2.27  
131  103  HG23  65  0.70  1.86  
132  104  O     78  0.42  2.15  
133  105  HA    66  0.59  2.17  
134  106  N     67  0.46  2.46  
135  107  HB2   78  0.42  2.15  
136  108  HB3   60  0.47  1.86  
137  111  HD13  63  0.64  2.23  
138  111  HD13  64  0.48  1.85  
139  111  HD21  79  0.44  1.87  
140  115  OD1   76  0.43  2.14  
141  117  HD11  61  0.72  1.59  
142  117  CD1   62  0.53  2.32  
143  117  CG2   72  0.43  2.43  
144  117  CG2   73  0.41  2.98  
145  117  N     80  0.42  2.51  
146  118  HG22  81  0.53  2.33  
147  118  CG2   82  0.48  2.92  
148  119  CG1   53  0.48  2.97  
149  119  HG23  49  0.45  1.89  
150  119  HG23  50  0.43  2.43  
151  127  CG2   81  0.53  2.33  
152  127  CG2   82  0.48  2.92  
153  128  HD23  83  0.72  1.99  
154  128  HD12  46  0.55  1.77  
155  128  HD12  47  0.53  2.34  
156  129  N     83  0.72  1.99  
157  130  HD21  22  0.53  1.79  
158  130  O     80  0.42  2.51  
159  131  HG21  18  0.45  2.41  
160  132  HD11  56  0.41  1.91  
161  134  HG12  79  0.44  1.87  
162  138  CE2   84  0.41  2.50  
163  141  SG    27  0.69  2.27  
164  142  HD12  57  0.48  2.09  
165  142  HD12  58  0.46  1.88  
166  142  HD23  84  0.41  2.50  
167  150  O     85  0.50  2.07  
168  150  HG23  85  0.50  2.07  
169  156  N     86  0.48  2.80  
170  156  CD1   86  0.48  2.80  
171  160  HG22  69  0.51  1.81  
172  160  HG22  70  0.50  2.37  
#
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  percentiles  "20191225.v01 (using entries in the PDB archive December 25th 2019)"  N  
##
