data_1QP2

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  1QP2
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   nmr
#
_pdbx_vrpt_summary.entry_id                    1QP2
_pdbx_vrpt_summary.PDB_deposition_date         1999-05-29
_pdbx_vrpt_summary.PDB_revision_number         4
_pdbx_vrpt_summary.PDB_revision_date           2024-05-01
_pdbx_vrpt_summary.report_creation_date        2024-04-20:20:00
_pdbx_vrpt_summary.attempted_validation_steps  molprobity,validation-pack,coreclust,chemicalshiftanalysis,percentiles,writepdf,writexml,writecif
_pdbx_vrpt_summary.ligands_for_buster_report   N
#
_pdbx_vrpt_entity.id           1
_pdbx_vrpt_entity.type         polymer
_pdbx_vrpt_entity.description  "PROTEIN (PSAE 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  pdb    
2  nmr  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  38.03  158937  ?     ?     
2  2  1  58.48   12864  ?     ?     
3  1  2  14.13  154571  ?     ?     
4  2  2  59.24   11451  ?     ?     
5  1  3  11.54  154315  ?     ?     
6  2  3  57.27   11428  ?     ?     
#
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  10.08  
2  4  2  A  1  1  A  10.08  
3  5  3  A  1  1  A   7.83  
4  6  3  A  1  1  A   7.83  
#
_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      1.23
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ       1.03
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ   573
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ  772
#
_pdbx_vrpt_summary_geometry.ordinal                                    1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers              1.47
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers_full_length  1.47
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers                   9.68
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers_full_length       9.68
_pdbx_vrpt_summary_geometry.clashscore                                 7.96
_pdbx_vrpt_summary_geometry.clashscore_full_length                     7.96
_pdbx_vrpt_summary_geometry.num_H_reduce                               569
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                             573
_pdbx_vrpt_summary_geometry.bonds_RMSZ                                 1.03
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                            772
_pdbx_vrpt_summary_geometry.angles_RMSZ                                1.23
#
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  MET  A   1  .  ?        ?  
 2  1  1  A   2  VAL  A   2  .  ?        ?  
 3  1  1  A   3  GLN  A   3  .  ?        ?  
 4  1  1  A   4  ARG  A   4  .  ?        ?  
 5  1  1  A   5  GLY  A   5  .  ?        ?  
 6  1  1  A   6  SER  A   6  .  ?        ?  
 7  1  1  A   7  LYS  A   7  .  ?        ?  
 8  1  1  A   8  VAL  A   8  .  ?        ?  
 9  1  1  A   9  ARG  A   9  .  ?        1  
10  1  1  A  10  ILE  A  10  .  ?        1  
11  1  1  A  11  LEU  A  11  .  ?        5  
12  1  1  A  12  ARG  A  12  .  ?        ?  
13  1  1  A  13  PRO  A  13  .  ?        ?  
14  1  1  A  14  GLU  A  14  .  ?        ?  
15  1  1  A  15  SER  A  15  .  ?        ?  
16  1  1  A  16  TYR  A  16  .  ?        ?  
17  1  1  A  17  TRP  A  17  .  ?        3  
18  1  1  A  18  PHE  A  18  .  ?        ?  
19  1  1  A  19  GLN  A  19  .  ?        ?  
20  1  1  A  20  ASP  A  20  .  ?        ?  
21  1  1  A  21  VAL  A  21  .  ?        ?  
22  1  1  A  22  GLY  A  22  .  ?        ?  
23  1  1  A  23  THR  A  23  .  ?        ?  
24  1  1  A  24  VAL  A  24  .  ?        ?  
25  1  1  A  25  ALA  A  25  .  ?        ?  
26  1  1  A  26  SER  A  26  .  ?        1  
27  1  1  A  27  VAL  A  27  .  ?        ?  
28  1  1  A  28  ASP  A  28  .  ?        ?  
29  1  1  A  29  GLN  A  29  .  ?        ?  
30  1  1  A  30  SER  A  30  .  ?        ?  
31  1  1  A  31  GLY  A  31  .  ?        ?  
32  1  1  A  32  ILE  A  32  .  ?        ?  
33  1  1  A  33  LYS  A  33  .  ?        ?  
34  1  1  A  34  TYR  A  34  .  ?        ?  
35  1  1  A  35  PRO  A  35  .  ?        ?  
36  1  1  A  36  VAL  A  36  .  ?        ?  
37  1  1  A  37  ILE  A  37  .  ?        1  
38  1  1  A  38  VAL  A  38  .  ?        ?  
39  1  1  A  39  ARG  A  39  .  ?        ?  
40  1  1  A  40  PHE  A  40  .  ?        3  
41  1  1  A  41  GLU  A  41  .  ?        ?  
42  1  1  A  42  LYS  A  42  .  ?        ?  
43  1  1  A  43  VAL  A  43  .  ?        ?  
44  1  1  A  44  ASN  A  44  .  ?        ?  
45  1  1  A  45  TYR  A  45  .  ?        ?  
46  1  1  A  46  SER  A  46  .  ?        ?  
47  1  1  A  47  GLY  A  47  .  ?        ?  
48  1  1  A  48  ILE  A  55  .  ?        ?  
49  1  1  A  49  ASN  A  56  .  ?        ?  
50  1  1  A  50  THR  A  57  .  ?        ?  
51  1  1  A  51  ASN  A  58  .  ?        ?  
52  1  1  A  52  ASN  A  59  .  ?        ?  
53  1  1  A  53  PHE  A  60  .  ?        2  
54  1  1  A  54  ALA  A  61  .  ?        ?  
55  1  1  A  55  GLU  A  62  .  ?        ?  
56  1  1  A  56  ASP  A  63  .  ?        ?  
57  1  1  A  57  GLU  A  64  .  ?        ?  
58  1  1  A  58  LEU  A  65  .  ?        ?  
59  1  1  A  59  VAL  A  66  .  ?        ?  
60  1  1  A  60  GLU  A  67  .  ?        ?  
61  1  1  A  61  VAL  A  68  .  ?        1  
62  1  1  A  62  GLU  A  69  .  ?        ?  
63  1  1  A  63  ALA  A  70  .  ?        ?  
64  1  1  A  64  PRO  A  71  .  ?        ?  
65  1  1  A  65  LYS  A  72  .  ?        ?  
66  1  1  A  66  ALA  A  73  .  ?        ?  
67  1  1  A  67  LYS  A  74  .  ?        ?  
68  1  1  A  68  PRO  A  75  .  ?        ?  
69  1  1  A  69  LYS  A  76  .  ?        ?  
70  1  1  A  70  LYS  A  77  .  ?        ?  
#
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  ttm           ?       ?  ?        11   8  0.83  10  1.41  molprobity  
 2   2  t         -90.0   100.0  Favored   9   7  0.90  10  1.11  molprobity  
 3   3  OUTLIER  -103.0  -176.1  Favored   8   9  0.91  12  1.18  molprobity  
 4   4  mtp180    -74.9   108.1  Favored  13  11  1.12  14  1.68  molprobity  
 5   5  ?         125.6   -29.9  Favored   3   4  1.53   5  0.77  molprobity  
 6   6  OUTLIER   -69.8   130.8  Favored   5   6  0.94   8  1.32  molprobity  
 7   7  mtmt      -91.3   138.1  Favored  13   9  0.81  11  1.47  molprobity  
 8   8  m        -131.1   155.8  Favored   9   7  0.90  10  1.07  molprobity  
 9   9  mmt180    -78.6   157.0  Favored  13  11  1.12  14  1.66  molprobity  
10  10  mm        -99.3   121.6  Favored  11   8  0.84  11  0.97  molprobity  
11  11  mm?      -109.7    36.4  Favored  11   8  0.85  11  1.10  molprobity  
12  12  ttt180   -110.0    97.9  Favored  13  11  1.12  15  1.62  molprobity  
13  13  Cg_exo    -52.2   -25.5  Favored   7   8  0.71  11  0.37  molprobity  
14  14  mt-10     -76.8   -26.6  Favored   6   9  1.61  12  1.19  molprobity  
15  15  t         -75.5   129.9  Favored   5   6  0.95   8  1.33  molprobity  
16  16  t80       -58.2   -21.7  Favored   9  13  1.00  18  1.26  molprobity  
17  17  m-90      -95.5    37.0  Allowed  10  16  0.92  23  1.63  molprobity  
18  18  t80       -61.2   151.1  Favored   9  12  1.06  16  1.08  molprobity  
19  19  mt-30      52.7    43.3  Favored   8   9  1.02  12  1.12  molprobity  
20  20  OUTLIER  -141.9   145.1  Favored   4   8  1.05  11  1.13  molprobity  
21  21  t         -92.5   123.1  Favored   9   7  0.84  10  1.13  molprobity  
22  22  ?        -111.2  -170.7  Favored   3   4  1.53   5  0.76  molprobity  
23  23  m        -123.3   143.1  Favored   7   7  0.85  10  1.14  molprobity  
24  24  t         -78.8   119.6  Favored   9   7  0.90  10  1.09  molprobity  
25  25  ?         -85.8   -45.5  Favored   5   5  1.01   7  1.43  molprobity  
26  26  OUTLIER  -161.6   162.3  Favored   5   6  0.91   8  1.37  molprobity  
27  27  t        -121.4   120.0  Favored   9   7  0.90  10  1.08  molprobity  
28  28  t70       -97.4   127.6  Favored   4   8  1.05  11  1.14  molprobity  
29  29  tt0      -115.0    82.0  Allowed   8   9  0.91  12  1.18  molprobity  
30  30  m        -144.4   -45.2  Allowed   5   6  0.85   8  1.42  molprobity  
31  31  ?         149.1    83.2  OUTLIER   3   4  1.52   5  0.76  molprobity  
32  32  pt       -136.7   163.2  Favored  11   8  0.82  11  1.01  molprobity  
33  33  ptpt      -59.8   -26.4  Favored  13   9  0.86  11  1.39  molprobity  
34  34  m-85     -138.2    96.3  Favored   9  13  0.97  19  1.25  molprobity  
35  35  Cg_exo    -52.9   -41.8  Favored   7   8  0.69  11  0.39  molprobity  
36  36  t         -95.0   139.8  Favored   9   7  0.90  10  1.09  molprobity  
37  37  mt       -100.8   135.3  Favored  11   8  0.83  11  1.04  molprobity  
38  38  t        -118.9   152.6  Favored   9   7  0.88  10  1.10  molprobity  
39  39  ttm180   -119.0   151.3  Favored  13  11  1.11  14  1.67  molprobity  
40  40  m-85     -130.6   172.9  Favored   9  12  1.07  16  1.09  molprobity  
41  41  mt-10    -110.2   -29.5  Favored   6   9  1.62  12  1.20  molprobity  
42  42  ttmt      -89.4   171.6  Favored  13   9  0.82  11  1.47  molprobity  
43  43  m        -112.7  -172.6  Allowed   9   7  0.91  10  1.06  molprobity  
44  44  p-10     -134.9  -165.4  Allowed   6   8  0.99  11  1.13  molprobity  
45  45  m-85      -64.6   -28.6  Favored   9  13  0.99  18  1.25  molprobity  
46  46  m         -82.0   -28.9  Favored   5   6  0.88   8  1.41  molprobity  
47  47  ?          91.1    53.1  Favored   3   4  1.51   5  0.76  molprobity  
48  48  mt       -112.4   164.2  Favored  11   8  0.82  11  1.03  molprobity  
49  49  p-10     -123.2   -39.4  Favored   6   8  0.98  11  1.14  molprobity  
50  50  p        -120.3   154.3  Favored   7   7  0.85  10  1.15  molprobity  
51  51  m120     -151.5  -170.2  Favored   6   8  0.97  11  1.21  molprobity  
52  52  m120     -129.4   132.6  Favored   6   8  0.95  11  1.21  molprobity  
53  53  m-85     -129.8   159.2  Favored   9  12  1.06  16  1.10  molprobity  
54  54  ?         -87.3   149.1  Favored   5   5  1.00   7  1.42  molprobity  
55  55  pt-20     -60.0   -37.3  Favored   6   9  1.64  12  1.12  molprobity  
56  56  p-10      -62.3   -25.8  Favored   4   8  1.09  11  1.04  molprobity  
57  57  mt-10     -96.6    27.8  Favored   6   9  1.61  12  1.20  molprobity  
58  58  mt       -138.7   140.7  Favored  11   8  0.82  11  1.21  molprobity  
59  59  t        -112.5   141.5  Favored   9   7  0.90  10  1.10  molprobity  
60  60  tt0       -77.8   117.0  Favored   6   9  1.63  12  1.18  molprobity  
61  61  m        -137.0    62.9  Allowed   9   7  0.89  10  1.07  molprobity  
62  62  tt0       -83.9   162.5  Favored   6   9  1.60  12  1.19  molprobity  
63  63  ?         -60.2   111.6  Favored   5   5  1.05   8  1.31  molprobity  
64  64  Cg_exo    -53.1   161.1  Favored   7   8  0.72  11  0.38  molprobity  
65  65  OUTLIER   -82.3   140.8  Favored  13   9  0.82  11  1.45  molprobity  
66  66  ?         -90.0    50.2  Allowed   5   5  1.00   7  1.44  molprobity  
67  67  OUTLIER  -168.0    81.4  Allowed  13   9  0.80  12  1.43  molprobity  
68  68  Cg_exo    -53.0   -63.0  Allowed   7   8  0.70  11  0.38  molprobity  
69  69  tptp     -167.3   122.6  Allowed  13   9  0.81  11  1.47  molprobity  
70  70  mttt          ?       ?  ?        13   9  0.71   8  1.71  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   9  HG2   1  0.57  1.75  
 2  10  C     2  0.47  2.30  
 3  11  HD22  2  0.47  2.30  
 4  11  HD22  3  0.42  2.30  
 5  11  N     3  0.42  2.30  
 6  11  N     4  0.40  2.84  
 7  11  CD2   4  0.40  2.84  
 8  17  CE3   5  0.49  3.00  
 9  17  CE3   6  0.46  3.03  
10  17  CD2   7  0.40  3.10  
11  26  O     8  0.56  2.01  
12  37  HD12  8  0.56  2.01  
13  40  CD2   5  0.49  3.00  
14  40  CD2   7  0.40  3.10  
15  40  CE2   6  0.46  3.03  
16  53  CD1   9  0.43  2.85  
17  53  N     9  0.43  2.85  
18  61  HG21  1  0.57  1.75  
#
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  percentiles  "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
