data_7P3M

loop_
_pdbx_vrpt_database.id
_pdbx_vrpt_database.code
PDB   7P3M   
BMRB  34645  
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   nmr
#
_pdbx_vrpt_summary.entry_id                    7P3M
_pdbx_vrpt_summary.PDB_deposition_date         2021-07-08
_pdbx_vrpt_summary.PDB_revision_number         2
_pdbx_vrpt_summary.PDB_revision_date           2024-03-27
_pdbx_vrpt_summary.report_creation_date        2024-03-20:12:19
_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  "Gag polyprotein"
#
_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   51.99  158937  ?     ?     
2  2  1   64.96   12864  ?     ?     
3  1  2  100.00  154571  ?     ?     
4  2  2  100.00   11451  ?     ?     
5  1  3   49.95  154315  ?     ?     
6  2  3   91.22   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  100.00  
 2  4  2  A   1  1  A  100.00  
 3  5  3  A   1  1  A  100.00  
 4  6  3  A   1  1  A  100.00  
 5  3  2  A   2  1  A  100.00  
 6  4  2  A   2  1  A  100.00  
 7  5  3  A   2  1  A   10.89  
 8  6  3  A   2  1  A   10.89  
 9  3  2  A   3  1  A  100.00  
10  4  2  A   3  1  A  100.00  
11  5  3  A   3  1  A   10.89  
12  6  3  A   3  1  A   10.89  
13  3  2  A   4  1  A  100.00  
14  4  2  A   4  1  A  100.00  
15  5  3  A   4  1  A  100.00  
16  6  3  A   4  1  A  100.00  
17  3  2  A   5  1  A  100.00  
18  4  2  A   5  1  A  100.00  
19  5  3  A   5  1  A  100.00  
20  6  3  A   5  1  A  100.00  
21  3  2  A   6  1  A  100.00  
22  4  2  A   6  1  A  100.00  
23  5  3  A   6  1  A  100.00  
24  6  3  A   6  1  A  100.00  
25  3  2  A   7  1  A  100.00  
26  4  2  A   7  1  A  100.00  
27  5  3  A   7  1  A  100.00  
28  6  3  A   7  1  A  100.00  
29  3  2  A   8  1  A  100.00  
30  4  2  A   8  1  A  100.00  
31  5  3  A   8  1  A  100.00  
32  6  3  A   8  1  A  100.00  
33  3  2  A   9  1  A  100.00  
34  4  2  A   9  1  A  100.00  
35  5  3  A   9  1  A   10.89  
36  6  3  A   9  1  A   10.89  
37  3  2  A  10  1  A  100.00  
38  4  2  A  10  1  A  100.00  
39  5  3  A  10  1  A  100.00  
40  6  3  A  10  1  A  100.00  
#
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  0.38  0.33  108  144  
 2   2  1  A  A  0.34  0.32  108  144  
 3   3  1  A  A  0.37  0.30  108  144  
 4   4  1  A  A  0.38  0.31  108  144  
 5   5  1  A  A  0.37  0.31  108  144  
 6   6  1  A  A  0.36  0.32  108  144  
 7   7  1  A  A  0.34  0.31  108  144  
 8   8  1  A  A  0.37  0.29  108  144  
 9   9  1  A  A  0.38  0.31  108  144  
10  10  1  A  A  0.38  0.32  108  144  
#
_pdbx_vrpt_summary_geometry.ordinal                                    1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers_full_length  0.00
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers                   2.50
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers_full_length       2.50
_pdbx_vrpt_summary_geometry.clashscore                                 5.71
_pdbx_vrpt_summary_geometry.clashscore_full_length                     5.21
_pdbx_vrpt_summary_geometry.num_H_reduce                               1040
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                             1080
_pdbx_vrpt_summary_geometry.bonds_RMSZ                                 0.31
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                            1440
_pdbx_vrpt_summary_geometry.angles_RMSZ                                0.37
#
_pdbx_vrpt_summary_nmr.exp_method                               nmr
_pdbx_vrpt_summary_nmr.ordinal                                  1
_pdbx_vrpt_summary_nmr.nmr_models_consistency_flag              True
_pdbx_vrpt_summary_nmr.nmrclust_representative_model            2
_pdbx_vrpt_summary_nmr.medoid_model                             5
_pdbx_vrpt_summary_nmr.nmrclust_number_of_outliers              2
_pdbx_vrpt_summary_nmr.nmrclust_number_of_models                10
_pdbx_vrpt_summary_nmr.nmrclust_number_of_clusters              2
_pdbx_vrpt_summary_nmr.cyrange_number_of_domains                1
_pdbx_vrpt_summary_nmr.chemical_shift_completeness              51.64
_pdbx_vrpt_summary_nmr.chemical_shift_completeness_full_length  50.28
#
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  GLU  A   1  .  ?        ?  
  2   1  1  A   2  ASP  A   2  .  ?        ?  
  3   1  1  A   3  PRO  A   3  .  ?        1  
  4   1  1  A   4  ALA  A   4  .  ?        1  
  5   1  1  A   5  VAL  A   5  .  ?        ?  
  6   1  1  A   6  ASP  A   6  .  ?        ?  
  7   1  1  A   7  LEU  A   7  .  ?        1  
  8   1  1  A   8  LEU  A   8  .  ?        1  
  9   1  1  A   9  LYS  A   9  .  ?        ?  
 10   1  1  A  10  ASN  A  10  .  ?        ?  
 11   1  1  A  11  TYR  A  11  .  ?        ?  
 12   1  1  A  12  MET  A  12  .  ?        ?  
 13   1  1  A  13  GLN  A  13  .  ?        ?  
 14   2  1  A   1  GLU  A   1  .  ?        ?  
 15   2  1  A   2  ASP  A   2  .  ?        1  
 16   2  1  A   3  PRO  A   3  .  ?        1  
 17   2  1  A   4  ALA  A   4  .  ?        ?  
 18   2  1  A   5  VAL  A   5  .  ?        ?  
 19   2  1  A   6  ASP  A   6  .  ?        ?  
 20   2  1  A   7  LEU  A   7  .  ?        ?  
 21   2  1  A   8  LEU  A   8  .  ?        ?  
 22   2  1  A   9  LYS  A   9  .  ?        ?  
 23   2  1  A  10  ASN  A  10  .  ?        ?  
 24   2  1  A  11  TYR  A  11  .  ?        ?  
 25   2  1  A  12  MET  A  12  .  ?        ?  
 26   2  1  A  13  GLN  A  13  .  ?        ?  
 27   3  1  A   1  GLU  A   1  .  ?        ?  
 28   3  1  A   2  ASP  A   2  .  ?        ?  
 29   3  1  A   3  PRO  A   3  .  ?        ?  
 30   3  1  A   4  ALA  A   4  .  ?        ?  
 31   3  1  A   5  VAL  A   5  .  ?        2  
 32   3  1  A   6  ASP  A   6  .  ?        ?  
 33   3  1  A   7  LEU  A   7  .  ?        ?  
 34   3  1  A   8  LEU  A   8  .  ?        1  
 35   3  1  A   9  LYS  A   9  .  ?        1  
 36   3  1  A  10  ASN  A  10  .  ?        ?  
 37   3  1  A  11  TYR  A  11  .  ?        ?  
 38   3  1  A  12  MET  A  12  .  ?        ?  
 39   3  1  A  13  GLN  A  13  .  ?        ?  
 40   4  1  A   1  GLU  A   1  .  ?        ?  
 41   4  1  A   2  ASP  A   2  .  ?        ?  
 42   4  1  A   3  PRO  A   3  .  ?        ?  
 43   4  1  A   4  ALA  A   4  .  ?        ?  
 44   4  1  A   5  VAL  A   5  .  ?        2  
 45   4  1  A   6  ASP  A   6  .  ?        ?  
 46   4  1  A   7  LEU  A   7  .  ?        ?  
 47   4  1  A   8  LEU  A   8  .  ?        1  
 48   4  1  A   9  LYS  A   9  .  ?        1  
 49   4  1  A  10  ASN  A  10  .  ?        ?  
 50   4  1  A  11  TYR  A  11  .  ?        ?  
 51   4  1  A  12  MET  A  12  .  ?        ?  
 52   4  1  A  13  GLN  A  13  .  ?        ?  
 53   5  1  A   1  GLU  A   1  .  ?        ?  
 54   5  1  A   2  ASP  A   2  .  ?        ?  
 55   5  1  A   3  PRO  A   3  .  ?        ?  
 56   5  1  A   4  ALA  A   4  .  ?        ?  
 57   5  1  A   5  VAL  A   5  .  ?        1  
 58   5  1  A   6  ASP  A   6  .  ?        ?  
 59   5  1  A   7  LEU  A   7  .  ?        ?  
 60   5  1  A   8  LEU  A   8  .  ?        1  
 61   5  1  A   9  LYS  A   9  .  ?        ?  
 62   5  1  A  10  ASN  A  10  .  ?        ?  
 63   5  1  A  11  TYR  A  11  .  ?        ?  
 64   5  1  A  12  MET  A  12  .  ?        ?  
 65   5  1  A  13  GLN  A  13  .  ?        ?  
 66   6  1  A   1  GLU  A   1  .  ?        ?  
 67   6  1  A   2  ASP  A   2  .  ?        ?  
 68   6  1  A   3  PRO  A   3  .  ?        ?  
 69   6  1  A   4  ALA  A   4  .  ?        ?  
 70   6  1  A   5  VAL  A   5  .  ?        2  
 71   6  1  A   6  ASP  A   6  .  ?        ?  
 72   6  1  A   7  LEU  A   7  .  ?        ?  
 73   6  1  A   8  LEU  A   8  .  ?        1  
 74   6  1  A   9  LYS  A   9  .  ?        1  
 75   6  1  A  10  ASN  A  10  .  ?        ?  
 76   6  1  A  11  TYR  A  11  .  ?        ?  
 77   6  1  A  12  MET  A  12  .  ?        ?  
 78   6  1  A  13  GLN  A  13  .  ?        ?  
 79   7  1  A   1  GLU  A   1  .  ?        ?  
 80   7  1  A   2  ASP  A   2  .  ?        ?  
 81   7  1  A   3  PRO  A   3  .  ?        ?  
 82   7  1  A   4  ALA  A   4  .  ?        ?  
 83   7  1  A   5  VAL  A   5  .  ?        ?  
 84   7  1  A   6  ASP  A   6  .  ?        ?  
 85   7  1  A   7  LEU  A   7  .  ?        ?  
 86   7  1  A   8  LEU  A   8  .  ?        ?  
 87   7  1  A   9  LYS  A   9  .  ?        ?  
 88   7  1  A  10  ASN  A  10  .  ?        ?  
 89   7  1  A  11  TYR  A  11  .  ?        ?  
 90   7  1  A  12  MET  A  12  .  ?        ?  
 91   7  1  A  13  GLN  A  13  .  ?        ?  
 92   8  1  A   1  GLU  A   1  .  ?        ?  
 93   8  1  A   2  ASP  A   2  .  ?        ?  
 94   8  1  A   3  PRO  A   3  .  ?        ?  
 95   8  1  A   4  ALA  A   4  .  ?        ?  
 96   8  1  A   5  VAL  A   5  .  ?        1  
 97   8  1  A   6  ASP  A   6  .  ?        ?  
 98   8  1  A   7  LEU  A   7  .  ?        ?  
 99   8  1  A   8  LEU  A   8  .  ?        ?  
100   8  1  A   9  LYS  A   9  .  ?        1  
101   8  1  A  10  ASN  A  10  .  ?        ?  
102   8  1  A  11  TYR  A  11  .  ?        ?  
103   8  1  A  12  MET  A  12  .  ?        ?  
104   8  1  A  13  GLN  A  13  .  ?        ?  
105   9  1  A   1  GLU  A   1  .  ?        ?  
106   9  1  A   2  ASP  A   2  .  ?        ?  
107   9  1  A   3  PRO  A   3  .  ?        ?  
108   9  1  A   4  ALA  A   4  .  ?        ?  
109   9  1  A   5  VAL  A   5  .  ?        ?  
110   9  1  A   6  ASP  A   6  .  ?        ?  
111   9  1  A   7  LEU  A   7  .  ?        ?  
112   9  1  A   8  LEU  A   8  .  ?        ?  
113   9  1  A   9  LYS  A   9  .  ?        ?  
114   9  1  A  10  ASN  A  10  .  ?        ?  
115   9  1  A  11  TYR  A  11  .  ?        ?  
116   9  1  A  12  MET  A  12  .  ?        ?  
117   9  1  A  13  GLN  A  13  .  ?        ?  
118  10  1  A   1  GLU  A   1  .  ?        ?  
119  10  1  A   2  ASP  A   2  .  ?        ?  
120  10  1  A   3  PRO  A   3  .  ?        ?  
121  10  1  A   4  ALA  A   4  .  ?        ?  
122  10  1  A   5  VAL  A   5  .  ?        ?  
123  10  1  A   6  ASP  A   6  .  ?        ?  
124  10  1  A   7  LEU  A   7  .  ?        ?  
125  10  1  A   8  LEU  A   8  .  ?        ?  
126  10  1  A   9  LYS  A   9  .  ?        ?  
127  10  1  A  10  ASN  A  10  .  ?        ?  
128  10  1  A  11  TYR  A  11  .  ?        ?  
129  10  1  A  12  MET  A  12  .  ?        ?  
130  10  1  A  13  GLN  A  13  .  ?        ?  
#
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
_pdbx_vrpt_model_instance_geometry.cyrange_domain_id
_pdbx_vrpt_model_instance_geometry.validate
  1    1  mt-10         ?      ?  ?         8   9  0.43  12  0.44  molprobity     ?  False  
  2    2  m-20     -140.9  164.0  Favored   4   8  0.30  12  0.62  molprobity     ?  False  
  3    3  Cg_endo   -46.7  -36.7  Favored   7   8  0.29  11  0.45  molprobity     ?  False  
  4    4  ?         -61.4  -51.1  Favored   5   5  0.31   7  0.31  molprobity     ?  False  
  5    5  t         -58.4  -33.8  Favored   9   7  0.25  10  0.37  molprobity     1  True   
  6    6  m-20      -71.4  -39.1  Favored   4   8  0.20  11  0.36  molprobity     1  True   
  7    7  mm?       -71.7  -33.6  Favored  11   8  0.25  11  0.15  molprobity     1  True   
  8    8  mt        -57.6  -41.3  Favored  11   8  0.32  11  0.44  molprobity     1  True   
  9    9  mttp      -81.2  -20.7  Favored  13   9  0.32  11  0.42  molprobity     1  True   
 10   10  t30       -74.1  -29.7  Favored   6   8  0.26  11  0.35  molprobity     1  True   
 11   11  m-85      -88.6  -29.6  Favored   9  13  0.34  18  0.22  molprobity     1  True   
 12   12  mmt       -70.0  -48.1  Favored   9   8  0.28  10  0.24  molprobity     1  True   
 13   13  mt-30         ?      ?  ?         8   9  0.54   9  0.39  molprobity     ?  False  
 14   14  OUTLIER       ?      ?  ?         8   9  0.46  12  0.35  molprobity     ?  False  
 15   15  p-10     -140.2  177.3  Favored   4   8  0.38  12  0.56  molprobity     ?  False  
 16   16  Cg_exo    -44.4  -31.2  Favored   7   8  0.32  11  0.30  molprobity     ?  False  
 17   17  ?         -58.0  -29.7  Favored   5   5  0.22   7  0.30  molprobity     ?  False  
 18   18  t         -85.5  -22.6  Favored   9   7  0.22  10  0.38  molprobity     1  True   
 19   19  t70       -84.0  -39.3  Favored   4   8  0.18  11  0.39  molprobity     1  True   
 20   20  mm?       -54.4  -44.8  Favored  11   8  0.24  11  0.14  molprobity     1  True   
 21   21  pp        -63.6  -27.6  Favored  11   8  0.22  11  0.30  molprobity     1  True   
 22   22  mttt      -73.6  -30.6  Favored  13   9  0.23  11  0.37  molprobity     1  True   
 23   23  m-80      -69.9  -30.3  Favored   6   8  0.26  11  0.26  molprobity     1  True   
 24   24  m-85      -86.3  -18.6  Favored   9  13  0.34  18  0.26  molprobity     1  True   
 25   25  mtt       -94.7    7.3  Favored   9   8  0.29  10  0.29  molprobity     1  True   
 26   26  tt0           ?      ?  ?         8   9  0.51   9  0.41  molprobity     ?  False  
 27   27  mm-40         ?      ?  ?         8   9  0.41  12  0.27  molprobity     ?  False  
 28   28  m-20     -124.0  168.4  Favored   4   8  0.22  12  0.50  molprobity     ?  False  
 29   29  Cg_endo   -49.5  -33.9  Favored   7   8  0.28  11  0.40  molprobity     ?  False  
 30   30  ?         -67.8  -35.0  Favored   5   5  0.30   7  0.30  molprobity     ?  False  
 31   31  t         -75.7  -32.1  Favored   9   7  0.19  10  0.41  molprobity     1  True   
 32   32  t70       -55.3  -34.9  Favored   4   8  0.16  11  0.31  molprobity     1  True   
 33   33  mm?       -56.0  -55.0  Favored  11   8  0.18  11  0.18  molprobity     1  True   
 34   34  pp        -71.5  -22.0  Favored  11   8  0.25  11  0.36  molprobity     1  True   
 35   35  mtpp      -75.3  -34.0  Favored  13   9  0.23  11  0.49  molprobity     1  True   
 36   36  OUTLIER   -63.5  -33.0  Favored   6   8  0.34  11  0.45  molprobity     1  True   
 37   37  m-85      -78.0  -20.7  Favored   9  13  0.31  18  0.23  molprobity     1  True   
 38   38  mtp       -83.6  -55.7  Favored   9   8  0.24  10  0.44  molprobity     1  True   
 39   39  mt-30         ?      ?  ?         8   9  0.51   9  0.34  molprobity     ?  False  
 40   40  mm-40         ?      ?  ?         8   9  0.47  12  0.34  molprobity     ?  False  
 41   41  t70      -121.5  151.9  Favored   4   8  0.33  12  0.69  molprobity     ?  False  
 42   42  Cg_exo    -47.4  -17.9  Allowed   7   8  0.19  11  0.26  molprobity     ?  False  
 43   43  ?         -54.0  -35.9  Favored   5   5  0.26   7  0.27  molprobity     ?  False  
 44   44  t         -68.8  -36.6  Favored   9   7  0.24  10  0.45  molprobity     1  True   
 45   45  m-20      -64.7  -38.6  Favored   4   8  0.19  11  0.40  molprobity     1  True   
 46   46  mm?       -64.4  -43.6  Favored  11   8  0.21  11  0.20  molprobity     1  True   
 47   47  pp        -70.7  -25.1  Favored  11   8  0.27  11  0.45  molprobity     1  True   
 48   48  mmtp      -73.1  -35.3  Favored  13   9  0.20  11  0.35  molprobity     1  True   
 49   49  m120      -59.3  -35.8  Favored   6   8  0.25  11  0.35  molprobity     1  True   
 50   50  m-85      -78.8  -25.3  Favored   9  13  0.33  18  0.25  molprobity     1  True   
 51   51  mtp       -79.8  -15.9  Favored   9   8  0.23  10  0.31  molprobity     1  True   
 52   52  tt0           ?      ?  ?         8   9  0.50   9  0.34  molprobity     ?  False  
 53   53  mt-10         ?      ?  ?         8   9  0.43  12  0.29  molprobity     ?  False  
 54   54  p-10     -149.6  174.0  Favored   4   8  0.34  12  0.59  molprobity     ?  False  
 55   55  Cg_exo    -48.2  -20.8  Favored   7   8  0.34  11  0.34  molprobity     ?  False  
 56   56  ?         -52.5  -29.2  Favored   5   5  0.21   7  0.28  molprobity     ?  False  
 57   57  t         -60.3  -38.7  Favored   9   7  0.20  10  0.38  molprobity     1  True   
 58   58  t70       -69.5  -41.3  Favored   4   8  0.20  11  0.40  molprobity     1  True   
 59   59  mm?       -61.3  -45.2  Favored  11   8  0.20  11  0.18  molprobity     1  True   
 60   60  pp        -66.2  -24.5  Favored  11   8  0.25  11  0.38  molprobity     1  True   
 61   61  mtpt      -74.2  -35.9  Favored  13   9  0.27  11  0.33  molprobity     1  True   
 62   62  m-20      -71.2  -29.0  Favored   6   8  0.21  11  0.29  molprobity     1  True   
 63   63  m-85      -71.9  -35.9  Favored   9  13  0.32  18  0.35  molprobity     1  True   
 64   64  ptm       -86.8  -38.2  Favored   9   8  0.18  10  0.50  molprobity     1  True   
 65   65  tt0           ?      ?  ?         8   9  0.56   9  0.28  molprobity     ?  False  
 66   66  tt0           ?      ?  ?         8   9  0.42  12  0.27  molprobity     ?  False  
 67   67  t70      -145.9  154.4  Favored   4   8  0.30  12  0.70  molprobity     ?  False  
 68   68  Cg_exo    -39.3  -36.7  Allowed   7   8  0.24  11  0.22  molprobity     ?  False  
 69   69  ?         -59.7  -35.9  Favored   5   5  0.37   7  0.31  molprobity     ?  False  
 70   70  t         -81.7  -31.4  Favored   9   7  0.26  10  0.36  molprobity     1  True   
 71   71  t70       -62.0  -41.8  Favored   4   8  0.23  11  0.36  molprobity     1  True   
 72   72  mm?       -58.7  -51.0  Favored  11   8  0.24  11  0.17  molprobity     1  True   
 73   73  pp        -69.2  -22.2  Favored  11   8  0.26  11  0.30  molprobity     1  True   
 74   74  mmmt      -73.1  -47.0  Favored  13   9  0.27  11  0.39  molprobity     1  True   
 75   75  m-80      -66.8  -38.3  Favored   6   8  0.27  11  0.25  molprobity     1  True   
 76   76  m-85      -83.0  -16.9  Favored   9  13  0.34  18  0.30  molprobity     1  True   
 77   77  mmt       -93.9  -64.3  Allowed   9   8  0.25  10  0.24  molprobity     1  True   
 78   78  pt20          ?      ?  ?         8   9  0.52   9  0.45  molprobity     ?  False  
 79   79  pt-20         ?      ?  ?         8   9  0.46  12  0.33  molprobity     ?  False  
 80   80  m-20     -130.5  172.7  Favored   4   8  0.23  12  0.57  molprobity     ?  False  
 81   81  Cg_exo    -50.5  -20.8  Favored   7   8  0.24  11  0.30  molprobity     ?  False  
 82   82  ?         -55.9  -24.5  Favored   5   5  0.15   7  0.20  molprobity     ?  False  
 83   83  t         -64.7  -24.1  Favored   9   7  0.26  10  0.37  molprobity     1  True   
 84   84  m-20      -84.6  -35.1  Favored   4   8  0.16  11  0.41  molprobity     1  True   
 85   85  mm?       -63.7  -41.5  Favored  11   8  0.23  11  0.17  molprobity     1  True   
 86   86  pp        -63.8  -18.5  Favored  11   8  0.28  11  0.38  molprobity     1  True   
 87   87  mttp      -84.5  -43.5  Favored  13   9  0.24  11  0.47  molprobity     1  True   
 88   88  t30       -58.9  -39.4  Favored   6   8  0.31  11  0.30  molprobity     1  True   
 89   89  m-85      -74.3  -17.2  Favored   9  13  0.34  18  0.23  molprobity     1  True   
 90   90  mmt       -98.1  -49.5  Favored   9   8  0.25  10  0.21  molprobity     1  True   
 91   91  pt20          ?      ?  ?         8   9  0.49   9  0.28  molprobity     ?  False  
 92   92  mt-10         ?      ?  ?         8   9  0.44  12  0.29  molprobity     ?  False  
 93   93  m-20     -104.0  169.0  Favored   4   8  0.20  12  0.51  molprobity     ?  False  
 94   94  Cg_exo    -56.5  -17.7  Favored   7   8  0.13  11  0.52  molprobity     ?  False  
 95   95  ?         -47.0  -34.2  Favored   5   5  0.10   7  0.29  molprobity     ?  False  
 96   96  t         -56.4  -41.8  Favored   9   7  0.23  10  0.44  molprobity     1  True   
 97   97  m-20      -81.3  -30.6  Favored   4   8  0.22  11  0.31  molprobity     1  True   
 98   98  mm?       -63.4  -49.9  Favored  11   8  0.22  11  0.17  molprobity     1  True   
 99   99  pp        -61.9  -24.5  Favored  11   8  0.27  11  0.37  molprobity     1  True   
100  100  mmtt      -70.0  -36.4  Favored  13   9  0.24  11  0.31  molprobity     1  True   
101  101  t30       -71.0  -37.6  Favored   6   8  0.29  11  0.30  molprobity     1  True   
102  102  m-85      -74.1  -34.5  Favored   9  13  0.34  18  0.21  molprobity     1  True   
103  103  ptm       -78.4  -30.1  Favored   9   8  0.18  10  0.50  molprobity     1  True   
104  104  tt0           ?      ?  ?         8   9  0.49   9  0.39  molprobity     ?  False  
105  105  tt0           ?      ?  ?         8   9  0.44  12  0.29  molprobity     ?  False  
106  106  t70      -118.0  152.3  Favored   4   8  0.33  12  0.68  molprobity     ?  False  
107  107  Cg_exo    -44.9  -15.8  Allowed   7   8  0.24  11  0.32  molprobity     ?  False  
108  108  ?         -41.6  -44.3  Favored   5   5  0.22   7  0.28  molprobity     ?  False  
109  109  t         -75.3  -19.7  Favored   9   7  0.29  10  0.37  molprobity     1  True   
110  110  m-20      -81.8  -41.0  Favored   4   8  0.15  11  0.46  molprobity     1  True   
111  111  mm?       -60.9  -41.4  Favored  11   8  0.22  11  0.19  molprobity     1  True   
112  112  pp        -66.7  -21.7  Favored  11   8  0.28  11  0.41  molprobity     1  True   
113  113  mmtt      -80.0  -29.4  Favored  13   9  0.21  11  0.34  molprobity     1  True   
114  114  OUTLIER   -61.0  -27.8  Favored   6   8  0.31  11  0.37  molprobity     1  True   
115  115  m-85      -83.3  -35.2  Favored   9  13  0.37  18  0.30  molprobity     1  True   
116  116  mmt       -82.7  -45.1  Favored   9   8  0.28  10  0.19  molprobity     1  True   
117  117  tp-100        ?      ?  ?         8   9  0.47   9  0.46  molprobity     ?  False  
118  118  pt-20         ?      ?  ?         8   9  0.44  12  0.35  molprobity     ?  False  
119  119  m-20     -142.9  158.0  Favored   4   8  0.24  12  0.65  molprobity     ?  False  
120  120  Cg_exo    -39.9  -43.2  Favored   7   8  0.27  11  0.27  molprobity     ?  False  
121  121  ?        -104.7  -38.5  Favored   5   5  0.17   7  0.25  molprobity     ?  False  
122  122  t         -61.0  -26.5  Favored   9   7  0.26  10  0.39  molprobity     1  True   
123  123  t70       -79.0  -45.0  Favored   4   8  0.17  11  0.37  molprobity     1  True   
124  124  mm?       -64.4  -45.6  Favored  11   8  0.21  11  0.17  molprobity     1  True   
125  125  pp        -64.0  -24.4  Favored  11   8  0.31  11  0.46  molprobity     1  True   
126  126  tptt      -75.0  -39.6  Favored  13   9  0.46  11  0.44  molprobity     1  True   
127  127  m120      -62.4  -39.9  Favored   6   8  0.26  11  0.44  molprobity     1  True   
128  128  m-85      -70.7  -17.4  Favored   9  13  0.29  18  0.25  molprobity     1  True   
129  129  mmt      -100.4   -0.9  Favored   9   8  0.26  10  0.22  molprobity     1  True   
130  130  tp60          ?      ?  ?         8   9  0.49   9  0.34  molprobity     ?  False  
#
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    3  O      1  0.45  2.12  
 2    4  O      2  0.61  1.94  
 3    7  HD23   1  0.45  2.12  
 4    8  HG     2  0.61  1.94  
 5   15  HB2    3  0.41  1.93  
 6   16  HD2    3  0.41  1.93  
 7   31  O      4  0.43  2.13  
 8   31  O      5  0.42  2.14  
 9   34  HG     5  0.42  2.14  
10   35  HG3    4  0.43  2.13  
11   44  O      6  0.47  2.09  
12   44  O      7  0.40  2.17  
13   47  HG     6  0.47  2.09  
14   48  HG2    7  0.40  2.17  
15   57  O      8  0.41  2.16  
16   60  HG     8  0.41  2.16  
17   70  O      9  0.53  2.03  
18   70  O     10  0.44  2.11  
19   73  HG    10  0.44  2.11  
20   74  HG2    9  0.53  2.03  
21   96  O     11  0.43  2.13  
22  100  HG2   11  0.43  2.13  
#
loop_
_pdbx_vrpt_model_list.PDB_model_num
_pdbx_vrpt_model_list.nmrclust_cluster_id
_pdbx_vrpt_model_list.nmrclust_representative
 1  2        ?     
 2  1        True  
 3  outlier  ?     
 4  1        ?     
 5  1        ?     
 6  outlier  ?     
 7  2        True  
 8  1        ?     
 9  1        ?     
10  1        ?     
#
_pdbx_vrpt_cyrange_domain.ordinal             1
_pdbx_vrpt_cyrange_domain.domain              1
_pdbx_vrpt_cyrange_domain.number_of_gaps      0
_pdbx_vrpt_cyrange_domain.number_of_residues  8
_pdbx_vrpt_cyrange_domain.percentage_of_core  100.00
_pdbx_vrpt_cyrange_domain.rmsd                0.200
_pdbx_vrpt_cyrange_domain.medoid_model        5
_pdbx_vrpt_cyrange_domain.medoid_rmsd         0.243
_pdbx_vrpt_cyrange_domain.residue_string      A:5-A:12
#
_pdbx_vrpt_chemical_shift_list.ordinal                           1
_pdbx_vrpt_chemical_shift_list.file_id                           2
_pdbx_vrpt_chemical_shift_list.file_name                         working_cs.cif
_pdbx_vrpt_chemical_shift_list.block_name                        starch_output
_pdbx_vrpt_chemical_shift_list.list_id                           1
_pdbx_vrpt_chemical_shift_list.type                              full
_pdbx_vrpt_chemical_shift_list.number_of_errors_while_mapping    0
_pdbx_vrpt_chemical_shift_list.number_of_warnings_while_mapping  0
_pdbx_vrpt_chemical_shift_list.number_of_mapped_shifts           90
_pdbx_vrpt_chemical_shift_list.number_of_parsed_shifts           90
_pdbx_vrpt_chemical_shift_list.total_number_of_shifts            90
_pdbx_vrpt_chemical_shift_list.number_of_unparsed_shifts         0
#
loop_
_pdbx_vrpt_random_coil_index.ordinal
_pdbx_vrpt_random_coil_index.auth_asym_id
_pdbx_vrpt_random_coil_index.rescode
_pdbx_vrpt_random_coil_index.auth_seq_id
_pdbx_vrpt_random_coil_index.value
 1  A  GLU   1  0.064  
 2  A  ASP   2  0.059  
 3  A  PRO   3  0.044  
 4  A  ALA   4  0.029  
 5  A  VAL   5  0.017  
 6  A  ASP   6  0.016  
 7  A  LEU   7  0.018  
 8  A  LEU   8  0.020  
 9  A  LYS   9  0.021  
10  A  ASN  10  0.023  
11  A  TYR  11  0.027  
12  A  MET  12  0.031  
13  A  GLN  13  0.032  
#
loop_
_pdbx_vrpt_referencing_offset.ordinal
_pdbx_vrpt_referencing_offset.label_atom_id
_pdbx_vrpt_referencing_offset.uncertainty
_pdbx_vrpt_referencing_offset.precision
_pdbx_vrpt_referencing_offset.value
_pdbx_vrpt_referencing_offset.number_of_measurements
1  C   0.50  0.00  0.00  0  
2  CA  0.50  0.00  0.00  0  
3  CB  0.50  0.00  0.00  0  
4  N   0.50  0.00  0.00  0  
#
loop_
_pdbx_vrpt_assign_completeness_well_defined.ordinal
_pdbx_vrpt_assign_completeness_well_defined.number_of_assigned_shifts
_pdbx_vrpt_assign_completeness_well_defined.number_of_unassigned_shifts
_pdbx_vrpt_assign_completeness_well_defined.number_of_shifts
_pdbx_vrpt_assign_completeness_well_defined.type
_pdbx_vrpt_assign_completeness_well_defined.element
 1   0   3    3  stereomethyl  stereomethyl  
 2  63  59  122  overall       Total         
 3  16  24   40  backbone      Total         
 4  43  30   73  sidechain     Total         
 5   4   5    9  aromatic      Total         
 6  63   5   68  overall       H             
 7  16   0   16  backbone      H             
 8  43   5   48  sidechain     H             
 9   4   0    4  aromatic      H             
10   0  44   44  overall       C             
11   0  16   16  backbone      C             
12   0  23   23  sidechain     C             
13   0   5    5  aromatic      C             
14   0  10   10  overall       N             
15   0   8    8  backbone      N             
16   0   2    2  sidechain     N             
#
loop_
_pdbx_vrpt_assign_completeness_full_length.ordinal
_pdbx_vrpt_assign_completeness_full_length.number_of_assigned_shifts
_pdbx_vrpt_assign_completeness_full_length.number_of_unassigned_shifts
_pdbx_vrpt_assign_completeness_full_length.number_of_shifts
_pdbx_vrpt_assign_completeness_full_length.type
_pdbx_vrpt_assign_completeness_full_length.element
 1   0   3    3  stereomethyl  stereomethyl  
 2  90  89  179  overall       Total         
 3  24  39   63  backbone      Total         
 4  62  45  107  sidechain     Total         
 5   4   5    9  aromatic      Total         
 6  90   8   98  overall       H             
 7  24   1   25  backbone      H             
 8  62   7   69  sidechain     H             
 9   4   0    4  aromatic      H             
10   0  66   66  overall       C             
11   0  26   26  backbone      C             
12   0  35   35  sidechain     C             
13   0   5    5  aromatic      C             
14   0  15   15  overall       N             
15   0  12   12  backbone      N             
16   0   3    3  sidechain     N             
#
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  coreclust              2.36                                                                  Y  
3  chemicalshiftanalysis  2.36                                                                  Y  
4  panav                  "Wang et al. (2010)"                                                  Y  
5  rci                    "v_1n_11_5_13_A (Berjanski et al., 2005)"                             Y  
6  percentiles            "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
