data_2M6D

loop_
_pdbx_vrpt_database.id
_pdbx_vrpt_database.code
PDB   2M6D   
BMRB  19129  
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   nmr
#
_pdbx_vrpt_summary.entry_id                    2M6D
_pdbx_vrpt_summary.PDB_deposition_date         2013-03-28
_pdbx_vrpt_summary.PDB_revision_number         3
_pdbx_vrpt_summary.PDB_revision_date           2023-06-14
_pdbx_vrpt_summary.report_creation_date        2023-06-05:23:54
_pdbx_vrpt_summary.attempted_validation_steps  molprobity,validation-pack,coreclust,chemicalshiftanalysis,restraintsanalysis,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  Contryphan-In
#
_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   99.94  158937  ?     ?     
2  2  1  100.00   12864  ?     ?     
3  1  2  100.00  154571  ?     ?     
4  2  2  100.00   11451  ?     ?     
5  1  3    8.58  154315  ?     ?     
6  2  3   51.67   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  100.00  
 8  6  3  A   2  1  A  100.00  
 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  100.00  
12  6  3  A   3  1  A  100.00  
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    1.91  
16  6  3  A   4  1  A    1.91  
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    1.91  
20  6  3  A   5  1  A    1.91  
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    1.91  
24  6  3  A   6  1  A    1.91  
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    1.91  
28  6  3  A   7  1  A    1.91  
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    1.91  
32  6  3  A   8  1  A    1.91  
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    1.91  
36  6  3  A   9  1  A    1.91  
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    1.91  
40  6  3  A  10  1  A    1.91  
#
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  0.32  0.18  58  78  
 2   2  1  A  A  0.32  0.18  58  78  
 3   3  1  A  A  0.33  0.18  58  78  
 4   4  1  A  A  0.33  0.18  58  78  
 5   5  1  A  A  0.33  0.18  58  78  
 6   6  1  A  A  0.33  0.18  58  78  
 7   7  1  A  A  0.33  0.18  58  78  
 8   8  1  A  A  0.33  0.18  58  78  
 9   9  1  A  A  0.33  0.18  58  78  
10  10  1  A  A  0.32  0.18  58  78  
#
_pdbx_vrpt_summary_geometry.ordinal                                    1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers_full_length  0.00
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers                   11.67
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers_full_length       11.67
_pdbx_vrpt_summary_geometry.clashscore_full_length                     0.00
_pdbx_vrpt_summary_geometry.num_H_reduce                               580
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                             580
_pdbx_vrpt_summary_geometry.bonds_RMSZ                                 0.18
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                            780
_pdbx_vrpt_summary_geometry.angles_RMSZ                                0.33
#
_pdbx_vrpt_summary_nmr.exp_method                               nmr
_pdbx_vrpt_summary_nmr.ordinal                                  1
_pdbx_vrpt_summary_nmr.chemical_shift_completeness              46.51
_pdbx_vrpt_summary_nmr.chemical_shift_completeness_full_length  46.51
#
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
 1   1  1  A  1  GLY  A  1  .  ?     
 2   1  1  A  2  CYS  A  2  .  ?     
 3   1  1  A  3  VAL  A  3  .  ?     
 4   1  1  A  4  DLE  A  4  .  ?     
 5   1  1  A  5  TYR  A  5  .  ?     
 6   1  1  A  6  PRO  A  6  .  ?     
 7   1  1  A  7  TRP  A  7  .  ?     
 8   1  1  A  8  CYS  A  8  .  ?     
 9   2  1  A  1  GLY  A  1  .  ?     
10   2  1  A  2  CYS  A  2  .  ?     
11   2  1  A  3  VAL  A  3  .  ?     
12   2  1  A  4  DLE  A  4  .  ?     
13   2  1  A  5  TYR  A  5  .  ?     
14   2  1  A  6  PRO  A  6  .  ?     
15   2  1  A  7  TRP  A  7  .  ?     
16   2  1  A  8  CYS  A  8  .  ?     
17   3  1  A  1  GLY  A  1  .  ?     
18   3  1  A  2  CYS  A  2  .  ?     
19   3  1  A  3  VAL  A  3  .  ?     
20   3  1  A  4  DLE  A  4  .  ?     
21   3  1  A  5  TYR  A  5  .  ?     
22   3  1  A  6  PRO  A  6  .  ?     
23   3  1  A  7  TRP  A  7  .  ?     
24   3  1  A  8  CYS  A  8  .  ?     
25   4  1  A  1  GLY  A  1  .  ?     
26   4  1  A  2  CYS  A  2  .  ?     
27   4  1  A  3  VAL  A  3  .  ?     
28   4  1  A  4  DLE  A  4  .  ?     
29   4  1  A  5  TYR  A  5  .  ?     
30   4  1  A  6  PRO  A  6  .  ?     
31   4  1  A  7  TRP  A  7  .  ?     
32   4  1  A  8  CYS  A  8  .  ?     
33   5  1  A  1  GLY  A  1  .  ?     
34   5  1  A  2  CYS  A  2  .  ?     
35   5  1  A  3  VAL  A  3  .  ?     
36   5  1  A  4  DLE  A  4  .  ?     
37   5  1  A  5  TYR  A  5  .  ?     
38   5  1  A  6  PRO  A  6  .  ?     
39   5  1  A  7  TRP  A  7  .  ?     
40   5  1  A  8  CYS  A  8  .  ?     
41   6  1  A  1  GLY  A  1  .  ?     
42   6  1  A  2  CYS  A  2  .  ?     
43   6  1  A  3  VAL  A  3  .  ?     
44   6  1  A  4  DLE  A  4  .  ?     
45   6  1  A  5  TYR  A  5  .  ?     
46   6  1  A  6  PRO  A  6  .  ?     
47   6  1  A  7  TRP  A  7  .  ?     
48   6  1  A  8  CYS  A  8  .  ?     
49   7  1  A  1  GLY  A  1  .  ?     
50   7  1  A  2  CYS  A  2  .  ?     
51   7  1  A  3  VAL  A  3  .  ?     
52   7  1  A  4  DLE  A  4  .  ?     
53   7  1  A  5  TYR  A  5  .  ?     
54   7  1  A  6  PRO  A  6  .  ?     
55   7  1  A  7  TRP  A  7  .  ?     
56   7  1  A  8  CYS  A  8  .  ?     
57   8  1  A  1  GLY  A  1  .  ?     
58   8  1  A  2  CYS  A  2  .  ?     
59   8  1  A  3  VAL  A  3  .  ?     
60   8  1  A  4  DLE  A  4  .  ?     
61   8  1  A  5  TYR  A  5  .  ?     
62   8  1  A  6  PRO  A  6  .  ?     
63   8  1  A  7  TRP  A  7  .  ?     
64   8  1  A  8  CYS  A  8  .  ?     
65   9  1  A  1  GLY  A  1  .  ?     
66   9  1  A  2  CYS  A  2  .  ?     
67   9  1  A  3  VAL  A  3  .  ?     
68   9  1  A  4  DLE  A  4  .  ?     
69   9  1  A  5  TYR  A  5  .  ?     
70   9  1  A  6  PRO  A  6  .  ?     
71   9  1  A  7  TRP  A  7  .  ?     
72   9  1  A  8  CYS  A  8  .  ?     
73  10  1  A  1  GLY  A  1  .  ?     
74  10  1  A  2  CYS  A  2  .  ?     
75  10  1  A  3  VAL  A  3  .  ?     
76  10  1  A  4  DLE  A  4  .  ?     
77  10  1  A  5  TYR  A  5  .  ?     
78  10  1  A  6  PRO  A  6  .  ?     
79  10  1  A  7  TRP  A  7  .  ?     
80  10  1  A  8  CYS  A  8  .  ?     
#
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  ?             ?      ?  ?         5     4  0.25     5  0.20  molprobity  
 2   2  m        -121.2  122.0  Favored   4     6  0.17     8  0.25  molprobity  
 3   3  m         -55.0  119.5  Allowed   9     6  0.10     7  0.51  molprobity  
 4   4  ?             ?      ?  ?        10     ?     ?     ?     ?  ?           
 5   5  m-85     -116.3   75.0  Favored   9    13  0.25    19  0.45  molprobity  
 6   6  Cg_endo   -69.8   -9.0  Favored   7     8  0.14    11  0.28  molprobity  
 7   7  p90       -90.0  -12.9  Favored  10    16  0.15    23  0.17  molprobity  
 8   8  p             ?      ?  ?         4     5  0.16     5  0.20  molprobity  
 9   9  ?             ?      ?  ?         5     4  0.22     5  0.23  molprobity  
10  10  m        -109.0  121.9  Favored   4     6  0.17     8  0.24  molprobity  
11  11  m         -54.9  119.5  Allowed   9     6  0.10     7  0.51  molprobity  
12  12  ?             ?      ?  ?        10     ?     ?     ?     ?  ?           
13  13  m-85     -116.1   75.0  Favored   9    13  0.24    19  0.45  molprobity  
14  14  Cg_endo   -69.8   -9.0  Favored   7     8  0.16    11  0.27  molprobity  
15  15  p90       -90.0  -12.9  Favored  10    16  0.15    23  0.17  molprobity  
16  16  p             ?      ?  ?         4     5  0.15     5  0.20  molprobity  
17  17  ?             ?      ?  ?         5     4  0.22     5  0.22  molprobity  
18  18  m        -137.1  121.9  Favored   4     6  0.18     8  0.24  molprobity  
19  19  m         -54.9  119.6  Allowed   9     6  0.10     7  0.51  molprobity  
20  20  ?             ?      ?  ?        10     ?     ?     ?     ?  ?           
21  21  m-85     -116.2   75.0  Favored   9    13  0.24    19  0.46  molprobity  
22  22  Cg_endo   -69.8   -9.0  Favored   7     8  0.16    11  0.28  molprobity  
23  23  p90       -90.0  -12.9  Favored  10    16  0.14    23  0.18  molprobity  
24  24  p             ?      ?  ?         4     5  0.15     5  0.20  molprobity  
25  25  ?             ?      ?  ?         5     4  0.22     5  0.22  molprobity  
26  26  m        -110.3   99.9  Favored   4     6  0.18     8  0.24  molprobity  
27  27  m         -57.0  119.5  Favored   9     6  0.10     7  0.51  molprobity  
28  28  ?             ?      ?  ?        10     ?     ?     ?     ?  ?           
29  29  m-85     -113.0   76.5  Favored   9    13  0.24    19  0.46  molprobity  
30  30  Cg_endo   -69.7   -9.0  Favored   7     8  0.15    11  0.28  molprobity  
31  31  p90       -89.8    0.3  Favored  10    16  0.16    23  0.18  molprobity  
32  32  OUTLIER       ?      ?  ?         4     5  0.15     5  0.20  molprobity  
33  33  ?             ?      ?  ?         5     4  0.23     5  0.21  molprobity  
34  34  m        -108.9   99.9  Favored   4     6  0.18     8  0.25  molprobity  
35  35  m         -57.1  119.6  Favored   9     6  0.10     7  0.51  molprobity  
36  36  ?             ?      ?  ?        10     ?     ?     ?     ?  ?           
37  37  m-85     -113.0   76.6  Favored   9    13  0.22    19  0.46  molprobity  
38  38  Cg_endo   -69.8   -9.0  Favored   7     8  0.15    11  0.28  molprobity  
39  39  p90       -89.8    0.2  Favored  10    16  0.16    23  0.18  molprobity  
40  40  OUTLIER       ?      ?  ?         4     5  0.16     5  0.19  molprobity  
41  41  ?             ?      ?  ?         5     4  0.23     5  0.21  molprobity  
42  42  m        -105.7   99.4  Favored   4     6  0.18     8  0.24  molprobity  
43  43  m         -57.1  119.5  Favored   9     6  0.11     7  0.51  molprobity  
44  44  ?             ?      ?  ?        10     ?     ?     ?     ?  ?           
45  45  m-85     -112.9   76.5  Favored   9    13  0.24    19  0.46  molprobity  
46  46  Cg_endo   -69.7   -9.1  Favored   7     8  0.15    11  0.27  molprobity  
47  47  p90       -89.8    0.2  Favored  10    16  0.15    23  0.19  molprobity  
48  48  OUTLIER       ?      ?  ?         4     5  0.16     5  0.20  molprobity  
49  49  ?             ?      ?  ?         5     4  0.23     5  0.23  molprobity  
50  50  m         -90.6  100.1  Favored   4     6  0.18     8  0.25  molprobity  
51  51  m         -56.9  119.5  Favored   9     6  0.10     7  0.51  molprobity  
52  52  ?             ?      ?  ?        10     ?     ?     ?     ?  ?           
53  53  m-85     -113.0   76.5  Favored   9    13  0.25    19  0.46  molprobity  
54  54  Cg_endo   -69.7   -9.0  Favored   7     8  0.16    11  0.28  molprobity  
55  55  p90       -89.8    0.4  Favored  10    16  0.15    23  0.18  molprobity  
56  56  OUTLIER       ?      ?  ?         4     5  0.13     5  0.20  molprobity  
57  57  ?             ?      ?  ?         5     4  0.24     5  0.22  molprobity  
58  58  m        -134.3   85.5  Favored   4     6  0.18     8  0.25  molprobity  
59  59  m         -57.4  120.0  Favored   9     6  0.10     7  0.51  molprobity  
60  60  ?             ?      ?  ?        10     ?     ?     ?     ?  ?           
61  61  m-85     -112.9   76.8  Favored   9    13  0.24    19  0.46  molprobity  
62  62  Cg_endo   -69.8   -9.0  Favored   7     8  0.15    11  0.27  molprobity  
63  63  p90       -89.8    0.5  Favored  10    16  0.16    23  0.18  molprobity  
64  64  OUTLIER       ?      ?  ?         4     5  0.15     5  0.19  molprobity  
65  65  ?             ?      ?  ?         5     4  0.24     5  0.22  molprobity  
66  66  m        -134.2   84.9  Favored   4     6  0.17     8  0.25  molprobity  
67  67  m         -57.5  119.9  Favored   9     6  0.10     7  0.52  molprobity  
68  68  ?             ?      ?  ?        10     ?     ?     ?     ?  ?           
69  69  m-85     -112.9   76.7  Favored   9    13  0.22    19  0.46  molprobity  
70  70  Cg_endo   -69.7   -9.1  Favored   7     8  0.17    11  0.27  molprobity  
71  71  p90       -89.8    0.4  Favored  10    16  0.15    23  0.18  molprobity  
72  72  OUTLIER       ?      ?  ?         4     5  0.15     5  0.20  molprobity  
73  73  ?             ?      ?  ?         5     4  0.22     5  0.21  molprobity  
74  74  m        -111.2   89.7  Favored   4     6  0.19     8  0.24  molprobity  
75  75  m         -54.0  121.9  Favored   9     6  0.10     7  0.51  molprobity  
76  76  ?             ?      ?  ?        10     ?     ?     ?     ?  ?           
77  77  m-85     -112.7   77.1  Favored   9    13  0.24    19  0.46  molprobity  
78  78  Cg_endo   -69.7   -9.0  Favored   7     8  0.16    11  0.27  molprobity  
79  79  p90       -89.8    0.9  Favored  10    16  0.15    23  0.17  molprobity  
80  80  OUTLIER       ?      ?  ?         4     5  0.16     5  0.20  molprobity  
#
_pdbx_vrpt_chemical_shift_list.ordinal                           1
_pdbx_vrpt_chemical_shift_list.file_id                           4
_pdbx_vrpt_chemical_shift_list.file_name                         working_cs.cif
_pdbx_vrpt_chemical_shift_list.block_name                        assigned_chem_shift_list_1
_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           48
_pdbx_vrpt_chemical_shift_list.number_of_parsed_shifts           48
_pdbx_vrpt_chemical_shift_list.total_number_of_shifts            48
_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  VAL  3  0.297  
2  A  TYR  5  0.219  
3  A  PRO  6  0.159  
4  A  TRP  7  0.115  
5  A  CYS  8  0.099  
#
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  1  
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   1   1  stereomethyl  stereomethyl  
 2  40  46  86  overall       Total         
 3   9  25  34  backbone      Total         
 4  18  13  31  sidechain     Total         
 5  13   8  21  aromatic      Total         
 6  33  12  45  overall       H             
 7   9   5  14  backbone      H             
 8  16   5  21  sidechain     H             
 9   8   2  10  aromatic      H             
10   7  27  34  overall       C             
11   0  14  14  backbone      C             
12   2   8  10  sidechain     C             
13   5   5  10  aromatic      C             
14   0   7   7  overall       N             
15   0   6   6  backbone      N             
16   0   1   1  aromatic      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   1   1  stereomethyl  stereomethyl  
 2  40  46  86  overall       Total         
 3   9  25  34  backbone      Total         
 4  18  13  31  sidechain     Total         
 5  13   8  21  aromatic      Total         
 6  33  12  45  overall       H             
 7   9   5  14  backbone      H             
 8  16   5  21  sidechain     H             
 9   8   2  10  aromatic      H             
10   7  27  34  overall       C             
11   0  14  14  backbone      C             
12   2   8  10  sidechain     C             
13   5   5  10  aromatic      C             
14   0   7   7  overall       N             
15   0   6   6  backbone      N             
16   0   1   1  aromatic      N             
#
loop_
_pdbx_vrpt_restraint_summary.ordinal
_pdbx_vrpt_restraint_summary.description
_pdbx_vrpt_restraint_summary.value
 1  "Total distance restraints"                     34  
 2  "Intra-residue (|i-j|=0)"                       10  
 3  "Sequential (|i-j|=1)"                          16  
 4  "Medium range (|i-j|>1 and |i-j|<5)"             1  
 5  "Long range (|i-j|>=5)"                          1  
 6  Inter-chain                                      0  
 7  "Total hydrogen bond restraints"                 3  
 8  "Total disulfide bond restraints"                0  
 9  "Total dihedral-angle restraints"                0  
10  "Number of unmapped restraints"                  0  
11  "Number of restraints per residue"             4.2  
12  "Number of long range restraints per residue"  0.5  
#
loop_
_pdbx_vrpt_distance_violation_summary.ordinal
_pdbx_vrpt_distance_violation_summary.restraint_type
_pdbx_vrpt_distance_violation_summary.restraint_sub_type
_pdbx_vrpt_distance_violation_summary.restraints_count
_pdbx_vrpt_distance_violation_summary.percent_total
_pdbx_vrpt_distance_violation_summary.consistently_violated_count
_pdbx_vrpt_distance_violation_summary.consistently_violated_percent_total
_pdbx_vrpt_distance_violation_summary.consistently_violated_percent_type
_pdbx_vrpt_distance_violation_summary.violated_count
_pdbx_vrpt_distance_violation_summary.violated_percent_total
_pdbx_vrpt_distance_violation_summary.violated_percent_type
 1  Intra-residue  all                 10   29.4  0  0.0    0.0  1  2.9   10.0  
 2  Intra-residue  BackboneBackbone     3    8.8  0  0.0    0.0  0  0.0    0.0  
 3  Intra-residue  BackboneSidechain    6   17.6  0  0.0    0.0  1  2.9   16.7  
 4  Intra-residue  SidechainSidechain   1    2.9  0  0.0    0.0  0  0.0    0.0  
 5  Sequential     all                 16   47.1  0  0.0    0.0  0  0.0    0.0  
 6  Sequential     BackboneBackbone     6   17.6  0  0.0    0.0  0  0.0    0.0  
 7  Sequential     BackboneSidechain    7   20.6  0  0.0    0.0  0  0.0    0.0  
 8  Sequential     SidechainSidechain   3    8.8  0  0.0    0.0  0  0.0    0.0  
 9  MediumRange    all                  1    2.9  0  0.0    0.0  0  0.0    0.0  
10  MediumRange    BackboneBackbone     0    0.0  0  0.0    0.0  0  0.0    0.0  
11  MediumRange    BackboneSidechain    1    2.9  0  0.0    0.0  0  0.0    0.0  
12  MediumRange    SidechainSidechain   0    0.0  0  0.0    0.0  0  0.0    0.0  
13  LongRange      all                  1    2.9  1  2.9  100.0  1  2.9  100.0  
14  LongRange      BackboneBackbone     0    0.0  0  0.0    0.0  0  0.0    0.0  
15  LongRange      BackboneSidechain    0    0.0  0  0.0    0.0  0  0.0    0.0  
16  LongRange      SidechainSidechain   1    2.9  1  2.9  100.0  1  2.9  100.0  
17  InterChain     all                  0    0.0  0  0.0    0.0  0  0.0    0.0  
18  InterChain     BackboneBackbone     0    0.0  0  0.0    0.0  0  0.0    0.0  
19  InterChain     BackboneSidechain    0    0.0  0  0.0    0.0  0  0.0    0.0  
20  InterChain     SidechainSidechain   0    0.0  0  0.0    0.0  0  0.0    0.0  
21  HydrogenBond   all                  3    8.8  0  0.0    0.0  0  0.0    0.0  
22  DisulfideBond  all                  3    8.8  0  0.0    0.0  0  0.0    0.0  
23  Total          all                 34  100.0  1  2.9    2.9  2  5.9    5.9  
24  Total          BackboneBackbone     9   26.5  0  0.0    0.0  0  0.0    0.0  
25  Total          BackboneSidechain   14   41.2  0  0.0    0.0  1  2.9    7.1  
26  Total          SidechainSidechain   5   14.7  1  2.9   20.0  1  2.9   20.0  
#
loop_
_pdbx_vrpt_distance_violation_model_summary.ordinal
_pdbx_vrpt_distance_violation_model_summary.PDB_model_num
_pdbx_vrpt_distance_violation_model_summary.max_violation
_pdbx_vrpt_distance_violation_model_summary.mean_violation
_pdbx_vrpt_distance_violation_model_summary.median_violation
_pdbx_vrpt_distance_violation_model_summary.standard_deviation
 1   1  0.65  0.65  0.65  0.00  
 2   2  0.65  0.65  0.65  0.00  
 3   3  0.65  0.65  0.65  0.00  
 4   4  0.87  0.87  0.87  0.00  
 5   5  0.87  0.87  0.87  0.00  
 6   6  0.88  0.88  0.88  0.00  
 7   7  0.87  0.87  0.87  0.00  
 8   8  1.07  1.07  1.07  0.00  
 9   9  1.07  1.07  1.07  0.00  
10  10  0.94  0.52  0.52  0.42  
#
loop_
_pdbx_vrpt_distance_violation_model_restraints.ordinal
_pdbx_vrpt_distance_violation_model_restraints.PDB_model_num
_pdbx_vrpt_distance_violation_model_restraints.dist_rest_type
_pdbx_vrpt_distance_violation_model_restraints.violations_count
 1   1  intraresidue  0  
 2   1  sequential    0  
 3   1  medium        0  
 4   1  long          1  
 5   1  interchain    0  
 6   1  total         1  
 7   2  intraresidue  0  
 8   2  sequential    0  
 9   2  medium        0  
10   2  long          1  
11   2  interchain    0  
12   2  total         1  
13   3  intraresidue  0  
14   3  sequential    0  
15   3  medium        0  
16   3  long          1  
17   3  interchain    0  
18   3  total         1  
19   4  intraresidue  0  
20   4  sequential    0  
21   4  medium        0  
22   4  long          1  
23   4  interchain    0  
24   4  total         1  
25   5  intraresidue  0  
26   5  sequential    0  
27   5  medium        0  
28   5  long          1  
29   5  interchain    0  
30   5  total         1  
31   6  intraresidue  0  
32   6  sequential    0  
33   6  medium        0  
34   6  long          1  
35   6  interchain    0  
36   6  total         1  
37   7  intraresidue  0  
38   7  sequential    0  
39   7  medium        0  
40   7  long          1  
41   7  interchain    0  
42   7  total         1  
43   8  intraresidue  0  
44   8  sequential    0  
45   8  medium        0  
46   8  long          1  
47   8  interchain    0  
48   8  total         1  
49   9  intraresidue  0  
50   9  sequential    0  
51   9  medium        0  
52   9  long          1  
53   9  interchain    0  
54   9  total         1  
55  10  intraresidue  1  
56  10  sequential    0  
57  10  medium        0  
58  10  long          1  
59  10  interchain    0  
60  10  total         2  
#
loop_
_pdbx_vrpt_distance_violations_ensemble_summary.id
_pdbx_vrpt_distance_violations_ensemble_summary.fraction_of_ensemble_count
_pdbx_vrpt_distance_violations_ensemble_summary.fraction_of_ensemble_percent
 1   1   10.0  
 2   2   20.0  
 3   3   30.0  
 4   4   40.0  
 5   5   50.0  
 6   6   60.0  
 7   7   70.0  
 8   8   80.0  
 9   9   90.0  
10  10  100.0  
#
loop_
_pdbx_vrpt_distance_violation_ensemble.ordinal
_pdbx_vrpt_distance_violation_ensemble.ensemble_distance_count
_pdbx_vrpt_distance_violation_ensemble.dist_rest_type
_pdbx_vrpt_distance_violation_ensemble.violations_count
 1   1  intraresidue  1  
 2   1  sequential    0  
 3   1  medium        0  
 4   1  long          0  
 5   1  interchain    0  
 6   1  total         1  
 7   2  intraresidue  0  
 8   2  sequential    0  
 9   2  medium        0  
10   2  long          0  
11   2  interchain    0  
12   2  total         0  
13   3  intraresidue  0  
14   3  sequential    0  
15   3  medium        0  
16   3  long          0  
17   3  interchain    0  
18   3  total         0  
19   4  intraresidue  0  
20   4  sequential    0  
21   4  medium        0  
22   4  long          0  
23   4  interchain    0  
24   4  total         0  
25   5  intraresidue  0  
26   5  sequential    0  
27   5  medium        0  
28   5  long          0  
29   5  interchain    0  
30   5  total         0  
31   6  intraresidue  0  
32   6  sequential    0  
33   6  medium        0  
34   6  long          0  
35   6  interchain    0  
36   6  total         0  
37   7  intraresidue  0  
38   7  sequential    0  
39   7  medium        0  
40   7  long          0  
41   7  interchain    0  
42   7  total         0  
43   8  intraresidue  0  
44   8  sequential    0  
45   8  medium        0  
46   8  long          0  
47   8  interchain    0  
48   8  total         0  
49   9  intraresidue  0  
50   9  sequential    0  
51   9  medium        0  
52   9  long          0  
53   9  interchain    0  
54   9  total         0  
55  10  intraresidue  0  
56  10  sequential    0  
57  10  medium        0  
58  10  long          1  
59  10  interchain    0  
60  10  total         1  
#
loop_
_pdbx_vrpt_residual_distance_violations.ordinal
_pdbx_vrpt_residual_distance_violations.bins
_pdbx_vrpt_residual_distance_violations.max_violation
_pdbx_vrpt_residual_distance_violations.violations_per_model
1  0.1-0.2  0.1   0.1   
2  0.2-0.5  None  None  
3  >0.5     1.1   1.0   
#
_pdbx_vrpt_most_violated_distance_restraints.ordinal                  1
_pdbx_vrpt_most_violated_distance_restraints.rest_id                  1
_pdbx_vrpt_most_violated_distance_restraints.rlist_id                 4
_pdbx_vrpt_most_violated_distance_restraints.altcode_1                .
_pdbx_vrpt_most_violated_distance_restraints.chain_1                  A
_pdbx_vrpt_most_violated_distance_restraints.resnum_1                 2
_pdbx_vrpt_most_violated_distance_restraints.resname_1                CYS
_pdbx_vrpt_most_violated_distance_restraints.icode_1                  ?
_pdbx_vrpt_most_violated_distance_restraints.ent_1                    1
_pdbx_vrpt_most_violated_distance_restraints.said_1                   A
_pdbx_vrpt_most_violated_distance_restraints.seq_1                    2
_pdbx_vrpt_most_violated_distance_restraints.atom_1                   CB
_pdbx_vrpt_most_violated_distance_restraints.chain_2                  A
_pdbx_vrpt_most_violated_distance_restraints.altcode_2                .
_pdbx_vrpt_most_violated_distance_restraints.resnum_2                 8
_pdbx_vrpt_most_violated_distance_restraints.resname_2                CYS
_pdbx_vrpt_most_violated_distance_restraints.seq_2                    8
_pdbx_vrpt_most_violated_distance_restraints.said_2                   A
_pdbx_vrpt_most_violated_distance_restraints.ent_2                    1
_pdbx_vrpt_most_violated_distance_restraints.icode_2                  ?
_pdbx_vrpt_most_violated_distance_restraints.atom_2                   CB
_pdbx_vrpt_most_violated_distance_restraints.violated_models          10
_pdbx_vrpt_most_violated_distance_restraints.mean_distance_violation  0.85
_pdbx_vrpt_most_violated_distance_restraints.median_violation         0.87
_pdbx_vrpt_most_violated_distance_restraints.standard_deviation       0.15
#
loop_
_pdbx_vrpt_violated_distance_restraints.ordinal
_pdbx_vrpt_violated_distance_restraints.rest_id
_pdbx_vrpt_violated_distance_restraints.rlist_id
_pdbx_vrpt_violated_distance_restraints.instance_id_1
_pdbx_vrpt_violated_distance_restraints.instance_id_2
_pdbx_vrpt_violated_distance_restraints.atom_1
_pdbx_vrpt_violated_distance_restraints.atom_2
_pdbx_vrpt_violated_distance_restraints.violation
 1  1  4  58  64  CB  CB  1.07  
 2  1  4  66  72  CB  CB  1.07  
 3  1  4  74  80  CB  CB  0.94  
 4  1  4  42  48  CB  CB  0.88  
 5  1  4  26  32  CB  CB  0.87  
 6  1  4  34  40  CB  CB  0.87  
 7  1  4  50  56  CB  CB  0.87  
 8  1  4   2   8  CB  CB  0.65  
 9  1  4  10  16  CB  CB  0.65  
10  1  4  18  24  CB  CB  0.65  
11  7  3  75  75  H   HB  0.11  
#
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  chemicalshiftanalysis  2.33                                                                  Y  
3  panav                  "Wang et al. (2010)"                                                  Y  
4  rci                    "v_1n_11_5_13_A (Berjanski et al., 2005)"                             Y  
5  restraintsanalysis     v1.2                                                                  Y  
6  percentiles            "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
