data_4OML

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  4OML
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    4OML
_pdbx_vrpt_summary.PDB_deposition_date         2014-01-27
_pdbx_vrpt_summary.PDB_revision_number         3
_pdbx_vrpt_summary.PDB_revision_date           2023-09-20
_pdbx_vrpt_summary.report_creation_date        2023-09-12:18:06
_pdbx_vrpt_summary.attempted_validation_steps  molprobity,validation-pack,xtriage,eds,mogul,percentiles,writexml,writecif,writepdf
_pdbx_vrpt_summary.ligands_for_buster_report   N
#
loop_
_pdbx_vrpt_entity.id
_pdbx_vrpt_entity.type
_pdbx_vrpt_entity.description
1  polymer      "Proto-oncogene tyrosine-protein kinase Src"  
2  non-polymer  "TRIETHYLENE GLYCOL"  
3  non-polymer  DI(HYDROXYETHYL)ETHER  
4  water        water  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  2  
C  3  
D  3  
E  3  
F  4  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all  x-ray  
2  1.6  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      
4  RSRZ_outliers_percent         
5  R_value_R_free                
#
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   99.96  141614     ?     ?  
 2  2  1   99.95    3665  1.60  1.60  
 3  1  2  100.00  138981     ?     ?  
 4  2  2  100.00    3564  1.60  1.60  
 5  1  3  100.00  138945     ?     ?  
 6  2  3  100.00    3563  1.60  1.60  
 7  1  4    2.35  127900     ?     ?  
 8  2  4    1.78    3321  1.60  1.60  
 9  1  5   84.49  130704     ?     ?  
10  2  5   71.32    3398  1.60  1.60  
#
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  7  4  A  1  1  A    2.35  
6  8  4  A  1  1  A    1.78  
#
_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      0.69
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ       0.51
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ   487
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ  663
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  0.00
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       0.00
_pdbx_vrpt_summary_geometry.clashscore                     0.00
_pdbx_vrpt_summary_geometry.num_H_reduce                   484
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 487
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.51
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                663
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.69
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.Babinet_b                 114.228
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            71.339
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         21.951
_pdbx_vrpt_summary_diffraction.I_over_sigma              1.60(1.60A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        11077
_pdbx_vrpt_summary_diffraction.Babinet_k                 0.488
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.469
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.474
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.310
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.955
_pdbx_vrpt_summary_diffraction.DCC_R                     0.17
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.20
_pdbx_vrpt_summary_diffraction.EDS_R                     0.19
_pdbx_vrpt_summary_diffraction.EDS_res_high              1.60
_pdbx_vrpt_summary_diffraction.EDS_res_low               19.22
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[24.697,24.697,17.044,0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.346
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 7.73% of the height of the origin peak. No significant pseudotranslation is detected."
_pdbx_vrpt_summary_diffraction.B_factor_type             FULL
_pdbx_vrpt_summary_diffraction.acentric_outliers         0
_pdbx_vrpt_summary_diffraction.centric_outliers          0
_pdbx_vrpt_summary_diffraction.data_completeness         95.98
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      529
_pdbx_vrpt_summary_diffraction.percent_free_reflections  4.78
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     14.04
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       1.60
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        19.22
_pdbx_vrpt_summary_diffraction.PDB_R                     0.17
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.20
#
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_mogul_torsion_outliers
 1  1  1  A  21  MET  A   84  .  ?        ?  
 2  1  1  A  22  THR  A   85  .  ?        ?  
 3  1  1  A  23  PHE  A   86  .  ?        ?  
 4  1  1  A  24  VAL  A   87  .  ?        ?  
 5  1  1  A  25  ALA  A   88  .  ?        ?  
 6  1  1  A  26  LEU  A   89  .  ?        ?  
 7  1  1  A  27  TYR  A   90  .  ?        ?  
 8  1  1  A  28  ASP  A   91  .  ?        ?  
 9  1  1  A  29  TYR  A   92  .  ?        ?  
10  1  1  A  30  GLU  A   93  .  ?        ?  
11  1  1  A  31  SER  A   94  A  ?        ?  
12  1  1  A  31  SER  A   94  B  ?        ?  
13  1  1  A  32  ARG  A   95  .  ?        ?  
14  1  1  A  33  THR  A   96  .  ?        ?  
15  1  1  A  34  GLU  A   97  .  ?        ?  
16  1  1  A  35  THR  A   98  .  ?        ?  
17  1  1  A  36  ASP  A   99  A  ?        ?  
18  1  1  A  36  ASP  A   99  B  ?        ?  
19  1  1  A  37  LEU  A  100  .  ?        ?  
20  1  1  A  38  SER  A  101  .  ?        ?  
21  1  1  A  39  PHE  A  102  .  ?        ?  
22  1  1  A  40  LYS  A  103  .  ?        ?  
23  1  1  A  41  LYS  A  104  .  ?        ?  
24  1  1  A  42  GLY  A  105  .  ?        ?  
25  1  1  A  43  GLU  A  106  .  ?        ?  
26  1  1  A  44  ARG  A  107  .  ?        ?  
27  1  1  A  45  LEU  A  108  .  ?        ?  
28  1  1  A  46  GLN  A  109  .  ?        ?  
29  1  1  A  47  ILE  A  110  .  ?        ?  
30  1  1  A  48  VAL  A  111  .  ?        ?  
31  1  1  A  49  ASN  A  112  .  ?        ?  
32  1  1  A  50  ASN  A  113  .  ?        ?  
33  1  1  A  51  THR  A  114  .  ?        ?  
34  1  1  A  52  GLU  A  115  .  ?        ?  
35  1  1  A  53  GLY  A  116  .  ?        ?  
36  1  1  A  54  ASP  A  117  .  ?        ?  
37  1  1  A  55  TRP  A  118  .  ?        ?  
38  1  1  A  56  TRP  A  119  .  ?        ?  
39  1  1  A  57  LEU  A  120  .  ?        ?  
40  1  1  A  58  ALA  A  121  .  ?        ?  
41  1  1  A  59  HIS  A  122  .  ?        ?  
42  1  1  A  60  SER  A  123  .  ?        ?  
43  1  1  A  61  LEU  A  124  .  ?        ?  
44  1  1  A  62  THR  A  125  .  ?        ?  
45  1  1  A  63  THR  A  126  .  ?        ?  
46  1  1  A  64  GLY  A  127  .  ?        ?  
47  1  1  A  65  ARG  A  128  .  ?        ?  
48  1  1  A  66  THR  A  129  .  ?        ?  
49  1  1  A  67  GLY  A  130  .  ?        ?  
50  1  1  A  68  TYR  A  131  .  ?        ?  
51  1  1  A  69  ILE  A  132  .  ?        ?  
52  1  1  A  70  PRO  A  133  .  ?        ?  
53  1  1  A  71  SER  A  134  .  ?        ?  
54  1  1  A  72  ASN  A  135  .  ?        ?  
55  1  1  A  73  TYR  A  136  .  ?        ?  
56  1  1  A  74  VAL  A  137  .  ?        ?  
57  1  1  A  75  ALA  A  138  .  ?        ?  
58  1  1  A  76  PRO  A  139  .  ?        ?  
59  1  1  A  77  SER  A  140  .  ?        ?  
60  1  2  B   .  PGE  A  201  .  ?        4  
61  1  3  C   .  PEG  A  202  .  ?        1  
62  1  3  D   .  PEG  A  203  .  ?        ?  
63  1  3  E   .  PEG  A  204  .  ?        2  
64  1  4  F   .  HOH  A  301  .  ?        ?  
65  1  4  F   .  HOH  A  302  .  ?        ?  
66  1  4  F   .  HOH  A  303  .  ?        ?  
67  1  4  F   .  HOH  A  304  .  ?        ?  
68  1  4  F   .  HOH  A  305  .  ?        ?  
69  1  4  F   .  HOH  A  306  .  ?        ?  
70  1  4  F   .  HOH  A  307  .  ?        ?  
71  1  4  F   .  HOH  A  308  .  ?        ?  
72  1  4  F   .  HOH  A  309  .  ?        ?  
73  1  4  F   .  HOH  A  310  .  ?        ?  
74  1  4  F   .  HOH  A  311  .  ?        ?  
75  1  4  F   .  HOH  A  312  .  ?        ?  
76  1  4  F   .  HOH  A  313  .  ?        ?  
77  1  4  F   .  HOH  A  314  .  ?        ?  
78  1  4  F   .  HOH  A  315  .  ?        ?  
79  1  4  F   .  HOH  A  316  .  ?        ?  
80  1  4  F   .  HOH  A  317  .  ?        ?  
81  1  4  F   .  HOH  A  318  .  ?        ?  
82  1  4  F   .  HOH  A  319  .  ?        ?  
83  1  4  F   .  HOH  A  320  .  ?        ?  
84  1  4  F   .  HOH  A  321  .  ?        ?  
85  1  4  F   .  HOH  A  322  .  ?        ?  
#
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.OWAB
_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.average_occupancy
 1   1  ptm           ?       ?  ?           8  65.040     8  0.28    10  0.53  molprobity  0.883  
 2   2  m         -99.9   137.9  Favored     7  56.240     7  0.38    10  0.49  molprobity  1.000  
 3   3  m-85     -122.6   160.5  Favored     9  39.860    12  0.44    16  0.40  molprobity  1.000  
 4   4  t        -118.6   135.1  Favored     9  37.780     7  0.55    10  0.47  molprobity  1.000  
 5   5  ?         -68.1   128.1  Favored     5  34.570     5  0.39     7  0.13  molprobity  1.000  
 6   6  mt        -90.0   -22.3  Favored    11  39.280     8  0.46    11  0.47  molprobity  1.000  
 7   7  m-85     -141.1   158.5  Favored     9  37.600    13  0.51    18  0.50  molprobity  1.000  
 8   8  m-20      -66.0   144.2  Favored     4  37.620     8  0.35    11  1.83  molprobity  1.000  
 9   9  t80      -139.2   124.7  Favored     9  25.050    13  0.54    18  0.71  molprobity  1.000  
10  10  mt-10     -96.4   129.2  Favored     6  49.060     9  0.33    12  0.78  molprobity  1.000  
11  11  t         -59.1   141.2  Favored     5  26.710     6  0.50     8  0.44  molprobity  1.000  
12  12  t         -59.1   141.2  Favored     5  26.710     6  0.50     8  0.44  molprobity  1.000  
13  13  mtm180   -110.8   -15.8  Favored    13  35.570    11  0.40    14  1.03  molprobity  1.000  
14  14  p        -138.8  -179.5  Favored     7  26.690     7  0.29    10  0.67  molprobity  1.000  
15  15  mt-10     -76.4    -9.5  Favored     6  29.180     9  0.34    12  0.27  molprobity  0.744  
16  16  p        -111.1   -15.4  Favored     7  19.100     7  0.34    10  0.93  molprobity  1.000  
17  17  p-10      -62.3   156.1  Favored     4  18.000     8  0.49    11  1.09  molprobity  1.000  
18  18  p-10      -62.3   156.1  Favored     4  18.000     8  0.49    11  1.09  molprobity  1.000  
19  19  tp       -107.5   126.2  Favored    10  18.870     8  0.50    11  0.36  molprobity  1.000  
20  20  m         -80.4   141.0  Favored     5  22.690     6  0.54     8  0.39  molprobity  1.000  
21  21  p90      -154.1   160.5  Favored     9  25.100    12  0.58    16  0.48  molprobity  1.000  
22  22  mmtp     -105.7   150.5  Favored    13  34.620     9  0.45    11  0.71  molprobity  0.837  
23  23  tttm      -47.5   132.8  Favored    13  38.900     9  0.46    11  0.36  molprobity  1.000  
24  24  ?         100.8   -14.7  Favored     3  35.710     4  0.44     5  0.80  molprobity  1.000  
25  25  mt-10     -66.8   148.8  Favored     6  29.460     9  0.61    12  0.51  molprobity  1.000  
26  26  mtm180    -96.7   127.8  Favored    13  41.120    11  0.38    14  0.74  molprobity  1.000  
27  27  mt       -125.1   143.3  Favored    11  34.670     8  0.48    11  0.71  molprobity  1.000  
28  28  tt0      -118.3   130.8  Favored     8  43.650     9  0.55    12  0.94  molprobity  1.000  
29  29  mm        -74.3   133.9  Favored    11  41.370     8  0.45    11  0.79  molprobity  1.000  
30  30  t         -92.4   122.2  Favored     9  45.620     7  0.54    10  0.58  molprobity  1.000  
31  31  t30       -61.0   137.1  Favored     6  65.610     8  0.32    11  0.39  molprobity  1.000  
32  32  t30      -146.8   131.8  Favored     6  56.540     8  0.35    11  0.45  molprobity  1.000  
33  33  p         -69.2   -20.4  Favored     7  45.420     7  0.69    10  0.61  molprobity  1.000  
34  34  mt-10     -75.2   -30.0  Favored     6  38.180     9  1.23    12  0.63  molprobity  1.000  
35  35  ?          86.8   179.5  Favored     3  38.630     4  0.66     5  0.47  molprobity  1.000  
36  36  m-20      -57.9   149.5  Favored     4  40.020     8  0.35    11  0.76  molprobity  1.000  
37  37  m95      -100.5   140.1  Favored    10  20.760    16  0.48    23  0.54  molprobity  1.000  
38  38  m0       -122.4   146.2  Favored    10  31.180    16  0.49    23  0.52  molprobity  1.000  
39  39  tp        -80.8   125.1  Favored    11  21.630     8  0.36    11  0.73  molprobity  1.000  
40  40  ?        -134.7   151.2  Favored     5  21.150     5  0.91     7  0.85  molprobity  1.000  
41  41  t60      -114.2   126.8  Favored     7  21.630    11  0.33    15  0.49  molprobity  1.000  
42  42  t         -82.8   119.5  Favored     5  22.270     6  0.56     8  0.62  molprobity  1.000  
43  43  mt        -68.9   -24.9  Favored    11  32.030     8  0.39    11  0.47  molprobity  1.000  
44  44  m         -76.0   -42.3  Favored     7  28.580     7  0.34    10  0.47  molprobity  1.000  
45  45  p        -113.0   -17.8  Favored     7  21.660     7  0.47    10  1.04  molprobity  1.000  
46  46  ?          83.4    -2.1  Favored     3  18.220     4  0.49     5  0.67  molprobity  1.000  
47  47  mtm-85    -81.0   160.5  Favored    13  22.980    11  0.67    14  1.17  molprobity  1.000  
48  48  m        -143.0   138.7  Favored     7  18.620     7  0.56    10  0.57  molprobity  1.000  
49  49  ?         172.7  -179.0  Favored     3  16.600     4  0.28     5  0.51  molprobity  1.000  
50  50  m-85      -77.0   141.6  Favored     9  17.130    13  0.81    18  0.46  molprobity  1.000  
51  51  pt       -128.2   153.7  Favored    11  21.270     8  0.42    12  0.82  molprobity  1.000  
52  52  Cg_endo   -85.0   120.3  Favored     7  24.290     8  0.56    11  0.58  molprobity  1.000  
53  53  p         -65.1   -23.8  Favored     5  35.070     6  0.22     8  0.69  molprobity  1.000  
54  54  m-20      -72.3    -5.5  Favored     6  40.530     8  0.52    11  0.41  molprobity  1.000  
55  55  m-85      -92.6    -1.8  Favored     9  32.770    13  0.78    18  0.78  molprobity  1.000  
56  56  m        -132.2   168.5  Favored     9  36.150     7  0.51    10  0.61  molprobity  1.000  
57  57  ?        -145.1   147.6  Favored     5  43.660     5  0.31     8  0.38  molprobity  1.000  
58  58  Cg_exo    -57.7   158.2  Favored     7  56.510     8  0.23    11  0.23  molprobity  1.000  
59  59  p             ?       ?  ?           5  67.580     5  0.13     5  0.18  molprobity  1.000  
60  60  ?             ?       ?  ?          14  31.110     9  0.33     8  0.62  mogul       0.580  
61  61  ?             ?       ?  ?           9  52.750     6  0.62     5  0.63  mogul       1.000  
62  62  ?             ?       ?  ?           9  47.160     6  0.64     5  0.44  mogul       1.000  
63  63  ?             ?       ?  ?           9  46.280     6  0.58     5  0.25  mogul       0.820  
64  64  ?             ?       ?  ?           ?  18.180     ?     ?     ?     ?  ?           1.000  
65  65  ?             ?       ?  ?           ?  21.290     ?     ?     ?     ?  ?           1.000  
66  66  ?             ?       ?  ?           ?  25.030     ?     ?     ?     ?  ?           1.000  
67  67  ?             ?       ?  ?           ?  30.340     ?     ?     ?     ?  ?           1.000  
68  68  ?             ?       ?  ?           ?  26.780     ?     ?     ?     ?  ?           1.000  
69  69  ?             ?       ?  ?           ?  32.850     ?     ?     ?     ?  ?           1.000  
70  70  ?             ?       ?  ?           ?  31.180     ?     ?     ?     ?  ?           1.000  
71  71  ?             ?       ?  ?           ?  34.060     ?     ?     ?     ?  ?           1.000  
72  72  ?             ?       ?  ?           ?  46.980     ?     ?     ?     ?  ?           1.000  
73  73  ?             ?       ?  ?           ?  38.050     ?     ?     ?     ?  ?           1.000  
74  74  ?             ?       ?  ?           ?  41.140     ?     ?     ?     ?  ?           1.000  
75  75  ?             ?       ?  ?           ?  42.370     ?     ?     ?     ?  ?           1.000  
76  76  ?             ?       ?  ?           ?  51.940     ?     ?     ?     ?  ?           1.000  
77  77  ?             ?       ?  ?           ?  35.570     ?     ?     ?     ?  ?           1.000  
78  78  ?             ?       ?  ?           ?  53.770     ?     ?     ?     ?  ?           1.000  
79  79  ?             ?       ?  ?           ?  42.330     ?     ?     ?     ?  ?           1.000  
80  80  ?             ?       ?  ?           ?  45.150     ?     ?     ?     ?  ?           1.000  
81  81  ?             ?       ?  ?           ?  48.000     ?     ?     ?     ?  ?           1.000  
82  82  ?             ?       ?  ?           ?  39.560     ?     ?     ?     ?  ?           1.000  
83  83  ?             ?       ?  ?           ?  47.500     ?     ?     ?     ?  ?           1.000  
84  84  ?             ?       ?  ?           ?  22.040     ?     ?     ?     ?  ?           1.000  
85  85  ?             ?       ?  ?           ?  31.230     ?     ?     ?     ?  ?           0.500  
#
loop_
_pdbx_vrpt_instance_mogul_torsion_outliers.ordinal
_pdbx_vrpt_instance_mogul_torsion_outliers.instance_id
_pdbx_vrpt_instance_mogul_torsion_outliers.atom_1
_pdbx_vrpt_instance_mogul_torsion_outliers.atom_2
_pdbx_vrpt_instance_mogul_torsion_outliers.atom_3
_pdbx_vrpt_instance_mogul_torsion_outliers.atom_4
_pdbx_vrpt_instance_mogul_torsion_outliers.obsval
_pdbx_vrpt_instance_mogul_torsion_outliers.mean
_pdbx_vrpt_instance_mogul_torsion_outliers.numobs
_pdbx_vrpt_instance_mogul_torsion_outliers.stdev
_pdbx_vrpt_instance_mogul_torsion_outliers.mindiff
_pdbx_vrpt_instance_mogul_torsion_outliers.local_density
1  60  O1  C1  C2  O2  -153.00  79.37    642  23.85  0.06  1.09  
2  60  O2  C3  C4  O3  -160.07  88.85  10000  21.91  0.03  1.42  
3  60  C3  C4  O3  C5   101.62  59.62  10000  20.79  0.03  4.06  
4  60  O3  C5  C6  O4  -149.18  76.30    642  21.98  0.52  1.25  
5  61  C4  C3  O2  C2  -145.54  30.91  10000  16.54  0.00  4.61  
6  63  C4  C3  O2  C2   105.32  57.00  10000  18.88  0.03  3.23  
7  63  O2  C3  C4  O4   111.91  47.03    642  11.32  2.65  0.47  
#
loop_
_pdbx_vrpt_model_instance_density.ordinal
_pdbx_vrpt_model_instance_density.instance_id
_pdbx_vrpt_model_instance_density.natoms_eds
_pdbx_vrpt_model_instance_density.RSRCC
_pdbx_vrpt_model_instance_density.RSR
_pdbx_vrpt_model_instance_density.RSRZ
 1   1   8  0.747  0.280   3.951  
 2   2   7  0.748  0.206   2.483  
 3   3  11  0.945  0.085  -0.148  
 4   4   7  0.942  0.106   0.313  
 5   5   5  0.946  0.103   0.306  
 6   6   8  0.958  0.074  -0.610  
 7   7  12  0.952  0.076  -0.344  
 8   8   8  0.950  0.084  -0.361  
 9   9  12  0.961  0.064  -0.669  
10  10   9  0.948  0.154   0.393  
11  11   9  0.969  0.083  -0.254  
12  12   9  0.969  0.083  -0.254  
13  13  11  0.865  0.109  -0.113  
14  14   7  0.989  0.070  -0.474  
15  15   9  0.975  0.131   0.054  
16  16   7  0.958  0.072  -0.430  
17  17  16  0.978  0.068  -0.629  
18  18  16  0.978  0.068  -0.629  
19  19   8  0.984  0.131   0.882  
20  20   6  0.948  0.083  -0.254  
21  21  11  0.964  0.099   0.244  
22  22   9  0.958  0.095  -0.551  
23  23   9  0.975  0.095  -0.551  
24  24   4  0.919  0.086  -0.068  
25  25   9  0.950  0.085  -0.623  
26  26  11  0.602  0.293   2.948  
27  27   8  0.931  0.109   0.306  
28  28   9  0.929  0.135   0.357  
29  29   8  0.928  0.089  -0.219  
30  30   7  0.895  0.120   0.679  
31  31   8  0.766  0.341   4.288  
32  32   8  0.765  0.202   1.805  
33  33   7  0.891  0.209   2.548  
34  34   9  0.827  0.119  -0.122  
35  35   4  0.974  0.073  -0.322  
36  36   8  0.933  0.116   0.176  
37  37  14  0.974  0.070  -0.482  
38  38  14  0.951  0.084  -0.063  
39  39   8  0.957  0.111   0.359  
40  40   5  0.988  0.175   1.928  
41  41  10  0.971  0.084  -0.224  
42  42   6  0.981  0.091  -0.100  
43  43   8  0.964  0.068  -0.767  
44  44   7  0.987  0.043  -1.061  
45  45   7  0.978  0.078  -0.300  
46  46   4  0.986  0.086  -0.068  
47  47  11  0.953  0.085  -0.512  
48  48   7  0.977  0.120   0.613  
49  49   4  0.983  0.097   0.146  
50  50  12  0.977  0.102   0.360  
51  51   8  0.975  0.118   0.556  
52  52   7  0.980  0.108   0.295  
53  53   6  0.960  0.072  -0.465  
54  54   8  0.930  0.082  -0.338  
55  55  12  0.978  0.078  -0.290  
56  56   7  0.908  0.089  -0.131  
57  57   5  0.969  0.186   2.176  
58  58   7  0.912  0.219   2.551  
59  59   6  0.785  0.284   3.612  
60  60  10  0.945  0.116       ?  
61  61   7  0.939  0.113       ?  
62  62   7  0.883  0.162       ?  
63  63   7  0.784  0.195       ?  
64  64   1  0.984  0.239       ?  
65  65   1  0.975  0.168       ?  
66  66   1  0.985  0.104       ?  
67  67   1  0.945  0.114       ?  
68  68   1  0.985  0.077       ?  
69  69   1  0.897  0.196       ?  
70  70   1  0.938  0.298       ?  
71  71   1  0.830  0.314       ?  
72  72   1  0.804  0.140       ?  
73  73   1  0.814  0.125       ?  
74  74   1  0.876  0.089       ?  
75  75   1  0.948  0.192       ?  
76  76   1  0.851  0.198       ?  
77  77   1  0.859  0.106       ?  
78  78   1  0.816  0.575       ?  
79  79   1  0.709  0.118       ?  
80  80   1  0.799  0.093       ?  
81  81   1  0.843  0.097       ?  
82  82   1  0.880  0.158       ?  
83  83   1  0.644  0.356       ?  
84  84   1  0.973  0.153       ?  
85  85   1  0.917  0.138       ?  
#
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  eds          2.35.1                                                                Y  
4  dcc          '"2.27  (2023-04-10)"'                                                Y  
5  xtriage      1.13                                                                  Y  
6  percentiles  "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
