data_1KFN

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  1KFN
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    1KFN
_pdbx_vrpt_summary.PDB_deposition_date         2001-11-21
_pdbx_vrpt_summary.PDB_revision_number         4
_pdbx_vrpt_summary.PDB_revision_date           2021-10-27
_pdbx_vrpt_summary.report_creation_date        2021-10-17:08:21
_pdbx_vrpt_summary.attempted_validation_steps  molprobity,validation-pack,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  "MAJOR OUTER MEMBRANE LIPOPROTEIN"  
2  water    water  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  2  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all   x-ray  
2  1.65  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   35.94  141614     ?     ?  
2  2  1   17.50    1931  1.66  1.66  
3  1  2  100.00  138981     ?     ?  
4  2  2  100.00    1891  1.66  1.66  
5  1  3    7.33  138945     ?     ?  
6  2  3    1.00    1891  1.66  1.66  
#
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    7.33  
4  6  3  A  1  1  A    1.00  
#
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  0.51  0.37   385   519  
2  1  2  B  A     ?     ?     ?     ?  
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  0.00
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       10.00
_pdbx_vrpt_summary_geometry.clashscore                     7.96
_pdbx_vrpt_summary_geometry.num_H_reduce                   368
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 385
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.37
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                519
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.51
#
_pdbx_vrpt_summary_diffraction.exp_method           x-ray
_pdbx_vrpt_summary_diffraction.ordinal              1
_pdbx_vrpt_summary_diffraction.PDB_resolution_high  1.65
_pdbx_vrpt_summary_diffraction.PDB_resolution_low   29.41
_pdbx_vrpt_summary_diffraction.PDB_R                0.24
_pdbx_vrpt_summary_diffraction.PDB_Rfree            0.27
#
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  SER  A    1  .  ?        2  
 2  1  1  A   2  SER  A    2  .  ?        2  
 3  1  1  A   3  ASN  A    3  .  ?        ?  
 4  1  1  A   4  ALA  A    4  .  ?        2  
 5  1  1  A   5  LYS  A    5  .  ?        ?  
 6  1  1  A   6  ILE  A    6  .  ?        1  
 7  1  1  A   7  ASP  A    7  .  ?        ?  
 8  1  1  A   8  GLN  A    8  .  ?        ?  
 9  1  1  A   9  LEU  A    9  .  ?        ?  
10  1  1  A  10  SER  A   10  .  ?        ?  
11  1  1  A  11  SER  A   11  .  ?        ?  
12  1  1  A  12  ASP  A   12  .  ?        ?  
13  1  1  A  13  VAL  A   13  .  ?        ?  
14  1  1  A  14  GLN  A   14  .  ?        ?  
15  1  1  A  15  THR  A   15  .  ?        1  
16  1  1  A  16  LEU  A   16  .  ?        ?  
17  1  1  A  17  ASN  A   17  .  ?        ?  
18  1  1  A  18  ALA  A   18  .  ?        ?  
19  1  1  A  19  LYS  A   19  .  ?        1  
20  1  1  A  20  VAL  A   20  .  ?        ?  
21  1  1  A  21  ASP  A   21  .  ?        ?  
22  1  1  A  22  GLN  A   22  .  ?        ?  
23  1  1  A  23  ALA  A   23  .  ?        ?  
24  1  1  A  24  SER  A   24  .  ?        ?  
25  1  1  A  25  ASN  A   25  .  ?        ?  
26  1  1  A  26  ASP  A   26  .  ?        ?  
27  1  1  A  27  ALA  A   27  .  ?        ?  
28  1  1  A  28  ASN  A   28  .  ?        ?  
29  1  1  A  29  ALA  A   29  .  ?        ?  
30  1  1  A  30  ALA  A   30  .  ?        ?  
31  1  1  A  31  ARG  A   31  .  ?        ?  
32  1  1  A  32  SER  A   32  .  ?        ?  
33  1  1  A  33  ASP  A   33  .  ?        ?  
34  1  1  A  34  ALA  A   34  .  ?        ?  
35  1  1  A  35  GLN  A   35  .  ?        ?  
36  1  1  A  36  ALA  A   36  .  ?        ?  
37  1  1  A  37  ALA  A   37  .  ?        ?  
38  1  1  A  38  LYS  A   38  .  ?        ?  
39  1  1  A  39  ASP  A   39  .  ?        ?  
40  1  1  A  40  ASP  A   40  .  ?        ?  
41  1  1  A  41  ALA  A   41  .  ?        ?  
42  1  1  A  42  ALA  A   42  .  ?        ?  
43  1  1  A  43  ARG  A   43  .  ?        ?  
44  1  1  A  44  ALA  A   44  .  ?        ?  
45  1  1  A  45  ASN  A   45  .  ?        ?  
46  1  1  A  46  GLN  A   46  .  ?        ?  
47  1  1  A  47  ARG  A   47  .  ?        ?  
48  1  1  A  48  LEU  A   48  .  ?        ?  
49  1  1  A  49  ASP  A   49  .  ?        ?  
50  1  1  A  50  ASN  A   50  .  ?        ?  
51  1  1  A  51  MET  A   51  .  ?        ?  
52  1  1  A  52  ALA  A   52  .  ?        ?  
53  1  1  A  53  THR  A   53  .  ?        1  
54  1  2  B   .  HOH  A  101  .  ?        ?  
55  1  2  B   .  HOH  A  102  .  ?        ?  
56  1  2  B   .  HOH  A  103  .  ?        ?  
57  1  2  B   .  HOH  A  104  .  ?        ?  
58  1  2  B   .  HOH  A  105  .  ?        ?  
59  1  2  B   .  HOH  A  106  .  ?        ?  
60  1  2  B   .  HOH  A  107  .  ?        ?  
61  1  2  B   .  HOH  A  108  .  ?        ?  
62  1  2  B   .  HOH  A  109  .  ?        ?  
63  1  2  B   .  HOH  A  110  .  ?        ?  
64  1  2  B   .  HOH  A  111  .  ?        ?  
65  1  2  B   .  HOH  A  112  .  ?        ?  
66  1  2  B   .  HOH  A  113  .  ?        ?  
67  1  2  B   .  HOH  A  114  .  ?        ?  
68  1  2  B   .  HOH  A  115  .  ?        ?  
69  1  2  B   .  HOH  A  116  .  ?        ?  
70  1  2  B   .  HOH  A  117  .  ?        ?  
71  1  2  B   .  HOH  A  118  .  ?        ?  
72  1  2  B   .  HOH  A  119  .  ?        ?  
73  1  2  B   .  HOH  A  120  .  ?        ?  
74  1  2  B   .  HOH  A  121  .  ?        ?  
75  1  2  B   .  HOH  A  122  .  ?        ?  
76  1  2  B   .  HOH  A  123  .  ?        ?  
77  1  2  B   .  HOH  A  124  .  ?        1  
78  1  2  B   .  HOH  A  125  .  ?        ?  
79  1  2  B   .  HOH  A  126  .  ?        ?  
80  1  2  B   .  HOH  A  127  .  ?        ?  
81  1  2  B   .  HOH  A  128  .  ?        ?  
82  1  2  B   .  HOH  A  129  .  ?        ?  
83  1  2  B   .  HOH  A  130  .  ?        1  
84  1  2  B   .  HOH  A  131  .  ?        ?  
85  1  2  B   .  HOH  A  132  .  ?        ?  
86  1  2  B   .  HOH  A  133  .  ?        ?  
87  1  2  B   .  HOH  A  134  .  ?        ?  
88  1  2  B   .  HOH  A  135  .  ?        ?  
89  1  2  B   .  HOH  A  136  .  ?        ?  
90  1  2  B   .  HOH  A  137  .  ?        ?  
91  1  2  B   .  HOH  A  138  .  ?        ?  
92  1  2  B   .  HOH  A  139  .  ?        ?  
93  1  2  B   .  HOH  A  140  .  ?        ?  
94  1  2  B   .  HOH  A  141  .  ?        ?  
#
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.flippable_sidechain
_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  t            ?      ?  ?           ?   7   6  0.66   8  0.22  molprobity  
 2   2  t        -56.4  -53.2  Favored     ?   5   6  0.17   8  0.24  molprobity  
 3   3  m-20     -61.3  -43.2  Favored     ?   6   8  0.45  11  0.32  molprobity  
 4   4  ?        -60.3  -39.9  Favored     ?   5   5  0.32   7  0.39  molprobity  
 5   5  tptp     -70.5  -37.4  Favored     ?  13   9  0.35  11  0.32  molprobity  
 6   6  mt       -65.6  -42.3  Favored     ?  11   8  0.25  11  0.58  molprobity  
 7   7  m-20     -64.9  -40.7  Favored     ?   4   8  0.29  11  0.48  molprobity  
 8   8  tp-100   -63.9  -40.8  Favored     1   8   9  0.44  12  0.35  molprobity  
 9   9  mt       -64.8  -35.6  Favored     ?  11   8  0.28  11  0.50  molprobity  
10  10  m        -61.1  -45.0  Favored     ?   5   6  0.54   8  0.53  molprobity  
11  11  t        -67.2  -39.7  Favored     ?   5   6  0.35   8  0.32  molprobity  
12  12  m-20     -60.8  -44.5  Favored     ?   4   8  0.23  11  0.47  molprobity  
13  13  t        -60.2  -44.0  Favored     ?   9   7  0.28  10  0.53  molprobity  
14  14  mt-30    -61.6  -41.4  Favored     ?   8   9  0.34  12  0.39  molprobity  
15  15  m        -64.0  -42.2  Favored     ?   7   7  0.29  10  0.58  molprobity  
16  16  mt       -64.7  -37.0  Favored     ?  11   8  0.29  11  0.47  molprobity  
17  17  OUTLIER  -59.6  -42.6  Favored     ?   6   8  0.27  11  0.42  molprobity  
18  18  ?        -67.6  -43.6  Favored     ?   5   5  0.35   7  0.43  molprobity  
19  19  mttt     -64.8  -38.2  Favored     ?  13   9  0.35  11  0.67  molprobity  
20  20  t        -67.3  -45.0  Favored     ?   9   7  0.38  10  0.69  molprobity  
21  21  m-20     -65.4  -35.4  Favored     ?   4   8  0.39  11  0.55  molprobity  
22  22  tp60     -71.1  -37.1  Favored     ?   8   9  0.32  12  0.45  molprobity  
23  23  ?        -66.4  -34.9  Favored     ?   5   5  0.22   7  0.30  molprobity  
24  24  t        -68.6  -42.6  Favored     ?   5   6  0.38   8  0.57  molprobity  
25  25  m120     -57.8  -46.1  Favored     1   6   8  0.24  11  0.37  molprobity  
26  26  m-20     -64.4  -39.6  Favored     ?   4   8  0.41  11  0.61  molprobity  
27  27  ?        -68.7  -43.5  Favored     ?   5   5  0.36   7  0.34  molprobity  
28  28  m120     -67.7  -35.1  Favored     1   6   8  0.34  11  0.32  molprobity  
29  29  ?        -66.0  -45.7  Favored     ?   5   5  0.21   7  0.70  molprobity  
30  30  ?        -63.3  -40.0  Favored     ?   5   5  0.25   7  0.22  molprobity  
31  31  OUTLIER  -60.0  -46.8  Favored     ?  13  11  0.26  14  0.54  molprobity  
32  32  t        -59.8  -55.2  Favored     ?   5   6  0.66   8  0.62  molprobity  
33  33  OUTLIER  -57.5  -42.8  Favored     ?   4   8  0.25  11  0.37  molprobity  
34  34  ?        -64.7  -39.0  Favored     ?   5   5  0.32   7  0.30  molprobity  
35  35  tp-100   -62.7  -45.8  Favored     ?   8   9  0.22  12  0.47  molprobity  
36  36  ?        -63.2  -45.6  Favored     ?   5   5  0.52   7  0.33  molprobity  
37  37  ?        -65.2  -40.6  Favored     ?   5   5  0.44   7  0.33  molprobity  
38  38  ttpt     -65.0  -37.1  Favored     ?  13   9  0.19  11  0.42  molprobity  
39  39  OUTLIER  -70.0  -42.1  Favored     ?   4   8  0.24  11  0.49  molprobity  
40  40  t0       -67.3  -36.5  Favored     ?   4   8  0.25  11  0.40  molprobity  
41  41  ?        -70.9  -36.7  Favored     ?   5   5  0.72   7  0.46  molprobity  
42  42  ?        -64.4  -35.8  Favored     ?   5   5  0.67   7  0.46  molprobity  
43  43  ttp85    -67.9  -42.3  Favored     ?  13  11  0.50  14  0.59  molprobity  
44  44  ?        -64.5  -41.4  Favored     ?   5   5  0.21   7  0.72  molprobity  
45  45  m-20     -67.9  -30.6  Favored     ?   6   8  0.36  11  0.60  molprobity  
46  46  mt-30    -66.4  -43.5  Favored     1   8   9  0.42  12  0.49  molprobity  
47  47  mtp180   -62.9  -40.3  Favored     ?  13  11  0.40  14  0.50  molprobity  
48  48  mt       -66.0  -41.0  Favored     ?  11   8  0.29  11  1.05  molprobity  
49  49  m-20     -57.6  -36.4  Favored     ?   4   8  0.33  11  0.63  molprobity  
50  50  m-20     -82.7   -1.4  Favored     ?   6   8  0.45  11  0.48  molprobity  
51  51  tpp      -71.2  -35.9  Favored     ?   9   8  0.29  10  0.54  molprobity  
52  52  ?        -54.0  -44.9  Favored     ?   5   5  0.29   7  0.41  molprobity  
53  53  p            ?      ?  ?           ?   7   6  0.51   7  0.79  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   1  HB3   1  0.49  1.93  
 2   1  HB3   2  0.45  2.47  
 3   2  HB3   3  0.47  2.14  
 4   2  O     4  0.41  2.20  
 5   4  HB3   1  0.49  1.93  
 6   4  CB    2  0.45  2.47  
 7   6  HG13  4  0.41  2.20  
 8  15  HG22  5  0.50  1.94  
 9  19  HE3   5  0.50  1.94  
10  53  HG23  6  0.51  2.11  
11  77  O     3  0.47  2.14  
12  83  O     6  0.51  2.11  
#
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  percentiles  "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
