data_3SVM

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  3SVM
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    3SVM
_pdbx_vrpt_summary.PDB_deposition_date         2011-07-12
_pdbx_vrpt_summary.PDB_revision_number         2
_pdbx_vrpt_summary.PDB_revision_date           2023-09-13
_pdbx_vrpt_summary.report_creation_date        2023-09-03:12:30
_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  "M-phase phosphoprotein 8"  
2  polymer  "DNA (cytosine-5)-methyltransferase 3A"  
3  water    water  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  2  
C  3  
D  3  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all   x-ray  
2  2.31  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  26.06  141614     ?     ?  
 2  2  1  32.25    6604  2.30  2.34  
 3  1  2   4.13  138981     ?     ?  
 4  2  2   2.31    6523  2.30  2.34  
 5  1  3  60.43  138945     ?     ?  
 6  2  3  75.29    6523  2.30  2.34  
 7  1  4   4.74  127900     ?     ?  
 8  2  4   7.21    5855  2.30  2.34  
 9  1  5  12.99  130704     ?     ?  
10  2  5  15.12    5974  2.30  2.34  
#
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    3.49  
 2  4  2  A  1  1  A    1.79  
 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   10.97  
 6  8  4  A  1  1  A   15.23  
 7  3  2  B  1  2  P  100.00  
 8  4  2  B  1  2  P  100.00  
 9  5  3  B  1  2  P    1.91  
10  6  3  B  1  2  P    1.66  
11  7  4  B  1  2  P    0.23  
12  8  4  B  1  2  P    0.36  
#
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  0.65  0.40  507  680  
2  1  2  B  P  0.64  0.44   71  100  
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  2.99
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       1.67
_pdbx_vrpt_summary_geometry.clashscore                     10.42
_pdbx_vrpt_summary_geometry.num_H_reduce                   572
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 578
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.41
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                780
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.65
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.Babinet_b                 104.773
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            57.145
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         49.830
_pdbx_vrpt_summary_diffraction.I_over_sigma              2.97(2.31A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        3624
_pdbx_vrpt_summary_diffraction.Babinet_k                 0.286
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.367
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.475
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.309
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.927
_pdbx_vrpt_summary_diffraction.DCC_R                     0.25
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.28
_pdbx_vrpt_summary_diffraction.EDS_R                     0.25
_pdbx_vrpt_summary_diffraction.EDS_res_high              2.31
_pdbx_vrpt_summary_diffraction.EDS_res_low               30.00
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[43.762,71.558,46.509,0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.515
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 9.57% 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         1
_pdbx_vrpt_summary_diffraction.centric_outliers          0
_pdbx_vrpt_summary_diffraction.data_completeness         91.04
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      194
_pdbx_vrpt_summary_diffraction.percent_free_reflections  5.35
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     11.27
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       2.31
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        30.00
_pdbx_vrpt_summary_diffraction.PDB_R                     0.26
_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
_pdbx_vrpt_model_instance.count_mogul_angle_outliers
_pdbx_vrpt_model_instance.count_mogul_torsion_outliers
 1  1  1  A   2  GLU  A   56  .  ?        1     ?     ?  
 2  1  1  A   3  ASP  A   57  .  ?        1     ?     ?  
 3  1  1  A   4  VAL  A   58  .  ?        2     ?     ?  
 4  1  1  A   5  PHE  A   59  .  ?        ?     ?     ?  
 5  1  1  A   6  GLU  A   60  .  ?        ?     ?     ?  
 6  1  1  A   7  VAL  A   61  .  ?        ?     ?     ?  
 7  1  1  A   8  GLU  A   62  .  ?        ?     ?     ?  
 8  1  1  A   9  LYS  A   63  .  ?        ?     ?     ?  
 9  1  1  A  10  ILE  A   64  .  ?        ?     ?     ?  
10  1  1  A  11  LEU  A   65  .  ?        ?     ?     ?  
11  1  1  A  12  ASP  A   66  .  ?        ?     ?     ?  
12  1  1  A  13  MET  A   67  .  ?        ?     ?     ?  
13  1  1  A  14  LYS  A   68  .  ?        ?     ?     ?  
14  1  1  A  15  THR  A   69  .  ?        ?     ?     ?  
15  1  1  A  16  GLU  A   70  .  ?        1     ?     ?  
16  1  1  A  17  GLY  A   71  .  ?        ?     ?     ?  
17  1  1  A  18  GLY  A   72  .  ?        ?     ?     ?  
18  1  1  A  19  LYS  A   73  .  ?        ?     ?     ?  
19  1  1  A  20  VAL  A   74  .  ?        ?     ?     ?  
20  1  1  A  21  LEU  A   75  .  ?        1     ?     ?  
21  1  1  A  22  TYR  A   76  .  ?        ?     ?     ?  
22  1  1  A  23  LYS  A   77  .  ?        ?     ?     ?  
23  1  1  A  24  VAL  A   78  .  ?        ?     ?     ?  
24  1  1  A  25  ARG  A   79  .  ?        ?     ?     ?  
25  1  1  A  26  TRP  A   80  .  ?        ?     ?     ?  
26  1  1  A  27  LYS  A   81  .  ?        ?     ?     ?  
27  1  1  A  28  GLY  A   82  .  ?        ?     ?     ?  
28  1  1  A  29  TYR  A   83  .  ?        ?     ?     ?  
29  1  1  A  30  THR  A   84  .  ?        ?     ?     ?  
30  1  1  A  31  SER  A   85  .  ?        ?     ?     ?  
31  1  1  A  32  ASP  A   86  .  ?        ?     ?     ?  
32  1  1  A  33  ASP  A   87  .  ?        ?     ?     ?  
33  1  1  A  34  ASP  A   88  .  ?        ?     ?     ?  
34  1  1  A  35  THR  A   89  .  ?        ?     ?     ?  
35  1  1  A  36  TRP  A   90  .  ?        ?     ?     ?  
36  1  1  A  37  GLU  A   91  .  ?        ?     ?     ?  
37  1  1  A  38  PRO  A   92  .  ?        ?     ?     ?  
38  1  1  A  39  GLU  A   93  .  ?        ?     ?     ?  
39  1  1  A  40  ILE  A   94  .  ?        1     ?     ?  
40  1  1  A  41  HIS  A   95  .  ?        ?     ?     ?  
41  1  1  A  42  LEU  A   96  .  ?        2     ?     ?  
42  1  1  A  43  GLU  A   97  .  ?        1     ?     ?  
43  1  1  A  44  ASP  A   98  .  ?        ?     ?     ?  
44  1  1  A  45  CYS  A   99  .  ?        1     ?     ?  
45  1  1  A  46  LYS  A  100  .  ?        ?     ?     ?  
46  1  1  A  47  GLU  A  101  .  ?        2     ?     ?  
47  1  1  A  48  VAL  A  102  .  ?        ?     ?     ?  
48  1  1  A  49  LEU  A  103  .  ?        ?     ?     ?  
49  1  1  A  50  LEU  A  104  .  ?        1     ?     ?  
50  1  1  A  51  GLU  A  105  .  ?        ?     ?     ?  
51  1  1  A  52  PHE  A  106  .  ?        ?     ?     ?  
52  1  1  A  53  ARG  A  107  .  ?        1     ?     ?  
53  1  1  A  54  LYS  A  108  .  ?        1     ?     ?  
54  1  1  A  55  LYS  A  109  .  ?        ?     ?     ?  
55  1  1  A  56  ILE  A  110  .  ?        1     ?     ?  
56  1  1  A  57  ALA  A  111  .  ?        ?     ?     ?  
57  1  1  A  58  GLU  A  112  .  ?        ?     ?     ?  
58  1  1  A  59  ASN  A  113  .  ?        ?     ?     ?  
59  1  1  A  60  LYS  A  114  .  ?        ?     ?     ?  
60  1  1  A  61  ALA  A  115  .  ?        ?     ?     ?  
61  1  2  B   1  TYR  P   39  .  ?        ?     ?     ?  
62  1  2  B   2  GLU  P   40  .  ?        ?     ?     ?  
63  1  2  B   3  PRO  P   41  .  ?        2     ?     ?  
64  1  2  B   4  SER  P   42  .  ?        1     ?     ?  
65  1  2  B   5  THR  P   43  .  ?        1     ?     ?  
66  1  2  B   6  THR  P   44  .  ?        ?     ?     ?  
67  1  2  B   7  ALA  P   45  .  ?        ?     ?     ?  
68  1  2  B   8  ARG  P   46  .  ?        1     ?     ?  
69  1  2  B   9  MLY  P   47  A  ?        ?     1     1  
70  1  2  B   9  MLY  P   47  B  ?        ?     ?     1  
71  1  2  B   9  MLY  P   47  C  ?        ?     ?     1  
72  1  2  B  10  VAL  P   48  .  ?        ?     ?     ?  
73  1  2  B  11  GLY  P   49  .  ?        ?     ?     ?  
74  1  2  B  12  ARG  P   50  .  ?        ?     ?     ?  
75  1  3  C   .  HOH  A    1  .  ?        ?     ?     ?  
76  1  3  C   .  HOH  A    2  .  ?        ?     ?     ?  
77  1  3  C   .  HOH  A    3  .  ?        ?     ?     ?  
78  1  3  C   .  HOH  A    4  .  ?        ?     ?     ?  
79  1  3  C   .  HOH  A    5  .  ?        ?     ?     ?  
80  1  3  C   .  HOH  A    7  .  ?        ?     ?     ?  
81  1  3  C   .  HOH  A    9  .  ?        ?     ?     ?  
82  1  3  C   .  HOH  A   10  .  ?        ?     ?     ?  
83  1  3  C   .  HOH  A   11  .  ?        ?     ?     ?  
84  1  3  C   .  HOH  A   14  .  ?        ?     ?     ?  
85  1  3  C   .  HOH  A   16  .  ?        ?     ?     ?  
86  1  3  C   .  HOH  A   17  .  ?        ?     ?     ?  
87  1  3  C   .  HOH  A   18  .  ?        ?     ?     ?  
88  1  3  C   .  HOH  A   19  .  ?        ?     ?     ?  
89  1  3  C   .  HOH  A   22  .  ?        ?     ?     ?  
90  1  3  C   .  HOH  A   23  .  ?        ?     ?     ?  
91  1  3  C   .  HOH  A   26  .  ?        ?     ?     ?  
92  1  3  D   .  HOH  P    6  .  ?        1     ?     ?  
93  1  3  D   .  HOH  P    8  .  ?        1     ?     ?  
94  1  3  D   .  HOH  P   13  .  ?        ?     ?     ?  
95  1  3  D   .  HOH  P   15  .  ?        ?     ?     ?  
96  1  3  D   .  HOH  P   20  .  ?        ?     ?     ?  
97  1  3  D   .  HOH  P   21  .  ?        ?     ?     ?  
98  1  3  D   .  HOH  P   25  .  ?        ?     ?     ?  
#
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.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  ?             ?      ?  ?           ?     1  77.890     5  0.69     7   0.61  molprobity  1.000  
 2   2  t0         51.1  -55.1  OUTLIER     ?     4  72.790     8  0.62    11   1.15  molprobity  1.000  
 3   3  t          81.3  133.6  OUTLIER     ?     9  62.470     7  0.21    10   0.68  molprobity  1.000  
 4   4  m-85     -134.0  160.0  Favored     ?     9  54.060    12  0.52    16   0.57  molprobity  1.000  
 5   5  tm-20     -75.6  126.4  Favored     ?     6  62.000     9  0.29    12   0.63  molprobity  1.000  
 6   6  t         -91.9  132.5  Favored     ?     9  48.970     7  0.64    10   0.57  molprobity  1.000  
 7   7  tt0       -93.2  -49.3  Favored     ?     6  54.840     9  0.49    12   0.76  molprobity  1.000  
 8   8  pttm     -173.1  165.4  Favored     ?    13  45.250     9  0.32    11   0.86  molprobity  1.000  
 9   9  mt        -93.9  130.8  Favored     ?    11  38.930     8  0.32    11   0.77  molprobity  1.000  
10  10  mt        -90.4  -37.4  Favored     ?    11  39.750     8  0.33    11   0.41  molprobity  1.000  
11  11  m-20     -165.9  177.3  Favored     ?     4  38.010     8  0.72    11   0.59  molprobity  1.000  
12  12  ptm      -139.6  166.4  Favored     ?     9  44.830     8  0.48    10   0.65  molprobity  1.000  
13  13  pttt     -165.6  170.1  Favored     ?    13  39.850     9  0.66    11   0.74  molprobity  1.000  
14  14  p        -124.9  136.9  Favored     ?     7  44.080     7  0.52    10   0.90  molprobity  1.000  
15  15  mt-10    -116.6   91.8  Favored     ?     6  58.130     9  0.35    12   0.88  molprobity  1.000  
16  16  ?          92.7  -99.2  Favored     ?     3  65.730     4  0.21     5   1.25  molprobity  1.000  
17  17  ?        -132.1    4.1  Favored     ?     3  64.140     4  0.30     5   0.73  molprobity  1.000  
18  18  tttt      -96.5  142.8  Favored     ?    13  61.560     9  0.24    11   0.53  molprobity  1.000  
19  19  t         -93.4  134.3  Favored     ?     9  49.870     7  0.24    10   0.69  molprobity  1.000  
20  20  mp       -129.8  148.4  Favored     ?    11  43.220     8  0.25    11   0.50  molprobity  1.000  
21  21  m-85     -125.9  134.0  Favored     ?     9  41.970    13  0.78    18   0.66  molprobity  1.000  
22  22  ttpt      -86.1  124.7  Favored     ?    13  38.730     9  0.41    11   0.88  molprobity  1.000  
23  23  t        -111.2  136.1  Favored     ?     9  34.080     7  0.68    10   1.02  molprobity  1.000  
24  24  tpp85    -101.5  115.5  Favored     ?    13  39.180    11  0.30    14   1.05  molprobity  1.000  
25  25  m95       -85.9  133.5  Favored     ?    10  38.610    16  0.39    23   0.32  molprobity  1.000  
26  26  tttt      -59.8  128.9  Favored     ?    13  49.600     9  0.41    11   0.66  molprobity  1.000  
27  27  ?          88.5   -3.2  Favored     ?     3  47.410     4  0.29     5   0.21  molprobity  1.000  
28  28  m-85     -114.6  156.9  Favored     ?     9  40.970    13  0.34    18   0.37  molprobity  1.000  
29  29  p         -87.0  174.1  Favored     ?     7  42.650     7  0.25    10   0.73  molprobity  1.000  
30  30  p         -65.0  -13.3  Favored     ?     5  43.120     6  0.35     8   0.42  molprobity  1.000  
31  31  m-20      -72.0   -6.2  Favored     ?     4  47.060     8  0.23    11   0.44  molprobity  1.000  
32  32  m-20     -116.4   13.0  Favored     ?     4  46.770     8  0.31    11   0.83  molprobity  1.000  
33  33  m-20      -70.6  138.2  Favored     ?     4  39.260     8  0.38    11   0.79  molprobity  1.000  
34  34  p        -133.4  151.2  Favored     ?     7  36.410     7  0.22    10   0.67  molprobity  1.000  
35  35  m95       -87.9  125.8  Favored     ?    10  33.090    16  0.36    23   0.50  molprobity  1.000  
36  36  mm-40    -120.8  147.0  Favored     ?     6  44.960     9  0.37    13   0.52  molprobity  1.000  
37  37  Cg_endo   -69.1  143.9  Favored     ?     7  47.150     8  0.25    11   0.66  molprobity  1.000  
38  38  tt0       -43.6  -47.2  Favored     ?     6  55.000     9  0.41    12   0.78  molprobity  1.000  
39  39  pt        -51.8  -23.6  Favored     ?    11  57.470     8  0.30    11   0.89  molprobity  1.000  
40  40  m170      -73.0  -14.2  Favored     1     7  60.360    11  0.27    15   0.46  molprobity  1.000  
41  41  mp       -120.2   -4.7  Favored     ?    11  62.820     8  0.26    11   0.65  molprobity  1.000  
42  42  mt-10     -49.5  -28.6  Favored     ?     6  74.950     9  0.38    12   0.68  molprobity  1.000  
43  43  m-20      -95.6   11.0  Favored     ?     4  68.650     8  0.30    11   0.37  molprobity  1.000  
44  44  m        -110.4   62.1  Allowed     ?     5  64.370     6  0.45     8   0.69  molprobity  1.000  
45  45  mttt      -64.4  -29.1  Favored     ?    13  70.080     9  0.25    11   0.72  molprobity  1.000  
46  46  mt-10     -63.7  -43.2  Favored     ?     6  69.390     9  0.30    12   1.07  molprobity  1.000  
47  47  t         -68.6  -44.1  Favored     ?     9  52.850     7  0.30    10   0.59  molprobity  1.000  
48  48  mt        -63.5  -37.5  Favored     ?    11  48.920     8  0.22    11   0.48  molprobity  1.000  
49  49  tp        -68.3  -43.7  Favored     ?    11  57.750     8  0.27    11   0.44  molprobity  1.000  
50  50  tp10      -64.5  -26.5  Favored     ?     6  58.970     9  0.32    12   0.29  molprobity  1.000  
51  51  t80       -79.9  -37.0  Favored     ?     9  44.350    12  0.62    16   0.24  molprobity  1.000  
52  52  ttp85     -62.8  -39.3  Favored     ?    13  67.260    11  0.31    14   0.49  molprobity  1.000  
53  53  mttt      -67.0  -55.0  Favored     ?    13  63.870     9  0.31    11   0.33  molprobity  1.000  
54  54  tttt      -49.3  -33.1  Favored     ?    13  65.530     9  0.28    11   0.41  molprobity  1.000  
55  55  tt        -85.9  -28.6  Favored     ?    11  69.830     8  0.27    11   0.37  molprobity  1.000  
56  56  ?         -70.8  -41.5  Favored     ?     5  72.660     5  0.27     7   0.22  molprobity  1.000  
57  57  pt-20     -76.8    1.6  Favored     ?     6  78.850     9  0.19    12   0.42  molprobity  1.000  
58  58  m120     -113.7  -17.6  Favored     ?     6  83.810     8  0.15    11   0.33  molprobity  1.000  
59  59  tttt      -51.6  103.8  Allowed     ?    13  90.090     9  0.33    11   0.49  molprobity  1.000  
60  60  ?             ?      ?  ?           ?     5  91.850     4  0.63     4   0.50  molprobity  1.000  
61  61  ?             ?      ?  ?           ?     1  86.090     5  0.83     7   0.22  molprobity  1.000  
62  62  ?        -110.1  157.8  Favored     ?     2  83.640     5  0.43     8   0.64  molprobity  1.000  
63  63  Cg_exo    -52.5  168.9  Allowed     ?     7  79.850     8  0.30    11   0.56  molprobity  1.000  
64  64  p         -55.2  -47.2  Favored     ?     5  75.390     6  0.25     8   0.60  molprobity  1.000  
65  65  OUTLIER    72.3  -12.1  Allowed     ?     7  66.570     7  0.63    10   0.71  molprobity  1.000  
66  66  p        -121.0  162.0  Favored     ?     7  61.960     7  0.27    10   0.74  molprobity  1.000  
67  67  ?        -156.1  153.8  Favored     ?     5  60.660     5  0.37     7   0.55  molprobity  1.000  
68  68  ptt180    -80.5  153.8  Favored     ?    13  68.820    10  0.39    11   0.62  molprobity  1.000  
69  69  ?             ?      ?  ?           ?     3  55.400     9  0.72     6  17.34  mogul       0.939  
70  70  ?             ?      ?  ?           ?     3  55.400     9  0.68     6   0.82  mogul       0.939  
71  71  ?             ?      ?  ?           ?     6  55.400     9  0.64     6   0.83  mogul       0.939  
72  72  p         -91.0  -25.4  Favored     ?     9  64.280     7  0.39    10   0.87  molprobity  1.000  
73  73  ?         -62.4  -31.3  Favored     ?     3  75.260     4  0.17     5   0.69  molprobity  1.000  
74  74  ?             ?      ?  ?           ?     2  81.210     4  0.60     4   0.79  molprobity  1.000  
75  75  ?             ?      ?  ?           ?     ?  52.560     ?     ?     ?      ?  ?           1.000  
76  76  ?             ?      ?  ?           ?     ?  50.920     ?     ?     ?      ?  ?           1.000  
77  77  ?             ?      ?  ?           ?     ?  62.090     ?     ?     ?      ?  ?           1.000  
78  78  ?             ?      ?  ?           ?     ?  56.580     ?     ?     ?      ?  ?           1.000  
79  79  ?             ?      ?  ?           ?     ?  45.060     ?     ?     ?      ?  ?           1.000  
80  80  ?             ?      ?  ?           ?     ?  56.110     ?     ?     ?      ?  ?           1.000  
81  81  ?             ?      ?  ?           ?     ?  66.490     ?     ?     ?      ?  ?           1.000  
82  82  ?             ?      ?  ?           ?     ?  45.080     ?     ?     ?      ?  ?           1.000  
83  83  ?             ?      ?  ?           ?     ?  51.140     ?     ?     ?      ?  ?           1.000  
84  84  ?             ?      ?  ?           ?     ?  62.730     ?     ?     ?      ?  ?           1.000  
85  85  ?             ?      ?  ?           ?     ?  53.580     ?     ?     ?      ?  ?           1.000  
86  86  ?             ?      ?  ?           ?     ?  58.940     ?     ?     ?      ?  ?           1.000  
87  87  ?             ?      ?  ?           ?     ?  38.810     ?     ?     ?      ?  ?           1.000  
88  88  ?             ?      ?  ?           ?     ?  51.980     ?     ?     ?      ?  ?           1.000  
89  89  ?             ?      ?  ?           ?     ?  54.220     ?     ?     ?      ?  ?           1.000  
90  90  ?             ?      ?  ?           ?     ?  54.450     ?     ?     ?      ?  ?           1.000  
91  91  ?             ?      ?  ?           ?     ?  62.780     ?     ?     ?      ?  ?           1.000  
92  92  ?             ?      ?  ?           ?     ?  52.700     ?     ?     ?      ?  ?           1.000  
93  93  ?             ?      ?  ?           ?     ?  54.250     ?     ?     ?      ?  ?           1.000  
94  94  ?             ?      ?  ?           ?     ?  52.830     ?     ?     ?      ?  ?           1.000  
95  95  ?             ?      ?  ?           ?     ?  54.660     ?     ?     ?      ?  ?           1.000  
96  96  ?             ?      ?  ?           ?     ?  47.930     ?     ?     ?      ?  ?           1.000  
97  97  ?             ?      ?  ?           ?     ?  67.640     ?     ?     ?      ?  ?           1.000  
98  98  ?             ?      ?  ?           ?     ?  66.770     ?     ?     ?      ?  ?           1.000  
#
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  O      1  0.67  2.28  
 2   2  O      2  0.51  2.11  
 3   3  N      1  0.67  2.28  
 4   3  HB     2  0.51  2.11  
 5  15  HG3    3  0.47  1.97  
 6  20  HD13   3  0.47  1.97  
 7  39  HA     4  0.48  1.96  
 8  41  N      5  0.41  2.36  
 9  41  HD12   5  0.41  2.36  
10  42  HG3    4  0.48  1.96  
11  44  HA     6  0.48  2.13  
12  46  HG3    7  0.78  1.63  
13  46  CG     8  0.43  2.42  
14  49  HG     9  0.73  1.71  
15  52  O     10  0.46  2.15  
16  53  HE3    9  0.73  1.71  
17  55  HG22  10  0.46  2.15  
18  63  HG2    7  0.78  1.63  
19  63  HG2    8  0.43  2.42  
20  64  O     11  0.75  1.87  
21  65  HG22  11  0.75  1.87  
22  68  HG2   12  0.84  1.77  
23  92  O     12  0.84  1.77  
24  93  O      6  0.48  2.13  
#
_pdbx_vrpt_instance_mogul_angle_outliers.ordinal      1
_pdbx_vrpt_instance_mogul_angle_outliers.instance_id  69
_pdbx_vrpt_instance_mogul_angle_outliers.atom_1       CH2
_pdbx_vrpt_instance_mogul_angle_outliers.atom_2       NZ
_pdbx_vrpt_instance_mogul_angle_outliers.atom_3       CH1
_pdbx_vrpt_instance_mogul_angle_outliers.obsval       0.00
_pdbx_vrpt_instance_mogul_angle_outliers.mean         109.73
_pdbx_vrpt_instance_mogul_angle_outliers.numobs       2828
_pdbx_vrpt_instance_mogul_angle_outliers.stdev        2.58
_pdbx_vrpt_instance_mogul_angle_outliers.Zscore       -42.45
_pdbx_vrpt_instance_mogul_angle_outliers.mindiff      84.63
#
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  69  O  C  CA  CB  46.22  53.76  16  24.41  11.45  0.00  
2  70  O  C  CA  CB  46.22  53.76  16  24.41  11.45  0.00  
3  71  O  C  CA  CB  46.22  53.76  16  24.41  11.45  0.00  
#
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   5  0.827  0.333   2.155  
 2   2   8  0.689  0.227   1.212  
 3   3   7  0.850  0.169   0.549  
 4   4  11  0.932  0.138   0.032  
 5   5   9  0.816  0.287   1.546  
 6   6   7  0.959  0.179   0.737  
 7   7   9  0.940  0.173   0.038  
 8   8   9  0.977  0.145  -0.427  
 9   9   8  0.966  0.141  -0.080  
10  10   8  0.968  0.165   0.352  
11  11   8  0.960  0.151   0.078  
12  12   8  0.913  0.158   0.416  
13  13   9  0.908  0.207   0.401  
14  14   7  0.957  0.173   0.685  
15  15   9  0.901  0.177   0.091  
16  16   4  0.925  0.258   2.086  
17  17   4  0.723  0.234   1.698  
18  18   9  0.895  0.283   1.415  
19  19   7  0.970  0.170   0.568  
20  20   8  0.971  0.228   1.512  
21  21  12  0.944  0.143   0.195  
22  22   9  0.949  0.200   0.307  
23  23   7  0.978  0.180   0.756  
24  24  11  0.934  0.130  -0.468  
25  25  14  0.979  0.114  -0.308  
26  26   9  0.958  0.165  -0.160  
27  27   4  0.950  0.137   0.131  
28  28  12  0.954  0.106  -0.527  
29  29   7  0.979  0.152   0.316  
30  30   6  0.976  0.133  -0.030  
31  31   8  0.963  0.114  -0.475  
32  32   8  0.941  0.137  -0.131  
33  33   8  0.968  0.172   0.391  
34  34   7  0.967  0.175   0.721  
35  35  14  0.971  0.165   0.739  
36  36   9  0.956  0.142  -0.372  
37  37   7  0.939  0.134   0.058  
38  38   9  0.915  0.165  -0.067  
39  39   8  0.929  0.212   1.244  
40  40  10  0.874  0.159   0.356  
41  41   8  0.886  0.185   0.720  
42  42   9  0.796  0.269   1.308  
43  43   8  0.800  0.188   0.630  
44  44   6  0.891  0.098  -0.436  
45  45   9  0.882  0.263   1.148  
46  46   9  0.857  0.255   1.123  
47  47   7  0.919  0.140   0.004  
48  48   8  0.937  0.190   0.812  
49  49   8  0.911  0.292   2.691  
50  50   9  0.860  0.220   0.660  
51  51  11  0.960  0.132  -0.081  
52  52  11  0.873  0.193   0.437  
53  53   9  0.956  0.201   0.320  
54  54   9  0.910  0.179   0.027  
55  55   8  0.936  0.227   1.524  
56  56   5  0.965  0.215   1.504  
57  57   9  0.863  0.193   0.303  
58  58   8  0.870  0.163   0.313  
59  59   9  0.699  0.354   2.363  
60  60   5  0.754  0.277   2.607  
61  61   5  0.721  0.261   2.500  
62  62   5  0.751  0.152  -0.239  
63  63   7  0.742  0.208   1.319  
64  64   6  0.845  0.219   1.392  
65  65   7  0.904  0.144   0.176  
66  66   7  0.953  0.171   0.650  
67  67   5  0.830  0.162   0.560  
68  68  11  0.844  0.350   2.693  
69  69  13  0.883  0.180       ?  
70  70  13  0.883  0.180       ?  
71  71  13  0.883  0.180       ?  
72  72   7  0.934  0.159   0.361  
73  73   4  0.672  0.240   1.795  
74  74   5  0.533  0.547   5.523  
75  75   1  0.915  0.261       ?  
76  76   1  0.784  0.543       ?  
77  77   1  0.788  0.257       ?  
78  78   1  0.811  0.282       ?  
79  79   1  0.991  0.186       ?  
80  80   1  0.817  0.449       ?  
81  81   1  0.392  0.331       ?  
82  82   1  0.968  0.315       ?  
83  83   1  0.847  0.116       ?  
84  84   1  0.849  0.372       ?  
85  85   1  0.689  0.423       ?  
86  86   1  0.616  0.419       ?  
87  87   1  0.950  0.196       ?  
88  88   1  0.891  0.334       ?  
89  89   1  0.856  0.670       ?  
90  90   1  0.947  0.184       ?  
91  91   1  0.796  0.108       ?  
92  92   1  0.556  0.526       ?  
93  93   1  0.869  0.147       ?  
94  94   1  0.884  0.216       ?  
95  95   1  0.625  0.113       ?  
96  96   1  0.844  0.235       ?  
97  97   1  0.812  0.410       ?  
98  98   1  0.782  0.204       ?  
#
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                                                                  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  
##
