data_3GM2

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  3GM2
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    3GM2
_pdbx_vrpt_summary.PDB_deposition_date         2009-03-12
_pdbx_vrpt_summary.PDB_revision_number         3
_pdbx_vrpt_summary.PDB_revision_date           2021-11-10
_pdbx_vrpt_summary.report_creation_date        2021-11-02:19:31
_pdbx_vrpt_summary.attempted_validation_steps  molprobity,validation-pack,xtriage,eds,percentiles,writexml,writecif,writepdf
_pdbx_vrpt_summary.ligands_for_buster_report   N
#
_pdbx_vrpt_entity.id           1
_pdbx_vrpt_entity.type         polymer
_pdbx_vrpt_entity.description  "Protein tyrosine kinase 2 beta"
#
_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   x-ray  
2  2.71  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  17.47  141614     ?     ?  
 2  2  1  36.08    3686  2.70  2.74  
 3  1  2   9.39  138981     ?     ?  
 4  2  2  22.64    3622  2.70  2.74  
 5  1  3  38.61  138945     ?     ?  
 6  2  3  66.77    3623  2.70  2.74  
 7  1  4   4.13  127900     ?     ?  
 8  2  4   3.21    3276  2.70  2.74  
 9  1  5   2.13  130704     ?     ?  
10  2  5   3.27    3359  2.70  2.74  
#
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   9.39  
2  4  2  A  1  1  A  22.64  
3  5  3  A  1  1  A  38.61  
4  6  3  A  1  1  A  66.77  
5  7  4  A  1  1  A   4.13  
6  8  4  A  1  1  A   3.21  
#
_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      0.66
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ       0.53
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ   915
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ  1248
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  1.60
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       3.19
_pdbx_vrpt_summary_geometry.clashscore                     13.74
_pdbx_vrpt_summary_geometry.num_H_reduce                   911
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 915
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.53
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                1248
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.66
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            77.478
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         85.302
_pdbx_vrpt_summary_diffraction.I_over_sigma              6.40(2.73A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        6805
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.336
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.495
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.330
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.912
_pdbx_vrpt_summary_diffraction.DCC_R                     0.30
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.32
_pdbx_vrpt_summary_diffraction.EDS_R                     0.31
_pdbx_vrpt_summary_diffraction.EDS_res_high              2.71
_pdbx_vrpt_summary_diffraction.EDS_res_low               40.52
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[99.224,99.224,67.213,0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.361
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 8.72% 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         95.77
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      715
_pdbx_vrpt_summary_diffraction.percent_free_reflections  10.51
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     11.81
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       2.71
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        40.52
_pdbx_vrpt_summary_diffraction.PDB_R                     0.26
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.29
#
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   19  ARG  A   875  .  ?        2  
  2  1  1  A   20  THR  A   876  .  ?        ?  
  3  1  1  A   21  ASP  A   877  .  ?        ?  
  4  1  1  A   22  ASP  A   878  .  ?        3  
  5  1  1  A   23  LEU  A   879  .  ?        ?  
  6  1  1  A   24  VAL  A   880  .  ?        2  
  7  1  1  A   25  TYR  A   881  .  ?        ?  
  8  1  1  A   26  LEU  A   882  .  ?        ?  
  9  1  1  A   27  ASN  A   883  .  ?        ?  
 10  1  1  A   28  VAL  A   884  .  ?        ?  
 11  1  1  A   29  MET  A   885  .  ?        ?  
 12  1  1  A   30  GLU  A   886  .  ?        1  
 13  1  1  A   31  LEU  A   887  .  ?        ?  
 14  1  1  A   32  VAL  A   888  .  ?        ?  
 15  1  1  A   33  ARG  A   889  .  ?        ?  
 16  1  1  A   34  ALA  A   890  .  ?        ?  
 17  1  1  A   35  VAL  A   891  .  ?        ?  
 18  1  1  A   36  LEU  A   892  .  ?        ?  
 19  1  1  A   37  GLU  A   893  .  ?        ?  
 20  1  1  A   38  LEU  A   894  .  ?        ?  
 21  1  1  A   39  LYS  A   895  .  ?        ?  
 22  1  1  A   40  ASN  A   896  .  ?        ?  
 23  1  1  A   41  GLU  A   897  .  ?        ?  
 24  1  1  A   42  LEU  A   898  .  ?        1  
 25  1  1  A   43  ALA  A   899  .  ?        ?  
 26  1  1  A   44  GLN  A   900  .  ?        ?  
 27  1  1  A   45  LEU  A   901  .  ?        ?  
 28  1  1  A   46  PRO  A   902  .  ?        ?  
 29  1  1  A   47  PRO  A   903  .  ?        ?  
 30  1  1  A   48  GLU  A   904  .  ?        ?  
 31  1  1  A   49  GLY  A   905  .  ?        ?  
 32  1  1  A   50  TYR  A   906  .  ?        ?  
 33  1  1  A   51  VAL  A   907  .  ?        ?  
 34  1  1  A   52  VAL  A   908  .  ?        ?  
 35  1  1  A   53  VAL  A   909  .  ?        ?  
 36  1  1  A   54  VAL  A   910  .  ?        ?  
 37  1  1  A   55  LYS  A   911  .  ?        ?  
 38  1  1  A   56  ASN  A   912  .  ?        ?  
 39  1  1  A   57  VAL  A   913  .  ?        ?  
 40  1  1  A   58  GLY  A   914  .  ?        ?  
 41  1  1  A   59  LEU  A   915  .  ?        ?  
 42  1  1  A   60  THR  A   916  .  ?        ?  
 43  1  1  A   61  LEU  A   917  .  ?        2  
 44  1  1  A   62  ARG  A   918  .  ?        ?  
 45  1  1  A   63  LYS  A   919  .  ?        1  
 46  1  1  A   64  LEU  A   920  .  ?        ?  
 47  1  1  A   65  ILE  A   921  .  ?        ?  
 48  1  1  A   66  GLY  A   922  .  ?        ?  
 49  1  1  A   67  SER  A   923  .  ?        ?  
 50  1  1  A   68  VAL  A   924  .  ?        2  
 51  1  1  A   69  ASP  A   925  .  ?        ?  
 52  1  1  A   70  ASP  A   926  .  ?        ?  
 53  1  1  A   71  LEU  A   927  .  ?        2  
 54  1  1  A   72  LEU  A   928  .  ?        1  
 55  1  1  A   73  PRO  A   929  .  ?        1  
 56  1  1  A   74  SER  A   930  .  ?        ?  
 57  1  1  A   75  LEU  A   931  .  ?        1  
 58  1  1  A   76  PRO  A   932  .  ?        4  
 59  1  1  A   77  SER  A   933  .  ?        ?  
 60  1  1  A   78  SER  A   934  .  ?        5  
 61  1  1  A   79  SER  A   935  .  ?        ?  
 62  1  1  A   80  ARG  A   936  .  ?        2  
 63  1  1  A   81  THR  A   937  .  ?        ?  
 64  1  1  A   82  GLU  A   938  .  ?        ?  
 65  1  1  A   83  ILE  A   939  .  ?        ?  
 66  1  1  A   84  GLU  A   940  .  ?        ?  
 67  1  1  A   85  GLY  A   941  .  ?        ?  
 68  1  1  A   86  THR  A   942  .  ?        1  
 69  1  1  A   87  GLN  A   943  .  ?        ?  
 70  1  1  A   88  LYS  A   944  .  ?        ?  
 71  1  1  A   89  LEU  A   945  .  ?        1  
 72  1  1  A   90  LEU  A   946  .  ?        3  
 73  1  1  A   91  ASN  A   947  .  ?        ?  
 74  1  1  A   92  LYS  A   948  .  ?        ?  
 75  1  1  A   93  ASP  A   949  .  ?        1  
 76  1  1  A   94  LEU  A   950  .  ?        2  
 77  1  1  A   95  ALA  A   951  .  ?        ?  
 78  1  1  A   96  GLU  A   952  .  ?        ?  
 79  1  1  A   97  LEU  A   953  .  ?        ?  
 80  1  1  A   98  ILE  A   954  .  ?        ?  
 81  1  1  A   99  ASN  A   955  .  ?        ?  
 82  1  1  A  100  LYS  A   956  .  ?        ?  
 83  1  1  A  101  MET  A   957  .  ?        ?  
 84  1  1  A  102  ARG  A   958  .  ?        ?  
 85  1  1  A  103  LEU  A   959  .  ?        ?  
 86  1  1  A  104  ALA  A   960  .  ?        ?  
 87  1  1  A  105  GLN  A   961  .  ?        ?  
 88  1  1  A  106  GLN  A   962  .  ?        ?  
 89  1  1  A  107  ASN  A   963  .  ?        ?  
 90  1  1  A  108  ALA  A   964  .  ?        ?  
 91  1  1  A  109  VAL  A   965  .  ?        ?  
 92  1  1  A  110  THR  A   966  .  ?        ?  
 93  1  1  A  111  SER  A   967  .  ?        ?  
 94  1  1  A  112  LEU  A   968  .  ?        ?  
 95  1  1  A  113  SER  A   969  .  ?        ?  
 96  1  1  A  114  GLU  A   970  .  ?        ?  
 97  1  1  A  115  GLU  A   971  .  ?        1  
 98  1  1  A  116  CYS  A   972  .  ?        ?  
 99  1  1  A  117  LYS  A   973  .  ?        ?  
100  1  1  A  118  ARG  A   974  .  ?        1  
101  1  1  A  119  GLN  A   975  .  ?        ?  
102  1  1  A  120  MET  A   976  .  ?        1  
103  1  1  A  121  LEU  A   977  .  ?        ?  
104  1  1  A  122  THR  A   978  .  ?        2  
105  1  1  A  123  ALA  A   979  .  ?        ?  
106  1  1  A  124  SER  A   980  .  ?        ?  
107  1  1  A  125  HIS  A   981  .  ?        ?  
108  1  1  A  126  THR  A   982  .  ?        2  
109  1  1  A  127  LEU  A   983  .  ?        2  
110  1  1  A  128  ALA  A   984  .  ?        ?  
111  1  1  A  129  VAL  A   985  .  ?        ?  
112  1  1  A  130  ASP  A   986  .  ?        ?  
113  1  1  A  131  ALA  A   987  .  ?        ?  
114  1  1  A  132  LYS  A   988  .  ?        ?  
115  1  1  A  133  ASN  A   989  .  ?        ?  
116  1  1  A  134  LEU  A   990  .  ?        3  
117  1  1  A  135  LEU  A   991  .  ?        ?  
118  1  1  A  136  ASP  A   992  .  ?        ?  
119  1  1  A  137  ALA  A   993  .  ?        ?  
120  1  1  A  138  VAL  A   994  .  ?        ?  
121  1  1  A  139  ASP  A   995  .  ?        ?  
122  1  1  A  140  GLN  A   996  .  ?        ?  
123  1  1  A  141  ALA  A   997  .  ?        ?  
124  1  1  A  142  LYS  A   998  .  ?        ?  
125  1  1  A  143  VAL  A   999  .  ?        ?  
126  1  1  A  144  LEU  A  1000  .  ?        ?  
127  1  1  A  145  ALA  A  1001  .  ?        ?  
#
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  128.700   5  0.74   7  0.52  molprobity  1.000  
  2    2  ?        -127.2  -12.9  Favored     ?   2  131.570   5  0.25   7  0.55  molprobity  1.000  
  3    3  ?        -163.3   12.1  Allowed     ?   2  122.350   5  0.22   7  0.17  molprobity  1.000  
  4    4  t0        -71.8  115.5  Favored     ?   4  130.860   8  0.41  11  0.44  molprobity  1.000  
  5    5  ?         -80.8  -51.0  Favored     ?   2   92.270   5  0.39   7  0.19  molprobity  1.000  
  6    6  p         -51.2  -30.0  Favored     ?   9  103.600   7  0.31  10  0.50  molprobity  1.000  
  7    7  t80       -73.7  -59.2  Favored     ?   9   96.990  13  0.49  18  0.34  molprobity  1.000  
  8    8  ?         -48.7  -41.9  Favored     ?   2   77.930   5  0.42   7  0.64  molprobity  1.000  
  9    9  m120      -60.3  -49.3  Favored     1   6   93.050   8  0.23  11  0.55  molprobity  1.000  
 10   10  t         -59.2  -44.4  Favored     ?   9   89.910   7  0.74  10  0.94  molprobity  1.000  
 11   11  OUTLIER   -63.1  -20.7  Favored     ?   9   92.380   8  0.88  10  0.50  molprobity  1.000  
 12   12  mt-10     -76.2  -48.6  Favored     ?   6  109.070   9  0.60  12  0.57  molprobity  1.000  
 13   13  tp        -59.7  -44.3  Favored     ?  11   82.000   8  0.30  11  0.82  molprobity  1.000  
 14   14  t         -59.1  -43.5  Favored     ?   9   77.240   7  0.51  10  0.74  molprobity  1.000  
 15   15  ttt180    -64.2  -42.2  Favored     ?  13  107.750  11  0.42  14  0.73  molprobity  1.000  
 16   16  ?         -62.6  -38.1  Favored     ?   5   78.060   5  0.61   7  0.26  molprobity  1.000  
 17   17  t         -69.9  -34.0  Favored     ?   9   75.150   7  0.90  10  0.66  molprobity  1.000  
 18   18  tp        -68.8  -30.7  Favored     ?  11   83.990   8  0.49  11  0.69  molprobity  1.000  
 19   19  ?         -78.5  -11.8  Favored     ?   2   71.930   5  0.18   7  0.75  molprobity  1.000  
 20   20  mt        -55.5  -52.3  Favored     ?  11   88.280   8  0.42  11  1.23  molprobity  1.000  
 21   21  tttm      -48.2  -51.1  Favored     ?  13   88.310   9  0.68  11  0.59  molprobity  1.000  
 22   22  t-20      -63.6  -39.0  Favored     ?   6   96.210   8  0.47  11  0.43  molprobity  1.000  
 23   23  mt-10     -64.0  -40.8  Favored     ?   6   93.670   9  0.73  12  0.81  molprobity  1.000  
 24   24  mt        -66.4  -17.6  Favored     ?  11   92.560   8  0.50  11  0.73  molprobity  1.000  
 25   25  ?         -94.2  -19.8  Favored     ?   5   96.210   5  0.41   7  0.42  molprobity  1.000  
 26   26  mt-30    -108.5   -9.6  Favored     1   8  110.030   9  0.55  12  0.51  molprobity  1.000  
 27   27  mt       -107.8  146.9  Favored     ?  11   89.200   8  0.55  12  0.77  molprobity  1.000  
 28   28  Cg_endo   -73.7  171.2  Favored     ?   7   92.490   8  0.31  12  1.09  molprobity  1.000  
 29   29  Cg_exo    -53.2  -46.0  Favored     ?   7   92.290   8  0.29  11  0.51  molprobity  1.000  
 30   30  ?         -50.2  -40.5  Favored     ?   2   85.320   5  0.22   7  0.23  molprobity  1.000  
 31   31  ?         -71.3  -16.8  Favored     ?   3   94.120   4  0.53   5  1.21  molprobity  1.000  
 32   32  m-30      -56.5  -35.4  Favored     ?   9   91.340  13  0.75  18  0.71  molprobity  1.000  
 33   33  t         -58.1  -50.9  Favored     ?   9   86.170   7  0.73  10  1.30  molprobity  1.000  
 34   34  m         -59.2  -43.7  Favored     ?   9   86.320   7  1.27  10  0.60  molprobity  1.000  
 35   35  t         -56.6  -49.0  Favored     ?   9   79.610   7  1.78  10  1.22  molprobity  1.000  
 36   36  t         -67.2  -29.2  Favored     ?   9   84.240   7  0.65  10  0.70  molprobity  1.000  
 37   37  ttmt      -65.5  -33.4  Favored     ?  13  108.980   9  0.41  11  0.54  molprobity  1.000  
 38   38  t30       -67.3  -52.8  Favored     ?   6  104.900   8  0.61  11  0.58  molprobity  1.000  
 39   39  t         -50.9  -45.6  Favored     ?   9   81.500   7  0.88  10  0.96  molprobity  1.000  
 40   40  ?         -53.4  -56.1  Favored     ?   3   79.610   4  0.22   5  0.32  molprobity  1.000  
 41   41  mt        -62.8  -41.6  Favored     ?  11   83.190   8  0.64  11  1.02  molprobity  1.000  
 42   42  m         -61.9  -37.3  Favored     ?   7   83.970   7  0.56  10  0.88  molprobity  1.000  
 43   43  tp        -63.1  -53.5  Favored     ?  11   85.850   8  0.39  11  0.43  molprobity  1.000  
 44   44  ?         -54.0  -41.5  Favored     ?   2   73.350   5  0.40   7  0.39  molprobity  1.000  
 45   45  ttmt      -57.1  -56.1  Favored     ?  13   90.220   9  0.37  11  0.60  molprobity  1.000  
 46   46  tp        -52.4  -62.5  Allowed     ?  11   92.890   8  0.28  11  0.73  molprobity  1.000  
 47   47  mt        -45.9  -32.0  Allowed     ?  11  100.450   8  0.39  11  0.55  molprobity  1.000  
 48   48  ?         -75.1  -49.2  Favored     ?   3  104.750   4  0.41   5  0.29  molprobity  1.000  
 49   49  p         -61.0  -24.7  Favored     ?   5  111.640   6  0.43   8  0.25  molprobity  1.000  
 50   50  t         -77.0  -44.1  Favored     ?   9  112.390   7  0.36  10  0.53  molprobity  1.000  
 51   51  m-20      -55.2  -31.7  Favored     ?   4  126.920   8  0.25  11  0.73  molprobity  1.000  
 52   52  m-20      -73.6  -48.9  Favored     ?   4  150.440   8  0.24  11  0.43  molprobity  1.000  
 53   53  tt        -84.2   18.2  Favored     ?  11  127.630   8  0.40  11  1.21  molprobity  1.000  
 54   54  tp        -84.4  -42.3  Allowed     ?  11  131.480   8  0.33  12  0.56  molprobity  1.000  
 55   55  Cg_endo   -70.5  -13.4  Favored     ?   7  154.110   8  0.27  11  0.56  molprobity  1.000  
 56   56  t         -82.4   -0.3  Favored     ?   5  144.570   6  0.27   8  0.47  molprobity  1.000  
 57   57  mt       -112.0  162.2  Favored     ?  11  140.500   8  0.55  12  0.77  molprobity  1.000  
 58   58  Cg_endo   -49.4  119.2  Favored     ?   7  153.300   8  0.32  11  1.02  molprobity  1.000  
 59   59  p         -59.0   15.0  OUTLIER     ?   5  171.640   6  0.45   8  0.23  molprobity  1.000  
 60   60  t        -102.9  -68.4  Allowed     ?   5  157.830   6  0.25   8  0.41  molprobity  1.000  
 61   61  p         -61.6   17.7  OUTLIER     ?   5  153.030   6  0.34   8  0.30  molprobity  1.000  
 62   62  ?         -77.7  -39.9  Favored     ?   2  114.090   5  0.30   7  0.16  molprobity  1.000  
 63   63  ?         -64.4  -21.1  Favored     ?   2  103.690   5  0.33   7  0.60  molprobity  1.000  
 64   64  ?         -77.9  -44.9  Favored     ?   2  108.500   5  0.49   7  0.38  molprobity  1.000  
 65   65  mt        -71.5  -43.4  Favored     ?  11  117.290   8  0.42  11  0.59  molprobity  1.000  
 66   66  ?         -58.9  -27.4  Favored     ?   2   98.510   5  0.25   7  0.68  molprobity  1.000  
 67   67  ?         -63.5  -45.3  Favored     ?   3  109.080   4  0.24   5  0.34  molprobity  1.000  
 68   68  p         -74.8  -36.1  Favored     ?   7  113.750   7  0.75  10  0.78  molprobity  1.000  
 69   69  mt-30     -56.6  -46.0  Favored     ?   8  114.690   9  0.48  12  0.50  molprobity  1.000  
 70   70  tttt      -65.6  -29.9  Favored     ?  13  132.750   9  0.47  11  0.60  molprobity  1.000  
 71   71  tp        -63.8  -51.1  Favored     ?  11  105.040   8  0.22  11  0.50  molprobity  1.000  
 72   72  mt        -50.2  -49.7  Favored     ?  11   93.120   8  0.23  11  0.85  molprobity  1.000  
 73   73  m-20      -60.6  -35.4  Favored     ?   6   99.610   8  0.49  11  0.52  molprobity  1.000  
 74   74  ?         -62.1  -48.2  Favored     ?   2   79.980   5  0.30   7  0.79  molprobity  1.000  
 75   75  m-20      -53.1  -47.1  Favored     ?   4  108.440   8  0.58  11  0.83  molprobity  1.000  
 76   76  tp        -64.9  -45.1  Favored     ?  11   83.560   8  0.36  11  0.81  molprobity  1.000  
 77   77  ?         -56.6  -37.4  Favored     ?   5   81.620   5  0.30   7  0.36  molprobity  1.000  
 78   78  mm-40     -73.7  -43.6  Favored     ?   6  114.980   9  0.96  12  0.41  molprobity  1.000  
 79   79  tp        -55.2  -42.2  Favored     ?  11   88.000   8  0.45  11  0.75  molprobity  1.000  
 80   80  mt        -62.7  -46.5  Favored     ?  11   85.690   8  0.38  11  0.65  molprobity  1.000  
 81   81  m-20      -55.9  -50.5  Favored     ?   6  107.060   8  0.71  11  0.54  molprobity  1.000  
 82   82  mptt      -56.5  -46.3  Favored     ?  13   95.300   9  0.50  11  0.60  molprobity  1.000  
 83   83  tmm?      -57.9  -39.5  Favored     ?   9   93.780   8  0.46  10  0.43  molprobity  1.000  
 84   84  mtm-85    -62.9  -38.1  Favored     ?  13  115.330  11  0.46  14  0.42  molprobity  1.000  
 85   85  mt        -66.2  -43.4  Favored     ?  11   92.210   8  0.43  11  0.84  molprobity  1.000  
 86   86  ?         -53.1  -31.4  Favored     ?   5  101.030   5  0.31   7  0.35  molprobity  1.000  
 87   87  mt-30     -79.9  -57.4  Favored     ?   8  111.240   9  0.46  12  0.49  molprobity  1.000  
 88   88  ?         -49.4  -22.4  Allowed     ?   2   95.150   5  0.20   7  0.35  molprobity  1.000  
 89   89  m-80     -116.1   28.1  Favored     ?   6  105.580   8  0.30  11  0.68  molprobity  1.000  
 90   90  ?         -54.5  -42.9  Favored     ?   5  112.390   5  0.41   7  0.61  molprobity  1.000  
 91   91  m        -109.0   22.1  Favored     ?   9  119.270   7  0.34  10  0.91  molprobity  1.000  
 92   92  p        -103.2  177.4  Favored     ?   7  104.100   7  0.55  10  1.00  molprobity  1.000  
 93   93  p         -85.1   14.3  Favored     ?   5   96.590   6  0.38   8  0.32  molprobity  1.000  
 94   94  mt       -109.4   13.7  Favored     ?  11   97.350   8  0.24  11  0.71  molprobity  1.000  
 95   95  t         -57.2  -60.5  Favored     ?   5  109.710   6  0.37   8  0.39  molprobity  1.000  
 96   96  ?         -51.4  -45.4  Favored     ?   2   82.740   5  0.50   7  0.61  molprobity  1.000  
 97   97  tp10      -67.3  -35.9  Favored     ?   6  104.920   9  0.52  12  0.50  molprobity  1.000  
 98   98  ?         -63.4  -48.5  Favored     ?   2   75.060   5  0.33   7  0.41  molprobity  1.000  
 99   99  mttt      -61.5  -42.4  Favored     ?  13   90.850   9  0.50  11  0.51  molprobity  1.000  
100  100  ttm180    -58.1  -37.6  Favored     ?  13  105.660  11  0.46  14  0.66  molprobity  1.000  
101  101  mt-30     -78.1  -24.6  Favored     ?   8   89.770   9  0.33  12  0.44  molprobity  1.000  
102  102  ttt       -67.7  -55.0  Favored     ?   9   89.440   8  0.99  10  0.65  molprobity  1.000  
103  103  mt        -54.8  -42.5  Favored     ?  11   84.040   8  0.67  11  0.46  molprobity  1.000  
104  104  m         -59.3  -41.4  Favored     ?   7   88.240   7  0.45  10  0.78  molprobity  1.000  
105  105  ?         -65.1  -45.2  Favored     ?   5   79.180   5  0.46   7  0.41  molprobity  1.000  
106  106  p         -57.8  -45.4  Favored     ?   5   84.800   6  0.45   8  0.35  molprobity  1.000  
107  107  t60       -57.9  -43.5  Favored     ?   7   84.990  11  0.42  15  0.66  molprobity  1.000  
108  108  OUTLIER   -69.7  -22.8  Favored     ?   7   86.440   7  0.30  10  0.45  molprobity  1.000  
109  109  tt        -71.7  -36.4  Favored     ?  11   88.680   8  0.61  11  0.67  molprobity  1.000  
110  110  ?         -71.8  -40.4  Favored     ?   5   80.400   5  0.53   7  0.66  molprobity  1.000  
111  111  t         -61.3  -42.1  Favored     ?   9   80.450   7  0.73  10  0.90  molprobity  1.000  
112  112  m-20      -71.0  -30.1  Favored     ?   4  100.250   8  0.32  11  0.54  molprobity  1.000  
113  113  ?         -64.2  -47.4  Favored     ?   5   94.680   5  0.63   7  0.65  molprobity  1.000  
114  114  ttpp      -58.7  -40.9  Favored     ?  13  102.450   9  0.59  11  0.41  molprobity  1.000  
115  115  m-20      -61.8  -35.9  Favored     ?   6  101.950   8  0.32  11  0.52  molprobity  1.000  
116  116  tt        -65.7  -45.6  Favored     ?  11  108.580   8  0.33  11  0.47  molprobity  1.000  
117  117  tp        -51.7  -54.8  Favored     ?  11   93.710   8  0.45  11  0.56  molprobity  1.000  
118  118  m-20      -55.6  -48.3  Favored     ?   4  104.950   8  0.46  11  0.46  molprobity  1.000  
119  119  ?         -54.4  -61.5  Favored     ?   5  104.740   5  0.24   7  0.60  molprobity  1.000  
120  120  m         -57.5  -25.8  Favored     ?   9  109.730   7  0.71  10  0.46  molprobity  1.000  
121  121  OUTLIER   -65.6  -64.4  Allowed     ?   4  128.330   8  0.36  11  0.75  molprobity  1.000  
122  122  mt-30     -55.7  -19.4  Favored     ?   8  133.980   9  0.67  12  0.80  molprobity  1.000  
123  123  ?         -74.8   21.2  Allowed     ?   5  135.420   5  0.29   7  0.37  molprobity  1.000  
124  124  ?        -101.7   18.1  Favored     ?   2  128.270   5  0.23   7  1.16  molprobity  1.000  
125  125  p         -73.3  -17.7  Favored     ?   9  149.470   7  0.80  10  0.51  molprobity  1.000  
126  126  ?         -76.8  -64.4  Allowed     ?   2  138.950   5  0.36   7  0.21  molprobity  1.000  
127  127  ?             ?      ?  ?           ?   5  173.910   4  1.31   4  1.17  molprobity  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  CB     1  0.44  2.96  
 2    1  CB     2  0.43  2.48  
 3    4  CB     1  0.44  2.96  
 4    4  OD1    3  0.44  2.17  
 5    4  HB3    2  0.43  2.48  
 6    6  HG23   4  0.53  1.91  
 7    6  HG12   3  0.44  2.17  
 8   12  OE2    5  0.69  2.25  
 9   24  HD21   6  0.46  2.46  
10   43  HD23   7  0.80  1.64  
11   43  HD23   8  0.55  2.35  
12   45  NZ     5  0.69  2.25  
13   50  HG23   4  0.53  1.91  
14   50  HG21   9  0.52  1.91  
15   53  O     10  0.52  2.09  
16   53  HD23  10  0.52  2.09  
17   54  N     11  0.45  2.32  
18   55  HD2   11  0.45  2.32  
19   57  HB3   12  0.72  1.71  
20   58  HD2   12  0.72  1.71  
21   58  C     13  0.64  2.01  
22   58  C     14  0.44  2.67  
23   58  O     15  0.50  2.45  
24   60  H     13  0.64  2.01  
25   60  C     16  0.57  2.07  
26   60  N     15  0.50  2.45  
27   60  N     14  0.44  2.67  
28   60  O     17  0.42  2.52  
29   62  H     16  0.57  2.07  
30   62  N     17  0.42  2.52  
31   68  O     18  0.41  2.20  
32   71  HB3   18  0.41  2.20  
33   72  HA    19  0.45  2.16  
34   72  CD1   20  0.41  2.50  
35   72  HD12  21  0.41  2.01  
36   75  OD2   19  0.45  2.16  
37   76  HD22   7  0.80  1.64  
38   76  CD2    8  0.55  2.35  
39   97  OE1   22  0.58  2.36  
40  100  NH1   22  0.58  2.36  
41  102  CE     6  0.46  2.46  
42  104  O     23  0.67  1.95  
43  104  O     24  0.49  2.60  
44  108  HG22  23  0.67  1.95  
45  108  CG2   24  0.49  2.60  
46  109  HD23  25  0.44  2.17  
47  109  O     25  0.44  2.17  
48  116  HD21   9  0.52  1.91  
49  116  HD12  20  0.41  2.50  
50  116  HD12  21  0.41  2.01  
#
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  0.339  0.372   2.091  
  2    2   5  0.772  0.182   0.187  
  3    3   5  0.384  0.264   1.143  
  4    4   8  0.871  0.156  -0.299  
  5    5   5  0.820  0.161  -0.435  
  6    6   7  0.983  0.239   0.843  
  7    7  12  0.956  0.140  -0.549  
  8    8   5  0.960  0.123  -0.974  
  9    9   8  0.949  0.223   0.639  
 10   10   7  0.985  0.267   1.254  
 11   11   8  0.986  0.208   0.526  
 12   12   9  0.938  0.285   0.945  
 13   13   8  0.987  0.270   1.111  
 14   14   7  0.988  0.276   1.386  
 15   15  11  0.962  0.320   1.443  
 16   16   5  0.990  0.232   0.941  
 17   17   7  0.971  0.246   0.946  
 18   18   8  0.977  0.265   1.040  
 19   19   5  0.927  0.214   0.090  
 20   20   8  0.965  0.265   1.040  
 21   21   9  0.929  0.318   1.112  
 22   22   8  0.935  0.193   0.227  
 23   23   9  0.945  0.175  -0.379  
 24   24   8  0.957  0.216   0.345  
 25   25   5  0.971  0.150  -0.246  
 26   26   9  0.941  0.134  -0.764  
 27   27   8  0.989  0.236   0.628  
 28   28   7  0.975  0.157  -0.142  
 29   29   7  0.977  0.244   1.109  
 30   30   5  0.831  0.200  -0.078  
 31   31   4  0.963  0.181   0.271  
 32   32  12  0.917  0.286   1.677  
 33   33   7  0.979  0.191   0.139  
 34   34   7  0.975  0.222   0.594  
 35   35   7  0.962  0.253   1.048  
 36   36   7  0.988  0.250   1.004  
 37   37   9  0.907  0.334   1.294  
 38   38   8  0.842  0.366   2.603  
 39   39   7  0.990  0.258   1.122  
 40   40   4  0.979  0.221   0.802  
 41   41   8  0.974  0.292   1.423  
 42   42   7  0.970  0.247   1.134  
 43   43   8  0.982  0.220   0.401  
 44   44   5  0.933  0.181  -0.291  
 45   45   9  0.975  0.196  -0.279  
 46   46   8  0.987  0.262   0.997  
 47   47   8  0.967  0.232   0.637  
 48   48   4  0.894  0.142  -0.247  
 49   49   6  0.948  0.160  -0.079  
 50   50   7  0.963  0.235   0.784  
 51   51   8  0.927  0.142  -0.486  
 52   52   8  0.868  0.282   1.383  
 53   53   8  0.919  0.410   3.096  
 54   54   8  0.956  0.389   2.799  
 55   55   7  0.964  0.245   1.124  
 56   56   6  0.890  0.439   3.806  
 57   57   8  0.954  0.634   6.274  
 58   58   7  0.908  0.164  -0.042  
 59   59   6  0.845  0.406   3.347  
 60   60   6  0.913  0.179   0.185  
 61   61   6  0.943  0.368   2.818  
 62   62   5  0.750  0.261   0.707  
 63   63   5  0.777  0.125  -0.644  
 64   64   5  0.798  0.159  -0.572  
 65   65   8  0.983  0.337   2.193  
 66   66   5  0.816  0.185  -0.259  
 67   67   4  0.968  0.080  -1.070  
 68   68   7  0.981  0.201   0.464  
 69   69   9  0.935  0.368   2.172  
 70   70   9  0.937  0.538   3.620  
 71   71   8  0.974  0.179  -0.180  
 72   72   8  0.977  0.210   0.260  
 73   73   8  0.961  0.144  -0.446  
 74   74   5  0.848  0.174  -0.530  
 75   75   8  0.947  0.248   0.929  
 76   76   8  0.992  0.203   0.160  
 77   77   5  0.977  0.151  -0.232  
 78   78   9  0.915  0.244   0.451  
 79   79   8  0.983  0.192   0.004  
 80   80   8  0.984  0.168  -0.311  
 81   81   8  0.932  0.191   0.199  
 82   82   9  0.952  0.304   0.952  
 83   83   8  0.971  0.173   0.007  
 84   84  11  0.929  0.286   1.019  
 85   85   8  0.986  0.240   0.685  
 86   86   5  0.985  0.162  -0.072  
 87   87   9  0.950  0.182  -0.162  
 88   88   5  0.869  0.154  -0.513  
 89   89   8  0.955  0.253   1.051  
 90   90   5  0.942  0.180   0.188  
 91   91   7  0.967  0.176  -0.081  
 92   92   7  0.976  0.195   0.376  
 93   93   6  0.960  0.237   0.993  
 94   94   8  0.983  0.411   3.111  
 95   95   6  0.940  0.121  -0.623  
 96   96   5  0.879  0.151  -0.668  
 97   97   9  0.949  0.228   0.259  
 98   98   5  0.845  0.240   1.542  
 99   99   9  0.962  0.186  -0.393  
100  100  11  0.922  0.221   0.208  
101  101   9  0.957  0.205   0.127  
102  102   8  0.981  0.185   0.185  
103  103   8  0.975  0.235   0.614  
104  104   7  0.972  0.198   0.420  
105  105   5  0.978  0.210   0.622  
106  106   6  0.989  0.183   0.241  
107  107  10  0.975  0.175   0.014  
108  108   7  0.970  0.206   0.536  
109  109   8  0.988  0.229   0.529  
110  110   5  0.990  0.201   0.492  
111  111   7  0.991  0.204   0.330  
112  112   8  0.963  0.203   0.328  
113  113   5  0.985  0.222   0.796  
114  114   9  0.951  0.213  -0.086  
115  115   8  0.970  0.138  -0.529  
116  116   8  0.982  0.280   1.252  
117  117   8  0.968  0.191  -0.010  
118  118   8  0.951  0.179   0.008  
119  119   5  0.976  0.159  -0.116  
120  120   7  0.975  0.268   1.268  
121  121   8  0.948  0.136  -0.566  
122  122   9  0.891  0.180  -0.187  
123  123   5  0.919  0.229   0.897  
124  124   5  0.799  0.168  -0.599  
125  125   7  0.838  0.457   4.040  
126  126   5  0.666  0.377   2.628  
127  127   5  0.804  0.345   2.576  
#
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  eds          2.23.2                                                                Y  
3  dcc          "2.26  (2020-01-20)"                                                  Y  
4  xtriage      1.13                                                                  Y  
5  percentiles  "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
