data_1REU

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  1REU
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    1REU
_pdbx_vrpt_summary.PDB_deposition_date         2003-11-07
_pdbx_vrpt_summary.PDB_revision_number         5
_pdbx_vrpt_summary.PDB_revision_date           2023-08-23
_pdbx_vrpt_summary.report_creation_date        2023-08-14:23:02
_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      "bone morphogenetic protein 2"  
2  non-polymer  (4S)-2-METHYL-2,4-PENTANEDIOL  
3  water        water  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  2  
C  2  
D  3  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all   x-ray  
2  2.65  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      
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  12.38  141614     ?     ?  
 2  2  1  16.74    1374  2.64  2.68  
 3  1  2   7.15  138981     ?     ?  
 4  2  2  10.45    1349  2.64  2.68  
 5  1  3  21.86  138945     ?     ?  
 6  2  3  34.47    1349  2.64  2.68  
 7  1  4  29.29  127900     ?     ?  
 8  2  4  25.87    1318  2.64  2.68  
 9  1  5  46.99  130704     ?     ?  
10  2  5  75.60    1332  2.64  2.68  
#
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   7.15  
2  4  2  A  1  1  A  10.45  
3  5  3  A  1  1  A  21.86  
4  6  3  A  1  1  A  34.47  
5  7  4  A  1  1  A  29.29  
6  8  4  A  1  1  A  25.87  
#
_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      0.58
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ       0.35
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ   828
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ  1130
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  1.98
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       5.43
_pdbx_vrpt_summary_geometry.clashscore                     16.81
_pdbx_vrpt_summary_geometry.num_H_reduce                   786
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 828
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.35
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                1130
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.58
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.Babinet_b                 127.532
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            47.875
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         59.643
_pdbx_vrpt_summary_diffraction.I_over_sigma              1.91(2.50A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        5618
_pdbx_vrpt_summary_diffraction.Babinet_k                 0.257
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.304
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.508
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.343
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.950
_pdbx_vrpt_summary_diffraction.DCC_R                     0.21
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.24
_pdbx_vrpt_summary_diffraction.EDS_R                     0.22
_pdbx_vrpt_summary_diffraction.EDS_res_high              2.50
_pdbx_vrpt_summary_diffraction.EDS_res_low               19.76
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[67.752,67.752,51.380,-0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.263
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 11.79% 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         90.09
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      259
_pdbx_vrpt_summary_diffraction.percent_free_reflections  4.61
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     4.85
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       2.65
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        19.76
_pdbx_vrpt_summary_diffraction.PDB_R                     0.22
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.23
#
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   12  .  ?        ?  
  2  1  1  A    2  SER  A   13  .  ?        ?  
  3  1  1  A    3  CYS  A   14  .  ?        1  
  4  1  1  A    4  LYS  A   15  .  ?        ?  
  5  1  1  A    5  ARG  A   16  .  ?        ?  
  6  1  1  A    6  HIS  A   17  .  ?        ?  
  7  1  1  A    7  PRO  A   18  .  ?        ?  
  8  1  1  A    8  LEU  A   19  .  ?        ?  
  9  1  1  A    9  TYR  A   20  .  ?        ?  
 10  1  1  A   10  VAL  A   21  .  ?        ?  
 11  1  1  A   11  ASP  A   22  .  ?        1  
 12  1  1  A   12  PHE  A   23  .  ?        ?  
 13  1  1  A   13  SER  A   24  .  ?        1  
 14  1  1  A   14  ASP  A   25  .  ?        ?  
 15  1  1  A   15  VAL  A   26  .  ?        ?  
 16  1  1  A   16  GLY  A   27  .  ?        ?  
 17  1  1  A   17  TRP  A   28  .  ?        ?  
 18  1  1  A   18  ASN  A   29  .  ?        5  
 19  1  1  A   19  ASP  A   30  .  ?        1  
 20  1  1  A   20  TRP  A   31  .  ?        1  
 21  1  1  A   21  ILE  A   32  .  ?        ?  
 22  1  1  A   22  VAL  A   33  .  ?        ?  
 23  1  1  A   23  ALA  A   34  .  ?        ?  
 24  1  1  A   24  PRO  A   35  .  ?        1  
 25  1  1  A   25  PRO  A   36  .  ?        1  
 26  1  1  A   26  GLY  A   37  .  ?        ?  
 27  1  1  A   27  TYR  A   38  .  ?        1  
 28  1  1  A   28  HIS  A   39  .  ?        ?  
 29  1  1  A   29  ALA  A   40  .  ?        1  
 30  1  1  A   30  PHE  A   41  .  ?        ?  
 31  1  1  A   31  TYR  A   42  .  ?        ?  
 32  1  1  A   32  CYS  A   43  .  ?        ?  
 33  1  1  A   33  HIS  A   44  .  ?        ?  
 34  1  1  A   34  GLY  A   45  .  ?        1  
 35  1  1  A   35  GLU  A   46  .  ?        1  
 36  1  1  A   36  CYS  A   47  .  ?        1  
 37  1  1  A   37  PRO  A   48  .  ?        2  
 38  1  1  A   38  PHE  A   49  .  ?        1  
 39  1  1  A   39  PRO  A   50  .  ?        2  
 40  1  1  A   40  PRO  A   51  .  ?        1  
 41  1  1  A   41  ALA  A   52  .  ?        1  
 42  1  1  A   42  ASP  A   53  .  ?        ?  
 43  1  1  A   43  HIS  A   54  .  ?        ?  
 44  1  1  A   44  LEU  A   55  .  ?        ?  
 45  1  1  A   45  ASN  A   56  .  ?        4  
 46  1  1  A   46  SER  A   57  .  ?        2  
 47  1  1  A   47  THR  A   58  .  ?        ?  
 48  1  1  A   48  ASN  A   59  .  ?        ?  
 49  1  1  A   49  HIS  A   60  .  ?        1  
 50  1  1  A   50  ALA  A   61  .  ?        ?  
 51  1  1  A   51  ILE  A   62  .  ?        ?  
 52  1  1  A   52  VAL  A   63  .  ?        ?  
 53  1  1  A   53  GLN  A   64  .  ?        ?  
 54  1  1  A   54  THR  A   65  .  ?        ?  
 55  1  1  A   55  LEU  A   66  .  ?        ?  
 56  1  1  A   56  VAL  A   67  .  ?        ?  
 57  1  1  A   57  ASN  A   68  .  ?        1  
 58  1  1  A   58  SER  A   69  .  ?        ?  
 59  1  1  A   59  VAL  A   70  .  ?        1  
 60  1  1  A   60  ASN  A   71  .  ?        1  
 61  1  1  A   61  SER  A   72  .  ?        ?  
 62  1  1  A   62  LYS  A   73  .  ?        ?  
 63  1  1  A   63  ILE  A   74  .  ?        3  
 64  1  1  A   64  PRO  A   75  .  ?        ?  
 65  1  1  A   65  LYS  A   76  .  ?        5  
 66  1  1  A   66  ALA  A   77  .  ?        ?  
 67  1  1  A   67  CYS  A   78  .  ?        ?  
 68  1  1  A   68  CYS  A   79  .  ?        ?  
 69  1  1  A   69  VAL  A   80  .  ?        ?  
 70  1  1  A   70  PRO  A   81  .  ?        ?  
 71  1  1  A   71  THR  A   82  .  ?        1  
 72  1  1  A   72  GLU  A   83  .  ?        ?  
 73  1  1  A   73  LEU  A   84  .  ?        ?  
 74  1  1  A   74  SER  A   85  .  ?        ?  
 75  1  1  A   75  ALA  A   86  .  ?        2  
 76  1  1  A   76  ILE  A   87  .  ?        ?  
 77  1  1  A   77  SER  A   88  .  ?        ?  
 78  1  1  A   78  MET  A   89  .  ?        ?  
 79  1  1  A   79  LEU  A   90  .  ?        ?  
 80  1  1  A   80  TYR  A   91  .  ?        1  
 81  1  1  A   81  LEU  A   92  .  ?        ?  
 82  1  1  A   82  ASP  A   93  .  ?        ?  
 83  1  1  A   83  GLU  A   94  .  ?        ?  
 84  1  1  A   84  ASN  A   95  .  ?        ?  
 85  1  1  A   85  GLU  A   96  .  ?        ?  
 86  1  1  A   86  LYS  A   97  .  ?        1  
 87  1  1  A   87  VAL  A   98  .  ?        ?  
 88  1  1  A   88  VAL  A   99  .  ?        1  
 89  1  1  A   89  LEU  A  100  .  ?        ?  
 90  1  1  A   90  LYS  A  101  .  ?        ?  
 91  1  1  A   91  ASN  A  102  .  ?        ?  
 92  1  1  A   92  TYR  A  103  .  ?        1  
 93  1  1  A   93  GLN  A  104  .  ?        1  
 94  1  1  A   94  ASP  A  105  .  ?        ?  
 95  1  1  A   95  MET  A  106  .  ?        ?  
 96  1  1  A   96  VAL  A  107  .  ?        ?  
 97  1  1  A   97  VAL  A  108  .  ?        ?  
 98  1  1  A   98  GLU  A  109  .  ?        ?  
 99  1  1  A   99  GLY  A  110  .  ?        ?  
100  1  1  A  100  CYS  A  111  .  ?        ?  
101  1  1  A  101  GLY  A  112  .  ?        1  
102  1  1  A  102  CYS  A  113  .  ?        ?  
103  1  1  A  103  ARG  A  114  .  ?        2  
104  1  2  B    .  MPD  A    1  .  ?        ?  
105  1  2  C    .  MPD  A    2  .  ?        ?  
106  1  3  D    .  HOH  A  901  .  ?        1  
107  1  3  D    .  HOH  A  902  .  ?        ?  
108  1  3  D    .  HOH  A  903  .  ?        ?  
109  1  3  D    .  HOH  A  904  .  ?        ?  
110  1  3  D    .  HOH  A  905  .  ?        ?  
111  1  3  D    .  HOH  A  906  .  ?        ?  
112  1  3  D    .  HOH  A  907  .  ?        ?  
113  1  3  D    .  HOH  A  908  .  ?        ?  
114  1  3  D    .  HOH  A  909  .  ?        ?  
115  1  3  D    .  HOH  A  910  .  ?        ?  
116  1  3  D    .  HOH  A  911  .  ?        ?  
117  1  3  D    .  HOH  A  912  .  ?        ?  
118  1  3  D    .  HOH  A  913  .  ?        ?  
#
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.cis_peptide
_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  m             ?       ?  ?           ?  ?        4   78.570     6  0.85     8  0.27  molprobity  1.000  
  2    2  p         -76.5   175.1  Favored     ?  ?        5   75.350     6  0.15     8  0.40  molprobity  1.000  
  3    3  t         -67.9   115.2  Favored     ?  ?        4   66.730     6  0.21     8  0.69  molprobity  1.000  
  4    4  mttt     -149.1   170.8  Favored     ?  ?       13   75.230     9  0.43    11  0.43  molprobity  1.000  
  5    5  ttp180    -86.9   143.4  Favored     ?  ?       13   62.690    11  0.20    14  0.58  molprobity  1.000  
  6    6  m80      -126.0   149.6  Favored     ?  ?        7   70.090    11  0.18    16  0.41  molprobity  1.000  
  7    7  Cg_exo    -67.5   145.7  Favored     ?  ?        7   63.590     8  0.28    11  0.56  molprobity  1.000  
  8    8  tp       -166.6   120.1  Allowed     ?  ?       11   60.230     8  0.23    11  0.54  molprobity  1.000  
  9    9  t80      -110.6   127.9  Favored     ?  ?        9   62.430    13  0.48    18  0.36  molprobity  1.000  
 10   10  t        -103.7   132.2  Favored     ?  ?        9   60.580     7  0.45    10  0.65  molprobity  1.000  
 11   11  t70      -109.3   112.3  Favored     ?  ?        4   64.990     8  0.42    11  0.81  molprobity  1.000  
 12   12  m-85      -54.8   -15.5  Allowed     ?  ?        9   67.140    12  0.66    16  0.40  molprobity  1.000  
 13   13  m         -72.7   -55.0  Favored     ?  ?        5   71.640     6  0.19     8  0.35  molprobity  1.000  
 14   14  m-20      -49.1   -41.6  Favored     ?  ?        4   74.810     8  0.19    11  0.41  molprobity  1.000  
 15   15  m         -87.6     2.4  Favored     ?  ?        9   74.770     7  0.22    10  0.51  molprobity  1.000  
 16   16  ?          61.4    42.4  Favored     ?  ?        3   73.700     4  0.26     5  0.34  molprobity  1.000  
 17   17  m0       -108.9    -4.3  Favored     ?  ?       10   72.780    16  0.28    23  0.22  molprobity  1.000  
 18   18  OUTLIER   -72.2    -6.0  Favored     1  ?        6   73.580     8  0.30    11  0.26  molprobity  1.000  
 19   19  p-10      -81.4   -10.5  Favored     ?  ?        4   76.420     8  0.16    11  0.25  molprobity  1.000  
 20   20  p-90     -136.1   -11.3  Allowed     ?  ?       10   73.980    16  0.33    23  0.20  molprobity  1.000  
 21   21  mt       -106.5    95.9  Favored     ?  ?       11   63.760     8  0.20    11  0.71  molprobity  1.000  
 22   22  t         -50.2   -52.6  Favored     ?  ?        9   62.440     7  0.23    10  0.69  molprobity  1.000  
 23   23  ?        -156.7   154.2  Favored     ?  Y        5   57.450     5  0.18     8  0.39  molprobity  1.000  
 24   24  Cg_endo   -73.8  -179.0  Favored     ?  ?        7   57.280     8  0.21    12  0.56  molprobity  1.000  
 25   25  Cg_endo   -75.5   -34.2  Favored     ?  ?        7   57.740     8  0.14    11  0.54  molprobity  1.000  
 26   26  ?        -171.5  -174.0  Favored     ?  ?        3   58.000     4  0.21     5  1.19  molprobity  1.000  
 27   27  p90      -163.3   170.6  Favored     ?  ?        9   54.830    13  0.48    18  0.43  molprobity  1.000  
 28   28  m80       -87.4    98.0  Favored     ?  ?        7   63.120    11  0.18    15  0.34  molprobity  1.000  
 29   29  ?         -86.3   -30.7  Favored     ?  ?        5   55.530     5  0.20     7  0.41  molprobity  1.000  
 30   30  m-85       64.7   177.7  Allowed     ?  ?        9   54.810    12  0.50    16  0.49  molprobity  1.000  
 31   31  p90      -165.5   169.9  Favored     ?  ?        9   61.740    13  0.56    18  0.46  molprobity  1.000  
 32   32  m        -117.3   138.7  Favored     ?  ?        4   55.800     6  0.31     8  0.76  molprobity  1.000  
 33   33  t-80     -160.9   150.1  Favored     ?  ?        7   66.830    11  0.26    15  0.44  molprobity  1.000  
 34   34  ?         143.1   160.2  Favored     ?  ?        3   71.180     4  0.36     5  0.59  molprobity  1.000  
 35   35  tt0       -86.9   137.1  Favored     ?  ?        6   80.030     9  0.15    12  0.32  molprobity  1.000  
 36   36  m         -82.8   106.3  Favored     ?  ?        4   76.750     6  0.20     9  0.92  molprobity  1.000  
 37   37  Cg_endo   -47.1   169.0  OUTLIER     ?  ?        7   90.190     8  0.16    11  1.11  molprobity  1.000  
 38   38  t80      -172.9   118.6  Allowed     ?  Y        9  103.450    12  0.63    17  0.46  molprobity  1.000  
 39   39  Cg_endo   -51.1   142.9  Favored     ?  ?        7  104.810     8  0.12    12  0.74  molprobity  1.000  
 40   40  Cg_exo    -46.4   131.1  Favored     ?  ?        7  107.120     8  0.26    11  0.65  molprobity  1.000  
 41   41  ?         -57.7   152.2  Favored     ?  ?        5  108.800     5  0.22     7  0.48  molprobity  1.000  
 42   42  m-20      -76.5   -79.5  Allowed     ?  ?        4  110.030     8  0.17    11  0.55  molprobity  1.000  
 43   43  m-70      -71.7    24.9  OUTLIER     ?  ?        7  108.080    11  0.14    15  0.32  molprobity  1.000  
 44   44  tp       -112.4   119.0  Favored     ?  ?       11   92.070     8  0.20    11  0.47  molprobity  1.000  
 45   45  OUTLIER   -53.4   133.9  Favored     1  ?        6   83.530     8  0.16    11  0.32  molprobity  1.000  
 46   46  t        -161.3   143.1  Favored     ?  ?        5   69.560     6  0.31     8  0.60  molprobity  1.000  
 47   47  p         -93.3   153.6  Favored     ?  ?        7   56.360     7  0.16    10  0.68  molprobity  1.000  
 48   48  m120      -48.9   -49.0  Favored     1  ?        6   50.860     8  0.24    11  0.29  molprobity  1.000  
 49   49  t60       -58.1   -38.4  Favored     ?  ?        7   49.490    11  0.24    15  0.30  molprobity  1.000  
 50   50  ?         -66.0   -36.2  Favored     ?  ?        5   51.170     5  0.32     7  0.31  molprobity  1.000  
 51   51  mt        -68.4   -43.1  Favored     ?  ?       11   51.530     8  0.43    11  0.63  molprobity  1.000  
 52   52  t         -65.3   -38.4  Favored     ?  ?        9   52.380     7  0.32    10  0.54  molprobity  1.000  
 53   53  tt0       -70.9   -32.3  Favored     ?  ?        8   55.620     9  0.25    12  0.36  molprobity  1.000  
 54   54  m         -68.3   -34.1  Favored     ?  ?        7   58.660     7  0.31    10  0.38  molprobity  1.000  
 55   55  OUTLIER   -73.9   -45.4  Favored     ?  ?       11   63.300     8  0.30    11  0.47  molprobity  1.000  
 56   56  t         -59.1   -33.6  Favored     ?  ?        9   62.760     7  0.29    10  0.58  molprobity  1.000  
 57   57  t-20      -63.6   -43.1  Favored     ?  ?        6   63.970     8  0.22    11  0.29  molprobity  1.000  
 58   58  p         -57.4   -32.6  Favored     ?  ?        5   71.000     6  0.26     8  0.42  molprobity  1.000  
 59   59  m         -92.5   -45.7  Favored     ?  ?        9   75.070     7  0.50    10  0.44  molprobity  1.000  
 60   60  t-20     -112.8   134.2  Favored     ?  ?        6   75.190     8  0.29    11  0.60  molprobity  1.000  
 61   61  m        -100.3   -11.4  Favored     ?  ?        5   76.170     6  0.25     8  0.71  molprobity  1.000  
 62   62  tttt      -64.6   -21.4  Favored     ?  ?       13   79.550     9  0.34    11  0.58  molprobity  1.000  
 63   63  mp        -95.0   121.3  Favored     ?  ?       11   68.550     8  0.22    12  0.61  molprobity  1.000  
 64   64  Cg_endo   -66.1   153.5  Favored     ?  ?        7   63.460     8  0.31    11  0.66  molprobity  1.000  
 65   65  OUTLIER   -70.1   174.1  Favored     ?  ?       13   64.360     9  0.39    11  0.70  molprobity  1.000  
 66   66  ?         -71.4   154.5  Favored     ?  ?        5   55.150     5  0.39     7  0.43  molprobity  1.000  
 67   67  t         -96.6   141.1  Favored     ?  ?        5   51.060     6  0.30     8  0.98  molprobity  1.000  
 68   68  t         -84.3   113.2  Favored     ?  ?        4   50.410     6  0.24     8  0.60  molprobity  1.000  
 69   69  m        -141.4   167.1  Favored     ?  ?        9   44.880     7  0.35    11  0.76  molprobity  1.000  
 70   70  Cg_exo    -64.0   128.5  Favored     ?  ?        7   44.660     8  0.20    11  0.56  molprobity  1.000  
 71   71  p        -115.4   -11.4  Favored     ?  ?        7   44.560     7  0.40    10  0.76  molprobity  1.000  
 72   72  tt0      -139.1   122.2  Favored     ?  ?        6   57.090     9  0.61    12  0.55  molprobity  1.000  
 73   73  mt       -130.0   143.6  Favored     ?  ?       11   44.470     8  0.22    11  0.52  molprobity  1.000  
 74   74  p        -121.9   169.1  Favored     ?  ?        5   44.340     6  0.50     8  0.75  molprobity  1.000  
 75   75  ?        -106.7   168.1  Favored     ?  ?        5   41.110     5  0.39     7  0.62  molprobity  1.000  
 76   76  pt       -134.8   149.2  Favored     ?  ?       11   46.200     8  0.40    11  0.94  molprobity  1.000  
 77   77  m         -93.5   145.4  Favored     ?  ?        5   51.590     6  0.40     8  0.54  molprobity  1.000  
 78   78  mtm      -137.6   149.7  Favored     ?  ?        9   52.330     8  0.53    10  0.46  molprobity  1.000  
 79   79  mt       -104.0   124.8  Favored     ?  ?       11   51.750     8  0.37    11  1.03  molprobity  1.000  
 80   80  p90      -148.9   172.8  Favored     ?  ?        9   56.140    13  0.25    18  0.46  molprobity  1.000  
 81   81  mt       -109.6   125.3  Favored     ?  ?       11   64.330     8  0.33    11  0.71  molprobity  1.000  
 82   82  p30       -83.1  -160.4  Allowed     ?  ?        4   72.730     8  0.28    11  0.65  molprobity  1.000  
 83   83  pt-20     -57.0   -36.7  Favored     ?  ?        6   81.730     9  0.25    12  0.45  molprobity  1.000  
 84   84  m120      -97.8    15.4  Favored     ?  ?        6   76.890     8  0.24    11  0.51  molprobity  1.000  
 85   85  mt-10      62.7    40.0  Favored     ?  ?        6   73.810     9  0.17    12  0.44  molprobity  1.000  
 86   86  mttt      -99.8   121.9  Favored     ?  ?       13   65.610     9  0.43    11  0.80  molprobity  1.000  
 87   87  t         -61.0   133.1  Favored     ?  ?        9   54.320     7  0.44    10  0.66  molprobity  1.000  
 88   88  t        -134.7   138.1  Favored     ?  ?        9   50.890     7  0.30    10  0.64  molprobity  1.000  
 89   89  tp       -109.0   107.1  Favored     ?  ?       11   44.740     8  0.36    11  0.97  molprobity  1.000  
 90   90  tttm     -129.1   145.7  Favored     ?  ?       13   54.140     9  0.44    11  0.56  molprobity  1.000  
 91   91  OUTLIER   -89.9   129.2  Favored     ?  ?        6   56.990     8  0.41    11  0.69  molprobity  1.000  
 92   92  m-85     -107.9   117.8  Favored     ?  ?        9   53.760    13  0.37    18  0.35  molprobity  1.000  
 93   93  mm100     -74.0   159.5  Favored     1  ?        8   56.030     9  0.33    12  0.59  molprobity  1.000  
 94   94  m-20       49.5    56.2  Favored     ?  ?        4   47.130     8  0.26    11  0.71  molprobity  1.000  
 95   95  mmm      -112.7   -32.9  Favored     ?  ?        9   45.740     8  0.50    10  0.68  molprobity  1.000  
 96   96  t        -116.7   127.0  Favored     ?  ?        9   41.740     7  0.33    10  0.78  molprobity  1.000  
 97   97  t         -77.2   123.7  Favored     ?  ?        9   44.140     7  0.44    10  0.67  molprobity  1.000  
 98   98  mm-40    -113.8   -10.8  Favored     ?  ?        6   50.570     9  0.37    12  0.43  molprobity  1.000  
 99   99  ?        -165.0   145.5  Favored     ?  ?        3   50.850     4  0.29     5  0.27  molprobity  1.000  
100  100  m        -117.4   160.3  Favored     ?  ?        4   50.560     6  0.18     8  0.51  molprobity  1.000  
101  101  ?        -161.6   179.1  Favored     ?  ?        3   49.240     4  0.43     5  0.91  molprobity  1.000  
102  102  m        -104.4   135.6  Favored     ?  ?        4   50.270     6  0.34     8  0.94  molprobity  1.000  
103  103  mmp_?         ?       ?  ?           ?  ?       13   46.350    11  0.40    11  1.01  molprobity  1.000  
104  104  ?             ?       ?  ?           ?  ?       14   88.380     7  0.60     9  0.61  mogul       1.000  
105  105  ?             ?       ?  ?           ?  ?       14   81.650     7  0.52     9  0.49  mogul       0.750  
106  106  ?             ?       ?  ?           ?  ?        ?   40.120     ?     ?     ?     ?  ?           1.000  
107  107  ?             ?       ?  ?           ?  ?        ?   41.300     ?     ?     ?     ?  ?           1.000  
108  108  ?             ?       ?  ?           ?  ?        ?   61.650     ?     ?     ?     ?  ?           1.000  
109  109  ?             ?       ?  ?           ?  ?        ?   83.650     ?     ?     ?     ?  ?           1.000  
110  110  ?             ?       ?  ?           ?  ?        ?   36.410     ?     ?     ?     ?  ?           1.000  
111  111  ?             ?       ?  ?           ?  ?        ?   75.010     ?     ?     ?     ?  ?           1.000  
112  112  ?             ?       ?  ?           ?  ?        ?   51.440     ?     ?     ?     ?  ?           1.000  
113  113  ?             ?       ?  ?           ?  ?        ?   41.850     ?     ?     ?     ?  ?           1.000  
114  114  ?             ?       ?  ?           ?  ?        ?   58.390     ?     ?     ?     ?  ?           1.000  
115  115  ?             ?       ?  ?           ?  ?        ?   84.670     ?     ?     ?     ?  ?           1.000  
116  116  ?             ?       ?  ?           ?  ?        ?   61.650     ?     ?     ?     ?  ?           1.000  
117  117  ?             ?       ?  ?           ?  ?        ?   51.270     ?     ?     ?     ?  ?           1.000  
118  118  ?             ?       ?  ?           ?  ?        ?   65.910     ?     ?     ?     ?  ?           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    3  HA     1  0.40  2.03  
 2   11  OD2    2  0.58  2.04  
 3   13  HB2    2  0.58  2.04  
 4   18  HD22   3  0.45  2.15  
 5   18  HD22   4  0.44  2.14  
 6   18  N      4  0.44  2.14  
 7   18  N      5  0.44  2.66  
 8   18  ND2    5  0.44  2.66  
 9   19  N      3  0.45  2.15  
10   20  O      6  0.44  2.18  
11   24  HB2    7  0.49  1.94  
12   25  HD2    7  0.49  1.94  
13   27  CZ     8  0.49  2.47  
14   29  HB2    8  0.49  2.47  
15   34  HA3    1  0.40  2.03  
16   35  OE1    9  0.40  2.21  
17   36  HA    10  0.45  1.76  
18   37  HG3   11  0.65  1.77  
19   37  HD2   10  0.45  1.76  
20   38  HA    12  0.58  2.22  
21   39  C     12  0.58  2.22  
22   39  HA    13  0.41  1.90  
23   40  HD3   13  0.41  1.90  
24   41  HB2   11  0.65  1.77  
25   45  HD22  14  0.62  1.98  
26   45  HD22  15  0.53  1.55  
27   45  CG    16  0.48  2.17  
28   45  ND2   17  0.46  2.13  
29   46  N     14  0.62  1.98  
30   46  H     15  0.53  1.55  
31   49  HD2   18  0.55  1.88  
32   57  ND2   19  0.50  2.37  
33   59  HG23  20  0.45  2.32  
34   60  N     20  0.45  2.32  
35   63  O     19  0.50  2.37  
36   63  HD12  21  0.47  2.30  
37   63  N     21  0.47  2.30  
38   65  HB2   22  0.50  2.26  
39   65  HB2   23  0.42  1.85  
40   65  NZ    22  0.50  2.26  
41   65  HZ2   23  0.42  1.85  
42   65  HE2    9  0.40  2.21  
43   71  HG21  24  0.49  1.94  
44   75  HB1   25  0.51  2.10  
45   75  HB2   26  0.42  2.01  
46   80  HB2    6  0.44  2.18  
47   86  O     27  0.48  2.13  
48   88  HG23  27  0.48  2.13  
49   92  O     25  0.51  2.10  
50   93  HA    26  0.42  2.01  
51  101  HA3   24  0.49  1.94  
52  103  HH22  16  0.48  2.17  
53  103  HH22  17  0.46  2.13  
54  106  O     18  0.55  1.88  
#
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   6  0.806  0.323   2.191  
  2    2   6  0.875  0.156  -0.135  
  3    3   6  0.932  0.144  -0.050  
  4    4   9  0.835  0.359   1.579  
  5    5  11  0.946  0.139  -0.814  
  6    6  10  0.923  0.203   0.415  
  7    7   7  0.938  0.138  -0.416  
  8    8   8  0.940  0.156  -0.506  
  9    9  12  0.929  0.132  -0.671  
 10   10   7  0.934  0.153  -0.418  
 11   11   8  0.914  0.144  -0.459  
 12   12  11  0.934  0.145  -0.543  
 13   13   6  0.927  0.157  -0.121  
 14   14   8  0.925  0.149  -0.393  
 15   15   7  0.947  0.109  -1.063  
 16   16   4  0.939  0.117  -0.579  
 17   17  14  0.904  0.133  -0.595  
 18   18   8  0.844  0.242   0.900  
 19   19   8  0.918  0.146  -0.433  
 20   20  14  0.921  0.154  -0.280  
 21   21   8  0.937  0.163  -0.385  
 22   22   7  0.953  0.140  -0.609  
 23   23   5  0.954  0.158  -0.130  
 24   24   7  0.957  0.113  -0.776  
 25   25   7  0.965  0.072  -1.365  
 26   26   4  0.959  0.079  -1.084  
 27   27  12  0.891  0.167  -0.137  
 28   28  10  0.895  0.139  -0.501  
 29   29   5  0.975  0.212   0.651  
 30   30  11  0.945  0.153  -0.428  
 31   31  12  0.916  0.144  -0.488  
 32   32   6  0.971  0.146  -0.017  
 33   33  10  0.878  0.189   0.215  
 34   34   4  0.929  0.159  -0.021  
 35   35   9  0.814  0.228   0.259  
 36   36   6  0.916  0.134  -0.216  
 37   37   7  0.923  0.205   0.548  
 38   38  11  0.904  0.367   2.656  
 39   39   7  0.794  0.302   1.944  
 40   40   7  0.872  0.215   0.692  
 41   41   5  0.903  0.262   1.375  
 42   42   8  0.657  0.460   3.760  
 43   43  10  0.597  0.542   5.265  
 44   44   8  0.853  0.228   0.515  
 45   45   8  0.932  0.242   0.900  
 46   46   6  0.941  0.115  -0.706  
 47   47   7  0.936  0.159  -0.149  
 48   48   8  0.965  0.152  -0.337  
 49   49  10  0.973  0.264   1.288  
 50   50   5  0.978  0.209   0.608  
 51   51   8  0.966  0.235   0.681  
 52   52   7  0.976  0.297   1.694  
 53   53   9  0.974  0.290   1.193  
 54   54   7  0.936  0.212   0.624  
 55   55   8  0.961  0.174  -0.251  
 56   56   7  0.874  0.198   0.242  
 57   57   8  0.943  0.107  -0.955  
 58   58   6  0.917  0.099  -0.929  
 59   59   7  0.920  0.152  -0.433  
 60   60   8  0.889  0.129  -0.652  
 61   61   6  0.946  0.135  -0.428  
 62   62   9  0.913  0.282   0.701  
 63   63   8  0.935  0.176  -0.193  
 64   64   7  0.979  0.092  -1.078  
 65   65   9  0.890  0.177  -0.496  
 66   66   5  0.957  0.206   0.564  
 67   67   6  0.985  0.106  -0.680  
 68   68   6  0.971  0.136  -0.182  
 69   69   7  0.973  0.191   0.139  
 70   70   7  0.988  0.155  -0.171  
 71   71   7  0.977  0.106  -0.921  
 72   72   9  0.876  0.188  -0.223  
 73   73   8  0.947  0.134  -0.818  
 74   74   6  0.947  0.097  -0.957  
 75   75   5  0.981  0.103  -0.926  
 76   76   8  0.960  0.124  -0.963  
 77   77   6  0.943  0.127  -0.539  
 78   78   8  0.972  0.153  -0.289  
 79   79   8  0.965  0.180  -0.166  
 80   80  12  0.974  0.131  -0.686  
 81   81   8  0.963  0.134  -0.818  
 82   82   8  0.924  0.144  -0.459  
 83   83   9  0.859  0.377   2.052  
 84   84   8  0.927  0.193   0.227  
 85   85   9  0.801  0.172  -0.415  
 86   86   9  0.928  0.215  -0.063  
 87   87   7  0.969  0.139  -0.623  
 88   88   7  0.978  0.129  -0.770  
 89   89   8  0.962  0.166  -0.365  
 90   90   9  0.960  0.134  -0.986  
 91   91   8  0.921  0.119  -0.790  
 92   92  12  0.952  0.160  -0.244  
 93   93   9  0.908  0.179  -0.199  
 94   94   8  0.955  0.097  -1.087  
 95   95   8  0.973  0.185   0.185  
 96   96   7  0.985  0.170  -0.169  
 97   97   7  0.978  0.162  -0.286  
 98   98   9  0.971  0.136  -0.848  
 99   99   4  0.958  0.130  -0.406  
100  100   6  0.968  0.101  -0.763  
101  101   4  0.985  0.089  -0.951  
102  102   6  0.974  0.143  -0.066  
103  103  12  0.903  0.218   0.171  
104  104   8  0.795  0.461       ?  
105  105   8  0.769  0.355       ?  
106  106   1  0.974  0.620       ?  
107  107   1  0.983  0.274       ?  
108  108   1  0.954  0.216       ?  
109  109   1  0.700  0.472       ?  
110  110   1  0.945  0.218       ?  
111  111   1  0.821  0.272       ?  
112  112   1  0.883  0.566       ?  
113  113   1  0.982  0.363       ?  
114  114   1  0.915  0.401       ?  
115  115   1  0.446  0.248       ?  
116  116   1  0.616  0.566       ?  
117  117   1  0.970  0.151       ?  
118  118   1  0.877  0.231       ?  
#
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  
##
