data_3UW4

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  3UW4
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    3UW4
_pdbx_vrpt_summary.PDB_deposition_date         2011-11-30
_pdbx_vrpt_summary.PDB_revision_number         6
_pdbx_vrpt_summary.PDB_revision_date           2023-09-13
_pdbx_vrpt_summary.report_creation_date        2023-09-05:07:48
_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      "Baculoviral IAP repeat-containing protein 2, Baculoviral IAP repeat-containing protein 4"  
2  polymer      GDC0152  
3  non-polymer  "ZINC ION"  
4  water        water  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  2  
C  3  
D  3  
E  4  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all   x-ray  
2  1.79  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   57.15  141614     ?     ?  
 2  2  1   49.82    6793  1.80  1.80  
 3  1  2  100.00  138981     ?     ?  
 4  2  2  100.00    6697  1.80  1.80  
 5  1  3  100.00  138945     ?     ?  
 6  2  3  100.00    6696  1.80  1.80  
 7  1  4  100.00  127900     ?     ?  
 8  2  4  100.00    5850  1.80  1.80  
 9  1  5   68.17  130704     ?     ?  
10  2  5   54.90    5950  1.80  1.80  
#
loop_
_pdbx_vrpt_percentile_entity_view.ordinal
_pdbx_vrpt_percentile_entity_view.conditions_id
_pdbx_vrpt_percentile_entity_view.type_id
_pdbx_vrpt_percentile_entity_view.label_asym_id
_pdbx_vrpt_percentile_entity_view.PDB_model_num
_pdbx_vrpt_percentile_entity_view.entity_id
_pdbx_vrpt_percentile_entity_view.auth_asym_id
_pdbx_vrpt_percentile_entity_view.rank
 1  3  2  A  1  1  A  100.00  
 2  4  2  A  1  1  A  100.00  
 3  5  3  A  1  1  A  100.00  
 4  6  3  A  1  1  A  100.00  
 5  7  4  A  1  1  A  100.00  
 6  8  4  A  1  1  A  100.00  
 7  5  3  B  1  2  Z  100.00  
 8  6  3  B  1  2  Z  100.00  
 9  7  4  B  1  2  Z  100.00  
10  8  4  B  1  2  Z  100.00  
#
loop_
_pdbx_vrpt_summary_entity_geometry.ordinal
_pdbx_vrpt_summary_entity_geometry.PDB_model_num
_pdbx_vrpt_summary_entity_geometry.entity_id
_pdbx_vrpt_summary_entity_geometry.label_asym_id
_pdbx_vrpt_summary_entity_geometry.auth_asym_id
_pdbx_vrpt_summary_entity_geometry.angles_RMSZ
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ
1  1  1  A  A  0.64  0.70  736  998  
2  1  2  B  Z  1.91  1.05    7    8  
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  0.00
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       0.00
_pdbx_vrpt_summary_geometry.clashscore                     4.88
_pdbx_vrpt_summary_geometry.num_H_reduce                   686
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 743
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.71
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                1006
_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            41.555
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         17.803
_pdbx_vrpt_summary_diffraction.I_over_sigma              3.69(1.79A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        7503
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.380
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.473
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.309
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.954
_pdbx_vrpt_summary_diffraction.twin_fraction             k,h,-l:0.036
_pdbx_vrpt_summary_diffraction.DCC_R                     0.18
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.22
_pdbx_vrpt_summary_diffraction.EDS_R                     0.18
_pdbx_vrpt_summary_diffraction.EDS_res_high              1.79
_pdbx_vrpt_summary_diffraction.EDS_res_low               31.36
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[18.300,18.982,16.427,0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.143
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 12.04% 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         97.92
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      736
_pdbx_vrpt_summary_diffraction.percent_free_reflections  9.81
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     0.00
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       1.79
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        31.36
_pdbx_vrpt_summary_diffraction.PDB_R                     0.18
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.22
#
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_bond_outliers
_pdbx_vrpt_model_instance.count_clashes
  1  1  1  A   4  MET  A  252  .  ?        ?     ?  
  2  1  1  A   5  GLN  A  253  .  ?        ?     ?  
  3  1  1  A   6  THR  A  254  .  ?        ?     ?  
  4  1  1  A   7  HIS  A  255  .  ?        ?     3  
  5  1  1  A   8  ALA  A  256  .  ?        ?     ?  
  6  1  1  A   9  ALA  A  257  .  ?        ?     ?  
  7  1  1  A  10  ARG  A  258  .  ?        ?     ?  
  8  1  1  A  11  MET  A  259  .  ?        ?     ?  
  9  1  1  A  12  ARG  A  260  .  ?        ?     ?  
 10  1  1  A  13  THR  A  261  .  ?        ?     ?  
 11  1  1  A  14  PHE  A  262  .  ?        ?     ?  
 12  1  1  A  15  MET  A  263  .  ?        ?     ?  
 13  1  1  A  16  TYR  A  264  .  ?        ?     ?  
 14  1  1  A  17  TRP  A  265  .  ?        1     ?  
 15  1  1  A  18  PRO  A  266  .  ?        ?     1  
 16  1  1  A  19  SER  A  267  .  ?        ?     ?  
 17  1  1  A  20  SER  A  268  .  ?        ?     ?  
 18  1  1  A  21  VAL  A  269  .  ?        ?     1  
 19  1  1  A  22  PRO  A  270  .  ?        ?     ?  
 20  1  1  A  23  VAL  A  271  .  ?        ?     ?  
 21  1  1  A  24  GLN  A  272  .  ?        ?     2  
 22  1  1  A  25  PRO  A  273  .  ?        ?     2  
 23  1  1  A  26  GLU  A  274  .  ?        ?     2  
 24  1  1  A  27  GLN  A  275  .  ?        ?     1  
 25  1  1  A  28  LEU  A  276  .  ?        ?     ?  
 26  1  1  A  29  ALA  A  277  .  ?        ?     ?  
 27  1  1  A  30  ALA  A  278  .  ?        ?     1  
 28  1  1  A  31  ALA  A  279  .  ?        ?     ?  
 29  1  1  A  32  GLY  A  280  .  ?        ?     ?  
 30  1  1  A  33  PHE  A  281  .  ?        ?     ?  
 31  1  1  A  34  TYR  A  282  .  ?        ?     ?  
 32  1  1  A  35  TYR  A  283  .  ?        ?     ?  
 33  1  1  A  36  VAL  A  284  .  ?        ?     ?  
 34  1  1  A  37  GLY  A  285  .  ?        ?     ?  
 35  1  1  A  38  ARG  A  286  .  ?        ?     ?  
 36  1  1  A  39  ASN  A  287  .  ?        ?     ?  
 37  1  1  A  40  ASP  A  288  .  ?        ?     ?  
 38  1  1  A  41  ASP  A  289  .  ?        ?     ?  
 39  1  1  A  42  VAL  A  290  .  ?        ?     ?  
 40  1  1  A  43  LYS  A  291  .  ?        ?     ?  
 41  1  1  A  44  CYS  A  292  .  ?        ?     ?  
 42  1  1  A  45  PHE  A  293  .  ?        ?     ?  
 43  1  1  A  46  SER  A  294  .  ?        ?     ?  
 44  1  1  A  47  CYS  A  295  .  ?        ?     ?  
 45  1  1  A  48  ASP  A  296  .  ?        ?     ?  
 46  1  1  A  49  GLY  A  297  .  ?        ?     ?  
 47  1  1  A  50  GLY  A  298  .  ?        ?     ?  
 48  1  1  A  51  LEU  A  299  .  ?        ?     ?  
 49  1  1  A  52  ARG  A  300  .  ?        ?     ?  
 50  1  1  A  53  CYS  A  301  .  ?        ?     ?  
 51  1  1  A  54  TRP  A  302  .  ?        ?     ?  
 52  1  1  A  55  GLU  A  303  .  ?        ?     ?  
 53  1  1  A  56  SER  A  304  .  ?        ?     ?  
 54  1  1  A  57  GLY  A  305  .  ?        ?     ?  
 55  1  1  A  58  ASP  A  306  .  ?        ?     ?  
 56  1  1  A  59  ASP  A  307  .  ?        ?     ?  
 57  1  1  A  60  PRO  A  308  .  ?        ?     ?  
 58  1  1  A  61  TRP  A  309  .  ?        ?     ?  
 59  1  1  A  62  VAL  A  310  .  ?        ?     ?  
 60  1  1  A  63  GLU  A  311  .  ?        ?     ?  
 61  1  1  A  64  HIS  A  312  .  ?        ?     ?  
 62  1  1  A  65  ALA  A  313  .  ?        ?     ?  
 63  1  1  A  66  LYS  A  314  .  ?        ?     ?  
 64  1  1  A  67  TRP  A  315  .  ?        1     ?  
 65  1  1  A  68  PHE  A  316  .  ?        ?     ?  
 66  1  1  A  69  PRO  A  317  .  ?        ?     ?  
 67  1  1  A  70  GLY  A  318  .  ?        ?     ?  
 68  1  1  A  71  CYS  A  319  .  ?        ?     ?  
 69  1  1  A  72  GLU  A  320  .  ?        ?     ?  
 70  1  1  A  73  PHE  A  321  .  ?        ?     ?  
 71  1  1  A  74  LEU  A  322  .  ?        ?     ?  
 72  1  1  A  75  ILE  A  323  .  ?        ?     ?  
 73  1  1  A  76  ARG  A  324  .  ?        ?     ?  
 74  1  1  A  77  MET  A  325  .  ?        ?     ?  
 75  1  1  A  78  LYS  A  326  .  ?        ?     ?  
 76  1  1  A  79  GLY  A  327  .  ?        ?     ?  
 77  1  1  A  80  GLN  A  328  .  ?        ?     ?  
 78  1  1  A  81  GLU  A  329  .  ?        ?     ?  
 79  1  1  A  82  TYR  A  330  .  ?        ?     ?  
 80  1  1  A  83  ILE  A  331  .  ?        ?     ?  
 81  1  1  A  84  ASN  A  332  .  ?        ?     ?  
 82  1  1  A  85  ASN  A  333  .  ?        ?     ?  
 83  1  1  A  86  ILE  A  334  .  ?        ?     ?  
 84  1  1  A  87  HIS  A  335  .  ?        ?     ?  
 85  1  1  A  88  LEU  A  336  .  ?        ?     ?  
 86  1  1  A  89  THR  A  337  .  ?        ?     ?  
 87  1  1  A  90  HIS  A  338  .  ?        ?     ?  
 88  1  2  B   1  MAA  Z    1  .  ?        ?     ?  
 89  1  2  B   2  CHG  Z    2  .  ?        ?     ?  
 90  1  2  B   3  PRO  Z    3  .  ?        ?     ?  
 91  1  2  B   4  0DQ  Z    4  .  ?        ?     ?  
 92  1  3  C   .  ZN   A  401  .  ?        ?     ?  
 93  1  3  D   .  ZN   A  402  .  ?        ?     ?  
 94  1  4  E   .  HOH  A    2  .  ?        ?     ?  
 95  1  4  E   .  HOH  A    3  .  ?        ?     ?  
 96  1  4  E   .  HOH  A    4  .  ?        ?     ?  
 97  1  4  E   .  HOH  A    5  .  ?        ?     ?  
 98  1  4  E   .  HOH  A    6  .  ?        ?     ?  
 99  1  4  E   .  HOH  A    7  .  ?        ?     ?  
100  1  4  E   .  HOH  A    8  .  ?        ?     ?  
101  1  4  E   .  HOH  A    9  .  ?        ?     ?  
102  1  4  E   .  HOH  A   10  .  ?        ?     ?  
103  1  4  E   .  HOH  A   11  .  ?        ?     1  
104  1  4  E   .  HOH  A   12  .  ?        ?     ?  
105  1  4  E   .  HOH  A   13  .  ?        ?     ?  
106  1  4  E   .  HOH  A   14  .  ?        ?     ?  
107  1  4  E   .  HOH  A   15  .  ?        ?     ?  
108  1  4  E   .  HOH  A   16  .  ?        ?     ?  
109  1  4  E   .  HOH  A   17  .  ?        ?     ?  
110  1  4  E   .  HOH  A   18  .  ?        ?     ?  
111  1  4  E   .  HOH  A   19  .  ?        ?     ?  
112  1  4  E   .  HOH  A   20  .  ?        ?     ?  
113  1  4  E   .  HOH  A   21  .  ?        ?     ?  
114  1  4  E   .  HOH  A   22  .  ?        ?     ?  
115  1  4  E   .  HOH  A   23  .  ?        ?     ?  
116  1  4  E   .  HOH  A   25  .  ?        ?     ?  
117  1  4  E   .  HOH  A   27  .  ?        ?     ?  
118  1  4  E   .  HOH  A   28  .  ?        ?     ?  
119  1  4  E   .  HOH  A   29  .  ?        ?     ?  
120  1  4  E   .  HOH  A   30  .  ?        ?     ?  
121  1  4  E   .  HOH  A   31  .  ?        ?     ?  
122  1  4  E   .  HOH  A   32  .  ?        ?     ?  
123  1  4  E   .  HOH  A   33  .  ?        ?     ?  
124  1  4  E   .  HOH  A   34  .  ?        ?     ?  
125  1  4  E   .  HOH  A   35  .  ?        ?     ?  
126  1  4  E   .  HOH  A   36  .  ?        ?     ?  
127  1  4  E   .  HOH  A   37  .  ?        ?     ?  
128  1  4  E   .  HOH  A   38  .  ?        ?     ?  
129  1  4  E   .  HOH  A   39  .  ?        ?     ?  
130  1  4  E   .  HOH  A   40  .  ?        ?     ?  
131  1  4  E   .  HOH  A   41  .  ?        ?     ?  
132  1  4  E   .  HOH  A   42  .  ?        ?     ?  
133  1  4  E   .  HOH  A   43  .  ?        ?     ?  
134  1  4  E   .  HOH  A   44  .  ?        ?     ?  
135  1  4  E   .  HOH  A   45  .  ?        ?     ?  
136  1  4  E   .  HOH  A   47  .  ?        ?     ?  
137  1  4  E   .  HOH  A   48  .  ?        ?     ?  
138  1  4  E   .  HOH  A   49  .  ?        ?     ?  
139  1  4  E   .  HOH  A   50  .  ?        ?     ?  
140  1  4  E   .  HOH  A   51  .  ?        ?     ?  
141  1  4  E   .  HOH  A   52  .  ?        ?     ?  
142  1  4  E   .  HOH  A   55  .  ?        ?     ?  
143  1  4  E   .  HOH  A   57  .  ?        ?     ?  
144  1  4  E   .  HOH  A   58  .  ?        ?     ?  
145  1  4  E   .  HOH  A   60  .  ?        ?     ?  
146  1  4  E   .  HOH  A   62  .  ?        ?     ?  
#
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  mmt           ?       ?  ?           ?     8  25.280     8  0.99    10  0.57  molprobity  1.000  
  2    2  mt-30     -72.4   -22.4  Favored     ?     8  39.880     9  0.28    12  0.59  molprobity  1.000  
  3    3  p        -108.1   148.5  Favored     ?     7  27.630     7  0.25    10  0.76  molprobity  1.000  
  4    4  t-80      -51.6   -44.6  Favored     1     7  23.690    11  0.91    15  0.30  molprobity  1.000  
  5    5  ?         -59.5   -46.8  Favored     ?     5  26.210     5  0.54     7  0.59  molprobity  1.000  
  6    6  ?         -62.2   -40.9  Favored     ?     5  23.240     5  0.44     7  0.54  molprobity  1.000  
  7    7  mtm-85    -64.6   -40.3  Favored     ?    13  15.600    11  0.44    14  0.82  molprobity  1.000  
  8    8  mmm       -56.0   -39.3  Favored     ?     9  20.280     8  0.36    10  0.49  molprobity  1.000  
  9    9  mtt85     -57.1   -29.7  Favored     ?    13  37.850    11  0.31    14  0.68  molprobity  1.000  
 10   10  p         -72.2   -17.7  Favored     ?     7  16.310     7  0.68    10  0.90  molprobity  1.000  
 11   11  m-85      -94.4     8.8  Favored     ?     9  15.340    12  0.73    16  0.42  molprobity  1.000  
 12   12  mtt       -55.9   -38.4  Favored     ?     9  29.300     8  0.39    10  0.55  molprobity  1.000  
 13   13  m-85     -106.8    26.7  Favored     ?     9  22.650    13  0.71    18  0.80  molprobity  1.000  
 14   14  t-105     -55.3   132.6  Favored     ?    10  13.690    16  1.66    24  0.77  molprobity  1.000  
 15   15  Cg_exo    -60.1   137.2  Favored     ?     7  18.430     8  0.34    11  0.51  molprobity  1.000  
 16   16  m         -67.0   -27.4  Favored     ?     5  20.770     6  0.28     8  0.54  molprobity  1.000  
 17   17  p         -82.8    -8.4  Favored     ?     5  20.560     6  0.21     8  0.62  molprobity  1.000  
 18   18  t         -74.6   130.4  Favored     ?     9  18.580     7  0.37    11  0.55  molprobity  1.000  
 19   19  Cg_exo    -78.6    -0.0  Favored     ?     7  23.160     8  0.38    11  0.52  molprobity  1.000  
 20   20  t        -116.8   138.2  Favored     ?     9  17.500     7  0.44    10  0.85  molprobity  1.000  
 21   21  mm100    -126.4   171.1  Favored     1     8  17.940     9  0.73    13  0.91  molprobity  1.000  
 22   22  Cg_exo    -56.6   -40.0  Favored     ?     7  17.310     8  0.41    11  0.81  molprobity  1.000  
 23   23  tp10      -60.0   -45.0  Favored     ?     6  31.180     9  0.48    12  0.43  molprobity  1.000  
 24   24  mt-30     -70.4   -39.5  Favored     1     8  24.860     9  0.24    12  0.42  molprobity  1.000  
 25   25  mt        -64.3   -48.1  Favored     ?    11  13.400     8  0.47    11  0.53  molprobity  1.000  
 26   26  ?         -69.1   -33.4  Favored     ?     5  12.330     5  0.36     7  0.36  molprobity  1.000  
 27   27  ?         -61.8   -36.6  Favored     ?     5  14.130     5  0.21     7  0.41  molprobity  1.000  
 28   28  ?         -84.6     8.3  Favored     ?     5  12.090     5  0.32     7  0.64  molprobity  1.000  
 29   29  ?          97.7     3.9  Favored     ?     3  11.870     4  0.72     5  0.53  molprobity  1.000  
 30   30  m-85      -91.3   145.6  Favored     ?     9  11.760    12  0.71    16  0.45  molprobity  1.000  
 31   31  p90      -129.7   156.5  Favored     ?     9  17.440    13  0.46    18  0.55  molprobity  1.000  
 32   32  t80       -82.5   131.7  Favored     ?     9  15.070    13  0.74    18  0.68  molprobity  1.000  
 33   33  m         -92.9    -5.0  Favored     ?     9  22.000     7  0.46    10  0.56  molprobity  1.000  
 34   34  ?          95.5     7.9  Favored     ?     3  27.830     4  0.45     5  0.71  molprobity  1.000  
 35   35  mtt180   -127.3   133.3  Favored     ?    13  28.870    11  0.40    14  0.92  molprobity  1.000  
 36   36  m120       46.0  -131.9  Allowed     ?     6  22.330     8  0.40    11  0.44  molprobity  1.000  
 37   37  p-10     -110.1    34.5  Favored     ?     4  16.450     8  0.81    11  1.25  molprobity  1.000  
 38   38  m-20      -84.3   127.7  Favored     ?     4  16.520     8  0.54    11  1.16  molprobity  1.000  
 39   39  m        -130.8   158.3  Favored     ?     9  11.200     7  0.27    10  0.51  molprobity  1.000  
 40   40  mtmt     -131.9   146.6  Favored     ?    13  25.960     9  0.34    11  0.23  molprobity  1.000  
 41   41  t         -83.1   135.9  Favored     ?     4  14.510     6  0.54     8  0.54  molprobity  1.000  
 42   42  p90       -67.7   -19.4  Favored     ?     9  16.900    12  0.74    16  0.36  molprobity  1.000  
 43   43  t         -99.8   -55.0  Favored     ?     5  19.500     6  0.49     8  0.37  molprobity  1.000  
 44   44  p         -92.3   -14.9  Favored     ?     4  17.960     6  0.22     8  0.47  molprobity  1.000  
 45   45  t70        71.6    11.7  Favored     ?     4  25.610     8  0.43    11  0.59  molprobity  1.000  
 46   46  ?         -70.1   136.6  Favored     ?     3  15.110     4  0.15     5  0.82  molprobity  1.000  
 47   47  ?        -112.1   143.4  Favored     ?     3  13.450     4  0.38     5  1.04  molprobity  1.000  
 48   48  mt       -126.4   149.7  Favored     ?    11  13.250     8  0.19    11  0.34  molprobity  1.000  
 49   49  ptp85    -153.4   178.1  Favored     ?    13  18.900    11  0.46    14  0.90  molprobity  1.000  
 50   50  m          57.9    46.7  Favored     ?     5  16.470     6  0.26     8  0.94  molprobity  1.000  
 51   51  m95       -60.4   139.8  Favored     ?    10  15.680    16  1.54    23  0.71  molprobity  1.000  
 52   52  mt-10    -120.5   156.5  Favored     ?     6  30.840     9  0.40    12  0.73  molprobity  1.000  
 53   53  t         -45.7   128.8  Favored     ?     5  25.460     6  0.62     8  0.51  molprobity  1.000  
 54   54  ?          91.2   -13.8  Favored     ?     3  24.350     4  0.59     5  0.55  molprobity  1.000  
 55   55  m-20      -60.2   139.4  Favored     ?     4  18.970     8  0.34    11  1.16  molprobity  1.000  
 56   56  t70      -115.2   127.0  Favored     ?     4  24.890     8  0.38    12  0.64  molprobity  1.000  
 57   57  Cg_exo    -59.4   -32.3  Favored     ?     7  14.280     8  0.48    11  0.50  molprobity  1.000  
 58   58  m95       -68.4   -42.2  Favored     ?    10  16.960    16  1.61    23  0.78  molprobity  1.000  
 59   59  t         -64.2   -45.6  Favored     ?     9  15.780     7  0.35    10  0.62  molprobity  1.000  
 60   60  mm-40     -64.1   -38.6  Favored     ?     6  18.470     9  0.41    12  0.55  molprobity  1.000  
 61   61  t-160     -58.4   -44.2  Favored     ?     7  12.340    11  1.00    15  0.41  molprobity  1.000  
 62   62  ?         -73.7   -34.1  Favored     ?     5  12.120     5  0.49     7  0.28  molprobity  1.000  
 63   63  ttmt      -62.4   -45.9  Favored     ?    13  20.190     9  0.68    11  0.81  molprobity  1.000  
 64   64  m95      -100.9   -29.9  Favored     ?    10  16.580    16  1.75    23  0.86  molprobity  1.000  
 65   65  m-85     -131.9    57.5  Favored     ?     9  15.320    12  0.62    17  0.41  molprobity  1.000  
 66   66  Cg_endo   -64.9   -19.1  Favored     ?     7  17.500     8  0.22    11  0.46  molprobity  1.000  
 67   67  ?         -86.7     3.6  Favored     ?     3  17.770     4  0.41     5  0.41  molprobity  1.000  
 68   68  t         -62.3   129.8  Favored     ?     4  16.080     6  0.39     8  0.60  molprobity  1.000  
 69   69  mm-40     -64.1   -41.8  Favored     ?     6  43.740     9  0.37    12  0.53  molprobity  1.000  
 70   70  t80       -61.7   -50.9  Favored     ?     9  16.640    12  0.61    16  0.48  molprobity  1.000  
 71   71  tp        -55.1   -43.5  Favored     ?    11  14.410     8  0.46    11  0.62  molprobity  1.000  
 72   72  mt        -68.1   -39.2  Favored     ?    11  19.570     8  0.22    11  0.35  molprobity  1.000  
 73   73  ptt-85    -80.8    -6.5  Favored     ?    13  30.320    11  0.31    14  0.71  molprobity  1.000  
 74   74  mmt      -102.2   -53.5  Favored     ?     9  18.440     8  0.20    10  0.65  molprobity  1.000  
 75   75  mmtt      -96.4   -24.0  Favored     ?    13  18.030     9  0.40    11  0.60  molprobity  1.000  
 76   76  ?          84.6   162.2  Favored     ?     3  15.160     4  0.75     5  0.44  molprobity  1.000  
 77   77  tp-100    -71.5   -34.5  Favored     ?     8  17.130     9  0.34    12  0.47  molprobity  1.000  
 78   78  tp10      -60.9   -38.4  Favored     ?     6  36.610     9  0.25    12  0.34  molprobity  1.000  
 79   79  t80       -61.1   -48.6  Favored     ?     9  17.880    13  0.43    18  0.55  molprobity  1.000  
 80   80  mt        -61.0   -46.1  Favored     ?    11  12.900     8  0.40    11  0.41  molprobity  1.000  
 81   81  m-20      -54.5   -44.8  Favored     ?     6  15.990     8  0.36    11  0.60  molprobity  1.000  
 82   82  m120      -64.1   -36.9  Favored     1     6  23.920     8  0.49    11  0.37  molprobity  1.000  
 83   83  mm        -56.7   -39.1  Favored     ?    11  16.230     8  0.48    11  0.34  molprobity  1.000  
 84   84  m-70      -90.0    -7.3  Favored     ?     7  14.580    11  1.10    15  0.41  molprobity  1.000  
 85   85  tp        -64.6   -33.7  Favored     ?    11  22.250     8  0.18    11  0.50  molprobity  1.000  
 86   86  p        -129.2   -20.4  Favored     ?     7  28.440     7  0.41    10  0.86  molprobity  1.000  
 87   87  m80           ?       ?  ?           ?     7  28.950    10  1.12    12  0.36  molprobity  1.000  
 88   88  ?             ?       ?  ?           ?     8  21.450     4  0.72     1  0.64  mogul       1.000  
 89   89  ?             ?       ?  ?           ?    12  27.880     9  0.61     7  0.85  mogul       1.000  
 90   90  Cg_exo        ?       ?  ?           ?     7  23.460     7  1.05     8  1.91  molprobity  1.000  
 91   91  ?             ?       ?  ?           ?     5  32.900     ?     ?     ?     ?  ?           1.000  
 92   92  ?             ?       ?  ?           ?     ?  14.260     ?     ?     ?     ?  ?           1.000  
 93   93  ?             ?       ?  ?           ?     ?  18.520     ?     ?     ?     ?  ?           1.000  
 94   94  ?             ?       ?  ?           ?     ?  15.080     ?     ?     ?     ?  ?           1.000  
 95   95  ?             ?       ?  ?           ?     ?  16.810     ?     ?     ?     ?  ?           1.000  
 96   96  ?             ?       ?  ?           ?     ?  20.510     ?     ?     ?     ?  ?           1.000  
 97   97  ?             ?       ?  ?           ?     ?  19.950     ?     ?     ?     ?  ?           1.000  
 98   98  ?             ?       ?  ?           ?     ?  20.260     ?     ?     ?     ?  ?           1.000  
 99   99  ?             ?       ?  ?           ?     ?  22.120     ?     ?     ?     ?  ?           1.000  
100  100  ?             ?       ?  ?           ?     ?  21.700     ?     ?     ?     ?  ?           1.000  
101  101  ?             ?       ?  ?           ?     ?  26.930     ?     ?     ?     ?  ?           1.000  
102  102  ?             ?       ?  ?           ?     ?  27.680     ?     ?     ?     ?  ?           1.000  
103  103  ?             ?       ?  ?           ?     ?  25.480     ?     ?     ?     ?  ?           1.000  
104  104  ?             ?       ?  ?           ?     ?  22.840     ?     ?     ?     ?  ?           1.000  
105  105  ?             ?       ?  ?           ?     ?  27.080     ?     ?     ?     ?  ?           1.000  
106  106  ?             ?       ?  ?           ?     ?  23.800     ?     ?     ?     ?  ?           1.000  
107  107  ?             ?       ?  ?           ?     ?  23.700     ?     ?     ?     ?  ?           1.000  
108  108  ?             ?       ?  ?           ?     ?  28.080     ?     ?     ?     ?  ?           1.000  
109  109  ?             ?       ?  ?           ?     ?  25.600     ?     ?     ?     ?  ?           1.000  
110  110  ?             ?       ?  ?           ?     ?  29.020     ?     ?     ?     ?  ?           1.000  
111  111  ?             ?       ?  ?           ?     ?  28.760     ?     ?     ?     ?  ?           1.000  
112  112  ?             ?       ?  ?           ?     ?  38.710     ?     ?     ?     ?  ?           1.000  
113  113  ?             ?       ?  ?           ?     ?  39.070     ?     ?     ?     ?  ?           1.000  
114  114  ?             ?       ?  ?           ?     ?  29.380     ?     ?     ?     ?  ?           1.000  
115  115  ?             ?       ?  ?           ?     ?  22.850     ?     ?     ?     ?  ?           1.000  
116  116  ?             ?       ?  ?           ?     ?  29.670     ?     ?     ?     ?  ?           1.000  
117  117  ?             ?       ?  ?           ?     ?  27.110     ?     ?     ?     ?  ?           1.000  
118  118  ?             ?       ?  ?           ?     ?  28.870     ?     ?     ?     ?  ?           1.000  
119  119  ?             ?       ?  ?           ?     ?  29.280     ?     ?     ?     ?  ?           1.000  
120  120  ?             ?       ?  ?           ?     ?  25.320     ?     ?     ?     ?  ?           1.000  
121  121  ?             ?       ?  ?           ?     ?  23.280     ?     ?     ?     ?  ?           1.000  
122  122  ?             ?       ?  ?           ?     ?  28.660     ?     ?     ?     ?  ?           1.000  
123  123  ?             ?       ?  ?           ?     ?  24.310     ?     ?     ?     ?  ?           1.000  
124  124  ?             ?       ?  ?           ?     ?  26.920     ?     ?     ?     ?  ?           1.000  
125  125  ?             ?       ?  ?           ?     ?  29.990     ?     ?     ?     ?  ?           1.000  
126  126  ?             ?       ?  ?           ?     ?  38.440     ?     ?     ?     ?  ?           1.000  
127  127  ?             ?       ?  ?           ?     ?  32.790     ?     ?     ?     ?  ?           1.000  
128  128  ?             ?       ?  ?           ?     ?  29.120     ?     ?     ?     ?  ?           1.000  
129  129  ?             ?       ?  ?           ?     ?  34.890     ?     ?     ?     ?  ?           1.000  
130  130  ?             ?       ?  ?           ?     ?  32.950     ?     ?     ?     ?  ?           1.000  
131  131  ?             ?       ?  ?           ?     ?  25.680     ?     ?     ?     ?  ?           1.000  
132  132  ?             ?       ?  ?           ?     ?  27.780     ?     ?     ?     ?  ?           1.000  
133  133  ?             ?       ?  ?           ?     ?  34.370     ?     ?     ?     ?  ?           1.000  
134  134  ?             ?       ?  ?           ?     ?  25.200     ?     ?     ?     ?  ?           1.000  
135  135  ?             ?       ?  ?           ?     ?  33.490     ?     ?     ?     ?  ?           1.000  
136  136  ?             ?       ?  ?           ?     ?  35.710     ?     ?     ?     ?  ?           1.000  
137  137  ?             ?       ?  ?           ?     ?  33.090     ?     ?     ?     ?  ?           1.000  
138  138  ?             ?       ?  ?           ?     ?  31.270     ?     ?     ?     ?  ?           1.000  
139  139  ?             ?       ?  ?           ?     ?  28.770     ?     ?     ?     ?  ?           1.000  
140  140  ?             ?       ?  ?           ?     ?  36.000     ?     ?     ?     ?  ?           1.000  
141  141  ?             ?       ?  ?           ?     ?  26.340     ?     ?     ?     ?  ?           1.000  
142  142  ?             ?       ?  ?           ?     ?  33.210     ?     ?     ?     ?  ?           1.000  
143  143  ?             ?       ?  ?           ?     ?  31.310     ?     ?     ?     ?  ?           1.000  
144  144  ?             ?       ?  ?           ?     ?  38.370     ?     ?     ?     ?  ?           1.000  
145  145  ?             ?       ?  ?           ?     ?  30.330     ?     ?     ?     ?  ?           1.000  
146  146  ?             ?       ?  ?           ?     ?  41.770     ?     ?     ?     ?  ?           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    4  HE1   1  0.51  1.93  
 2    4  CE1   2  0.46  2.67  
 3    4  HD2   3  0.44  1.83  
 4   15  HB2   4  0.47  1.95  
 5   18  HG23  4  0.47  1.95  
 6   21  HB3   5  0.57  2.34  
 7   21  HB3   6  0.52  1.91  
 8   22  CD    5  0.57  2.34  
 9   22  HD2   6  0.52  1.91  
10   23  OE2   1  0.51  1.93  
11   23  OE2   2  0.46  2.67  
12   24  NE2   7  0.48  2.46  
13   27  HA    3  0.44  1.83  
14  103  O     7  0.48  2.46  
#
loop_
_pdbx_vrpt_instance_intra_bond_outliers.ordinal
_pdbx_vrpt_instance_intra_bond_outliers.instance_id
_pdbx_vrpt_instance_intra_bond_outliers.atom_1
_pdbx_vrpt_instance_intra_bond_outliers.atom_2
_pdbx_vrpt_instance_intra_bond_outliers.obs
_pdbx_vrpt_instance_intra_bond_outliers.mean
_pdbx_vrpt_instance_intra_bond_outliers.stdev
_pdbx_vrpt_instance_intra_bond_outliers.Z
1  14  CD2  CE2  1.470  1.409  0.012  5.05  
2  64  CD2  CE2  1.470  1.409  0.012  5.08  
#
loop_
_pdbx_vrpt_model_instance_density.ordinal
_pdbx_vrpt_model_instance_density.instance_id
_pdbx_vrpt_model_instance_density.natoms_eds
_pdbx_vrpt_model_instance_density.RSRCC
_pdbx_vrpt_model_instance_density.RSR
_pdbx_vrpt_model_instance_density.RSRZ
  1    1   8  0.873  0.143   1.011  
  2    2   9  0.920  0.127   0.223  
  3    3   7  0.964  0.097   0.113  
  4    4  10  0.944  0.086  -0.187  
  5    5   5  0.955  0.107   0.396  
  6    6   5  0.934  0.093   0.081  
  7    7  11  0.962  0.087  -0.479  
  8    8   8  0.981  0.063  -0.706  
  9    9  11  0.881  0.190   1.235  
 10   10   7  0.945  0.090  -0.039  
 11   11  11  0.911  0.129   1.084  
 12   12   8  0.925  0.108   0.260  
 13   13  12  0.900  0.118   0.794  
 14   14  14  0.957  0.087   0.027  
 15   15   7  0.958  0.081  -0.254  
 16   16   6  0.945  0.093  -0.062  
 17   17   6  0.949  0.091  -0.100  
 18   18   7  0.957  0.092  -0.052  
 19   19   7  0.956  0.121   0.559  
 20   20   7  0.946  0.119   0.653  
 21   21   9  0.944  0.098  -0.263  
 22   22   7  0.949  0.085  -0.173  
 23   23   9  0.922  0.134   0.099  
 24   24   9  0.927  0.118   0.072  
 25   25   8  0.983  0.071  -0.688  
 26   26   5  0.947  0.106   0.374  
 27   27   5  0.937  0.108   0.419  
 28   28   5  0.975  0.088  -0.032  
 29   29   4  0.981  0.080  -0.186  
 30   30  11  0.969  0.072  -0.513  
 31   31  12  0.923  0.107   0.496  
 32   32  12  0.963  0.082  -0.182  
 33   33   7  0.957  0.079  -0.392  
 34   34   4  0.943  0.076  -0.264  
 35   35  11  0.914  0.110  -0.097  
 36   36   8  0.958  0.079  -0.391  
 37   37   8  0.961  0.071  -0.579  
 38   38   8  0.954  0.076  -0.495  
 39   39   7  0.980  0.075  -0.496  
 40   40   9  0.954  0.125  -0.081  
 41   41   6  0.978  0.059  -0.635  
 42   42  11  0.955  0.077  -0.373  
 43   43   6  0.953  0.084  -0.235  
 44   44   6  0.987  0.054  -0.781  
 45   45   8  0.916  0.149   0.730  
 46   46   4  0.956  0.104   0.283  
 47   47   4  0.963  0.067  -0.439  
 48   48   8  0.977  0.064  -0.872  
 49   49  11  0.934  0.095  -0.346  
 50   50   6  0.982  0.073  -0.225  
 51   51  14  0.964  0.090   0.117  
 52   52   9  0.918  0.118  -0.137  
 53   53   6  0.946  0.097   0.015  
 54   54   4  0.945  0.110   0.400  
 55   55   8  0.929  0.105  -0.008  
 56   56   8  0.888  0.146   0.680  
 57   57   7  0.946  0.084  -0.193  
 58   58  14  0.945  0.093   0.207  
 59   59   7  0.973  0.093  -0.026  
 60   60   9  0.926  0.107  -0.299  
 61   61  10  0.941  0.085  -0.205  
 62   62   5  0.968  0.069  -0.459  
 63   63   9  0.925  0.133   0.044  
 64   64  14  0.960  0.098   0.356  
 65   65  11  0.938  0.107   0.468  
 66   66   7  0.963  0.074  -0.396  
 67   67   4  0.944  0.087  -0.049  
 68   68   6  0.983  0.058  -0.664  
 69   69   9  0.921  0.174   0.688  
 70   70  11  0.950  0.112   0.608  
 71   71   8  0.958  0.091  -0.165  
 72   72   8  0.976  0.078  -0.513  
 73   73  11  0.923  0.114  -0.030  
 74   74   8  0.961  0.086  -0.212  
 75   75   9  0.968  0.086  -0.692  
 76   76   4  0.944  0.091   0.029  
 77   77   9  0.959  0.085  -0.481  
 78   78   9  0.924  0.167   0.585  
 79   79  12  0.959  0.081  -0.209  
 80   80   8  0.972  0.105   0.209  
 81   81   8  0.970  0.074  -0.480  
 82   82   8  0.932  0.104   0.055  
 83   83   8  0.958  0.081  -0.433  
 84   84  10  0.941  0.095  -0.019  
 85   85   8  0.944  0.111   0.359  
 86   86   7  0.943  0.113   0.461  
 87   87  10  0.914  0.119   0.429  
 88   88   6  0.945  0.123       ?  
 89   89  10  0.941  0.126       ?  
 90   90   7  0.966  0.108   0.295  
 91   91  12  0.763  0.175       ?  
 92   92   1  0.999  0.044       ?  
 93   93   1  0.999  0.022       ?  
 94   94   1  0.980  0.068       ?  
 95   95   1  0.961  0.069       ?  
 96   96   1  0.945  0.095       ?  
 97   97   1  0.968  0.071       ?  
 98   98   1  0.941  0.136       ?  
 99   99   1  0.970  0.088       ?  
100  100   1  0.975  0.127       ?  
101  101   1  0.956  0.098       ?  
102  102   1  0.928  0.142       ?  
103  103   1  0.963  0.099       ?  
104  104   1  0.942  0.082       ?  
105  105   1  0.883  0.124       ?  
106  106   1  0.963  0.118       ?  
107  107   1  0.972  0.118       ?  
108  108   1  0.843  0.332       ?  
109  109   1  0.935  0.102       ?  
110  110   1  0.926  0.137       ?  
111  111   1  0.851  0.138       ?  
112  112   1  0.844  0.160       ?  
113  113   1  0.833  0.158       ?  
114  114   1  0.955  0.153       ?  
115  115   1  0.970  0.103       ?  
116  116   1  0.943  0.112       ?  
117  117   1  0.949  0.089       ?  
118  118   1  0.982  0.164       ?  
119  119   1  0.924  0.140       ?  
120  120   1  0.880  0.199       ?  
121  121   1  0.946  0.195       ?  
122  122   1  0.929  0.092       ?  
123  123   1  0.943  0.107       ?  
124  124   1  0.923  0.097       ?  
125  125   1  0.853  0.141       ?  
126  126   1  0.891  0.383       ?  
127  127   1  0.845  0.226       ?  
128  128   1  0.801  0.384       ?  
129  129   1  0.857  0.383       ?  
130  130   1  0.859  0.134       ?  
131  131   1  0.902  0.217       ?  
132  132   1  0.973  0.103       ?  
133  133   1  0.742  0.270       ?  
134  134   1  0.927  0.101       ?  
135  135   1  0.893  0.352       ?  
136  136   1  0.919  0.134       ?  
137  137   1  0.811  0.210       ?  
138  138   1  0.850  0.313       ?  
139  139   1  0.944  0.161       ?  
140  140   1  0.793  0.134       ?  
141  141   1  0.916  0.239       ?  
142  142   1  0.943  0.136       ?  
143  143   1  0.918  0.096       ?  
144  144   1  0.850  0.165       ?  
145  145   1  0.952  0.195       ?  
146  146   1  0.773  0.194       ?  
#
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  
##
