data_3O6E

loop_
_pdbx_vrpt_database.id
_pdbx_vrpt_database.code
PDB  3O6E    
NDB  NA0648  
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    3O6E
_pdbx_vrpt_summary.PDB_deposition_date         2010-07-28
_pdbx_vrpt_summary.PDB_revision_number         4
_pdbx_vrpt_summary.PDB_revision_date           2023-09-06
_pdbx_vrpt_summary.RNA_suiteness               0.43
_pdbx_vrpt_summary.report_creation_date        2023-08-30:02:04
_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  "Piwi-like protein 1"  
2  polymer  "RNA (5'-R(*GP*CP*GP*AP*AP*UP*AP*UP*UP*CP*GP*CP*UP*(OMU))-3')"  
3  water    water  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  2  
C  3  
D  3  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all    x-ray  
2  2.904  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                
6  RNAsuiteness_percent          
#
loop_
_pdbx_vrpt_percentile_conditions.id
_pdbx_vrpt_percentile_conditions.percentile_list_id
_pdbx_vrpt_percentile_conditions.type_id
_pdbx_vrpt_percentile_conditions.rank
_pdbx_vrpt_percentile_conditions.number_entries_total
_pdbx_vrpt_percentile_conditions.res_high
_pdbx_vrpt_percentile_conditions.res_low
 1  1  1   67.85  141614     ?     ?  
 2  2  1   85.68    2172  2.90  2.90  
 3  1  2   15.42  138981     ?     ?  
 4  2  2   44.96    2115  2.90  2.90  
 5  1  3  100.00  138945     ?     ?  
 6  2  3  100.00    2117  2.90  2.90  
 7  1  4   44.79  127900     ?     ?  
 8  2  4   39.51    1906  2.90  2.90  
 9  1  5    5.15  130704     ?     ?  
10  2  5   14.71    1957  2.90  2.90  
11  1  6   26.66    3102     ?     ?  
12  2  6   26.22    1007  2.64  3.16  
#
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  X   15.42  
2  4  2  A  1  1  X   44.96  
3  5  3  A  1  1  X  100.00  
4  6  3  A  1  1  X  100.00  
5  7  4  A  1  1  X   40.11  
6  8  4  A  1  1  X   35.73  
7  7  4  B  1  2  A  100.00  
8  8  4  B  1  2  A  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  X  0.46  0.33  872  1180  
2  1  2  B  A  1.01  0.60  303   470  
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  0.97
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       0.00
_pdbx_vrpt_summary_geometry.clashscore                     3.79
_pdbx_vrpt_summary_geometry.num_H_reduce                   964
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 1175
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.41
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                1650
_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            15.650
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         58.458
_pdbx_vrpt_summary_diffraction.I_over_sigma              3.46(2.90A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        3417
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.291
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.466
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.303
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.904
_pdbx_vrpt_summary_diffraction.DCC_R                     0.25
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.30
_pdbx_vrpt_summary_diffraction.EDS_R                     0.26
_pdbx_vrpt_summary_diffraction.EDS_res_high              2.90
_pdbx_vrpt_summary_diffraction.EDS_res_low               28.66
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[75.641,75.641,37.780,0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.601
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 10.59% 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         2
_pdbx_vrpt_summary_diffraction.centric_outliers          0
_pdbx_vrpt_summary_diffraction.data_completeness         95.31
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      307
_pdbx_vrpt_summary_diffraction.percent_free_reflections  8.98
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     3.39
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       2.90
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        15.00
_pdbx_vrpt_summary_diffraction.PDB_R                     0.26
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.31
#
loop_
_pdbx_vrpt_model_instance.id
_pdbx_vrpt_model_instance.PDB_model_num
_pdbx_vrpt_model_instance.entity_id
_pdbx_vrpt_model_instance.label_asym_id
_pdbx_vrpt_model_instance.label_seq_id
_pdbx_vrpt_model_instance.label_comp_id
_pdbx_vrpt_model_instance.auth_asym_id
_pdbx_vrpt_model_instance.auth_seq_id
_pdbx_vrpt_model_instance.label_alt_id
_pdbx_vrpt_model_instance.PDB_ins_code
_pdbx_vrpt_model_instance.count_clashes
_pdbx_vrpt_model_instance.count_mogul_angle_outliers
  1  1  1  A    2  GLU  X  277  .  ?        ?     ?  
  2  1  1  A    3  THR  X  278  .  ?        ?     ?  
  3  1  1  A    4  VAL  X  279  .  ?        ?     ?  
  4  1  1  A    5  LEU  X  280  .  ?        ?     ?  
  5  1  1  A    6  ASP  X  281  .  ?        ?     ?  
  6  1  1  A    7  PHE  X  282  .  ?        ?     ?  
  7  1  1  A    8  MSE  X  283  .  ?        ?     ?  
  8  1  1  A    9  PHE  X  284  .  ?        ?     ?  
  9  1  1  A   10  ASN  X  285  .  ?        ?     ?  
 10  1  1  A   11  PHE  X  286  .  ?        ?     ?  
 11  1  1  A   12  TYR  X  287  .  ?        ?     ?  
 12  1  1  A   13  HIS  X  288  .  ?        1     ?  
 13  1  1  A   14  GLN  X  289  .  ?        ?     ?  
 14  1  1  A   15  THR  X  290  .  ?        ?     ?  
 15  1  1  A   16  GLU  X  291  .  ?        ?     ?  
 16  1  1  A   17  GLU  X  292  .  ?        ?     ?  
 17  1  1  A   18  HIS  X  293  .  ?        ?     ?  
 18  1  1  A   19  LYS  X  294  .  ?        ?     ?  
 19  1  1  A   20  PHE  X  295  .  ?        ?     ?  
 20  1  1  A   21  GLN  X  296  .  ?        ?     ?  
 21  1  1  A   22  GLU  X  297  .  ?        ?     ?  
 22  1  1  A   23  GLN  X  298  .  ?        ?     ?  
 23  1  1  A   24  VAL  X  299  .  ?        ?     ?  
 24  1  1  A   25  SER  X  300  .  ?        1     ?  
 25  1  1  A   26  LYS  X  301  .  ?        ?     ?  
 26  1  1  A   27  GLU  X  302  .  ?        ?     ?  
 27  1  1  A   28  LEU  X  303  .  ?        ?     ?  
 28  1  1  A   29  ILE  X  304  .  ?        ?     ?  
 29  1  1  A   30  GLY  X  305  .  ?        ?     ?  
 30  1  1  A   31  LEU  X  306  .  ?        ?     ?  
 31  1  1  A   32  VAL  X  307  .  ?        ?     ?  
 32  1  1  A   33  VAL  X  308  .  ?        ?     ?  
 33  1  1  A   34  LEU  X  309  .  ?        ?     ?  
 34  1  1  A   35  THR  X  310  .  ?        ?     ?  
 35  1  1  A   36  LYS  X  311  .  ?        ?     ?  
 36  1  1  A   37  TYR  X  312  .  ?        ?     ?  
 37  1  1  A   38  ASN  X  313  .  ?        ?     ?  
 38  1  1  A   39  ASN  X  314  .  ?        ?     ?  
 39  1  1  A   40  LYS  X  315  .  ?        ?     ?  
 40  1  1  A   41  THR  X  316  .  ?        ?     ?  
 41  1  1  A   42  TYR  X  317  .  ?        ?     ?  
 42  1  1  A   43  ARG  X  318  .  ?        ?     ?  
 43  1  1  A   44  VAL  X  319  .  ?        ?     ?  
 44  1  1  A   45  ASP  X  320  .  ?        ?     ?  
 45  1  1  A   46  ASP  X  321  .  ?        ?     ?  
 46  1  1  A   47  ILE  X  322  .  ?        1     ?  
 47  1  1  A   48  ASP  X  323  .  ?        ?     ?  
 48  1  1  A   49  TRP  X  324  .  ?        ?     ?  
 49  1  1  A   50  ASP  X  325  .  ?        ?     ?  
 50  1  1  A   51  GLN  X  326  .  ?        ?     ?  
 51  1  1  A   52  ASN  X  327  .  ?        2     ?  
 52  1  1  A   53  PRO  X  328  .  ?        2     ?  
 53  1  1  A   54  LYS  X  329  .  ?        ?     ?  
 54  1  1  A   55  SER  X  330  .  ?        ?     ?  
 55  1  1  A   56  THR  X  331  .  ?        ?     ?  
 56  1  1  A   57  PHE  X  332  .  ?        ?     ?  
 57  1  1  A   58  LYS  X  333  .  ?        ?     ?  
 58  1  1  A   59  LYS  X  334  .  ?        ?     ?  
 59  1  1  A   60  ALA  X  335  .  ?        ?     ?  
 60  1  1  A   61  ASP  X  336  .  ?        ?     ?  
 61  1  1  A   62  GLY  X  337  .  ?        ?     ?  
 62  1  1  A   63  SER  X  338  .  ?        ?     ?  
 63  1  1  A   64  GLU  X  339  .  ?        ?     ?  
 64  1  1  A   65  VAL  X  340  .  ?        ?     ?  
 65  1  1  A   66  SER  X  341  .  ?        ?     ?  
 66  1  1  A   67  PHE  X  342  .  ?        ?     ?  
 67  1  1  A   68  LEU  X  343  .  ?        ?     ?  
 68  1  1  A   69  GLU  X  344  .  ?        ?     ?  
 69  1  1  A   70  TYR  X  345  .  ?        ?     ?  
 70  1  1  A   71  TYR  X  346  .  ?        ?     ?  
 71  1  1  A   72  ARG  X  347  .  ?        ?     ?  
 72  1  1  A   73  LYS  X  348  .  ?        ?     ?  
 73  1  1  A   74  GLN  X  349  .  ?        ?     ?  
 74  1  1  A   75  TYR  X  350  .  ?        ?     ?  
 75  1  1  A   76  ASN  X  351  .  ?        ?     ?  
 76  1  1  A   77  GLN  X  352  .  ?        ?     ?  
 77  1  1  A   78  GLU  X  353  .  ?        ?     ?  
 78  1  1  A   79  ILE  X  354  .  ?        ?     ?  
 79  1  1  A   80  THR  X  355  .  ?        ?     ?  
 80  1  1  A   81  ASP  X  356  .  ?        ?     ?  
 81  1  1  A   82  LEU  X  357  .  ?        ?     ?  
 82  1  1  A   83  LYS  X  358  .  ?        ?     ?  
 83  1  1  A   84  GLN  X  359  .  ?        ?     ?  
 84  1  1  A   85  PRO  X  360  .  ?        ?     ?  
 85  1  1  A   86  VAL  X  361  .  ?        ?     ?  
 86  1  1  A   87  LEU  X  362  .  ?        1     ?  
 87  1  1  A   88  VAL  X  363  .  ?        ?     ?  
 88  1  1  A   89  SER  X  364  .  ?        ?     ?  
 89  1  1  A   90  GLN  X  365  .  ?        1     ?  
 90  1  1  A   91  PRO  X  366  .  ?        1     ?  
 91  1  1  A   92  LYS  X  367  .  ?        ?     ?  
 92  1  1  A  103  GLY  X  378  .  ?        ?     ?  
 93  1  1  A  104  PRO  X  379  .  ?        ?     ?  
 94  1  1  A  105  ALA  X  380  .  ?        ?     ?  
 95  1  1  A  106  MSE  X  381  .  ?        1     ?  
 96  1  1  A  107  LEU  X  382  .  ?        1     ?  
 97  1  1  A  108  ILE  X  383  .  ?        ?     ?  
 98  1  1  A  109  PRO  X  384  .  ?        ?     ?  
 99  1  1  A  110  GLU  X  385  .  ?        ?     ?  
100  1  1  A  111  LEU  X  386  .  ?        ?     ?  
101  1  1  A  112  CYS  X  387  .  ?        ?     ?  
102  1  1  A  113  TYR  X  388  .  ?        ?     ?  
103  1  1  A  114  LEU  X  389  .  ?        ?     ?  
104  1  1  A  115  THR  X  390  .  ?        ?     ?  
105  1  1  A  116  GLY  X  391  .  ?        ?     ?  
106  1  1  A  117  LEU  X  392  .  ?        ?     ?  
107  1  1  A  118  THR  X  393  .  ?        ?     ?  
108  1  2  B    1  G    A    1  .  ?        ?     ?  
109  1  2  B    2  C    A    2  .  ?        1     ?  
110  1  2  B    3  G    A    3  .  ?        1     ?  
111  1  2  B    4  A    A    4  .  ?        ?     ?  
112  1  2  B    5  A    A    5  .  ?        ?     ?  
113  1  2  B    6  U    A    6  .  ?        ?     ?  
114  1  2  B    7  A    A    7  .  ?        ?     ?  
115  1  2  B    8  U    A    8  .  ?        ?     ?  
116  1  2  B    9  U    A    9  .  ?        ?     ?  
117  1  2  B   10  C    A   10  .  ?        ?     ?  
118  1  2  B   11  G    A   11  .  ?        ?     ?  
119  1  2  B   12  C    A   12  .  ?        ?     ?  
120  1  2  B   13  U    A   13  .  ?        ?     ?  
121  1  2  B   14  OMU  A   14  .  ?        1     1  
122  1  3  C    .  HOH  X    1  .  ?        1     ?  
123  1  3  C    .  HOH  X    2  .  ?        ?     ?  
124  1  3  C    .  HOH  X    4  .  ?        ?     ?  
125  1  3  C    .  HOH  X    5  .  ?        ?     ?  
126  1  3  C    .  HOH  X    6  .  ?        ?     ?  
127  1  3  D    .  HOH  A   15  .  ?        ?     ?  
#
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.RNA_score
_pdbx_vrpt_model_instance_geometry.RNA_suite
_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  tt0           ?       ?  ?           ?     ?  ?                     5  57.310     9  0.70    12  0.34  molprobity  1.000  
  2    2  p         -91.6   169.1  Favored     ?     ?  ?                     7  51.640     7  0.43    10  0.61  molprobity  1.000  
  3    3  t         -66.8   -38.1  Favored     ?     ?  ?                     9  52.960     7  0.31    10  0.27  molprobity  1.000  
  4    4  tp        -60.7   -43.0  Favored     ?     ?  ?                    11  53.190     8  0.26    11  0.52  molprobity  1.000  
  5    5  m-20      -58.0   -46.1  Favored     ?     ?  ?                     4  57.080     8  0.22    11  0.70  molprobity  1.000  
  6    6  t80       -56.9   -37.7  Favored     ?     ?  ?                     9  64.960    11  0.64    13  0.36  molprobity  1.000  
  7    7  mtt       -63.7   -43.5  Favored     ?     ?  ?                     9  64.520     8  0.22    10  0.39  molprobity  1.000  
  8    8  ?         -87.6     6.6  Favored     ?     ?  ?                     2  66.760     5  0.18     7  0.29  molprobity  1.000  
  9    9  m120     -120.7   -53.5  Favored     1     ?  ?                     6  70.060     8  0.38    11  0.55  molprobity  1.000  
 10   10  t80       -68.7   -37.6  Favored     ?     ?  ?                     9  77.860    12  0.68    16  0.31  molprobity  1.000  
 11   11  t80      -143.0   131.2  Favored     ?     ?  ?                     9  83.720    13  0.44    18  0.38  molprobity  1.000  
 12   12  m-70     -110.5   120.4  Favored     ?     ?  ?                     7  79.650    11  0.17    15  0.30  molprobity  1.000  
 13   13  ?        -134.0   127.0  Favored     ?     ?  ?                     2  82.170     5  0.19     7  0.33  molprobity  1.000  
 14   14  t         -75.4   -28.0  Favored     ?     ?  ?                     7  88.670     7  0.49    10  0.42  molprobity  1.000  
 15   15  tp10      -76.6   121.0  Favored     ?     ?  ?                     6  92.080     9  0.29    12  0.42  molprobity  1.000  
 16   16  tt0       -66.8   -42.5  Favored     ?     ?  ?                     6  79.250     9  0.27    12  0.34  molprobity  1.000  
 17   17  t60       -68.2   -39.7  Favored     ?     ?  ?                     7  87.000    11  0.13    15  0.23  molprobity  1.000  
 18   18  ?         -64.9   -34.2  Favored     ?     ?  ?                     2  83.050     5  0.17     7  0.25  molprobity  1.000  
 19   19  t80       -67.9   -44.8  Favored     ?     ?  ?                     9  68.000    12  0.53    16  0.22  molprobity  1.000  
 20   20  mt-30     -70.3   -30.6  Favored     ?     ?  ?                     8  69.960     9  0.23    12  0.37  molprobity  1.000  
 21   21  pt-20     -78.8   -35.1  Favored     ?     ?  ?                     6  81.740     9  0.33    12  0.45  molprobity  1.000  
 22   22  ?         -76.6   -37.8  Favored     ?     ?  ?                     6  74.850     7  0.21     9  0.34  molprobity  1.000  
 23   23  t         -66.1   -44.8  Favored     ?     ?  ?                     9  63.310     7  0.27    10  0.47  molprobity  1.000  
 24   24  t         -56.7   -40.1  Favored     ?     ?  ?                     5  67.720     6  0.19     8  0.21  molprobity  1.000  
 25   25  ?         -73.1   -40.5  Favored     ?     ?  ?                     2  72.870     5  0.15     7  0.27  molprobity  1.000  
 26   26  ?         -70.2   -32.0  Favored     ?     ?  ?                     2  67.010     5  0.17     7  0.33  molprobity  1.000  
 27   27  mt        -96.6   -41.4  Favored     ?     ?  ?                    11  59.260     8  0.22    11  0.62  molprobity  1.000  
 28   28  mt        -59.7   114.7  Allowed     ?     ?  ?                    11  66.780     8  0.28    11  0.37  molprobity  1.000  
 29   29  ?         113.4     2.0  Favored     ?     ?  ?                     3  67.530     4  0.22     5  0.21  molprobity  1.000  
 30   30  mt       -101.3   145.2  Favored     ?     ?  ?                    11  62.090     8  0.23    11  0.98  molprobity  1.000  
 31   31  t         -85.3   133.2  Favored     ?     ?  ?                     9  59.850     7  0.28    10  0.42  molprobity  1.000  
 32   32  m        -120.8   143.2  Favored     ?     ?  ?                     9  52.350     7  0.24    10  0.34  molprobity  1.000  
 33   33  tp       -106.0   124.7  Favored     ?     ?  ?                    11  52.010     8  0.28    11  0.65  molprobity  1.000  
 34   34  p         -76.8   135.4  Favored     ?     ?  ?                     7  48.330     7  0.29    10  0.62  molprobity  1.000  
 35   35  ptpt      -74.0   -20.5  Favored     ?     ?  ?                    13  48.250     9  0.30    11  0.47  molprobity  1.000  
 36   36  p90      -100.1    -8.6  Favored     ?     ?  ?                     9  47.020    13  0.26    18  0.35  molprobity  1.000  
 37   37  t-20     -155.5   133.0  Favored     ?     ?  ?                     6  51.070     8  0.34    11  0.36  molprobity  1.000  
 38   38  p-10      -71.3    53.1  Allowed     ?     ?  ?                     6  56.320     8  0.41    11  0.57  molprobity  1.000  
 39   39  mttp     -122.2   146.7  Favored     ?     ?  ?                    13  53.660     9  0.31    11  0.34  molprobity  1.000  
 40   40  p        -117.9   145.2  Favored     ?     ?  ?                     7  55.330     7  0.26    10  0.69  molprobity  1.000  
 41   41  m-85     -135.8   146.0  Favored     ?     ?  ?                     9  52.530    13  0.31    18  0.32  molprobity  1.000  
 42   42  ttt-85    -87.0   134.5  Favored     ?     ?  ?                    13  65.000    11  0.22    14  0.51  molprobity  1.000  
 43   43  t         -78.0   103.7  Favored     ?     ?  ?                     9  57.190     7  0.30    10  0.43  molprobity  1.000  
 44   44  m-20      -84.6   -33.7  Favored     ?     ?  ?                     4  63.840     8  0.11    11  0.26  molprobity  1.000  
 45   45  t0       -163.9   163.3  Favored     ?     ?  ?                     4  62.360     8  0.26    11  0.51  molprobity  1.000  
 46   46  mt       -118.6   117.9  Favored     ?     ?  ?                    11  57.190     8  0.25    11  0.41  molprobity  1.000  
 47   47  t0        -94.9   101.8  Favored     ?     ?  ?                     4  57.420     8  0.24    11  0.55  molprobity  1.000  
 48   48  m95       -79.9   -14.5  Favored     ?     ?  ?                    10  58.550    16  0.30    23  0.23  molprobity  1.000  
 49   49  m-20      -78.3   -18.4  Favored     ?     ?  ?                     4  63.460     8  0.19    11  0.38  molprobity  1.000  
 50   50  mt-30    -109.7   144.4  Favored     ?     ?  ?                     8  54.350     9  0.26    12  0.49  molprobity  1.000  
 51   51  p30      -129.1  -178.9  Allowed     ?     ?  ?                     6  50.750     8  0.48    12  0.43  molprobity  1.000  
 52   52  Cg_exo    -60.1   -19.5  Favored     ?     ?  ?                     7  46.890     8  0.24    11  0.47  molprobity  1.000  
 53   53  mtpt      -87.4    -4.7  Favored     ?     ?  ?                    13  53.790     9  0.23    11  0.29  molprobity  1.000  
 54   54  m         -67.8   157.3  Favored     ?     ?  ?                     5  53.010     6  0.26     8  0.26  molprobity  1.000  
 55   55  p        -113.2   168.1  Favored     ?     ?  ?                     7  56.860     7  0.38    10  0.61  molprobity  1.000  
 56   56  p90      -150.2   155.6  Favored     ?     ?  ?                     9  54.200    12  0.57    16  0.25  molprobity  1.000  
 57   57  tttt      -85.6   119.8  Favored     ?     ?  ?                    13  66.200     9  0.21    11  0.41  molprobity  1.000  
 58   58  mtmm      -73.9   167.5  Favored     ?     ?  ?                    13  59.470     9  0.37    11  0.47  molprobity  1.000  
 59   59  ?         -58.1   -33.6  Favored     ?     ?  ?                     5  65.290     5  0.24     7  0.35  molprobity  1.000  
 60   60  p-10      -83.0    -3.5  Favored     ?     ?  ?                     4  67.490     8  0.23    11  0.31  molprobity  1.000  
 61   61  ?          93.6     0.4  Favored     ?     ?  ?                     3  69.370     4  0.31     5  0.59  molprobity  1.000  
 62   62  p         -89.1   141.2  Favored     ?     ?  ?                     5  64.250     6  0.28     8  0.38  molprobity  1.000  
 63   63  ?         -94.1   124.2  Favored     ?     ?  ?                     2  61.740     5  0.18     7  0.25  molprobity  1.000  
 64   64  m        -135.2   144.8  Favored     ?     ?  ?                     9  54.560     7  0.37    10  0.52  molprobity  1.000  
 65   65  p         -73.9   151.9  Favored     ?     ?  ?                     5  51.140     6  0.19     8  0.27  molprobity  1.000  
 66   66  m-85      -56.4   -35.6  Favored     ?     ?  ?                     9  47.940    12  0.58    16  0.32  molprobity  1.000  
 67   67  tp        -59.6   -44.9  Favored     ?     ?  ?                    11  48.560     8  0.21    11  0.57  molprobity  1.000  
 68   68  mt-10     -69.5   -44.0  Favored     ?     ?  ?                     6  54.010     9  0.25    12  0.45  molprobity  1.000  
 69   69  t80       -57.2   -52.7  Favored     ?     ?  ?                     9  48.630    13  0.36    18  0.30  molprobity  1.000  
 70   70  m-85      -77.0   -15.9  Favored     ?     ?  ?                     9  46.010    13  0.27    18  0.43  molprobity  1.000  
 71   71  ttp85     -82.0   -41.8  Favored     ?     ?  ?                    13  55.260    11  0.31    14  0.60  molprobity  1.000  
 72   72  mmmt      -74.8   -50.5  Favored     ?     ?  ?                    13  57.330     9  0.32    11  0.37  molprobity  1.000  
 73   73  tp-100    -79.5   -40.4  Favored     ?     ?  ?                     8  53.640     9  0.24    12  0.46  molprobity  1.000  
 74   74  m-85     -123.4    -3.9  Favored     ?     ?  ?                     9  50.800    13  0.33    18  0.44  molprobity  1.000  
 75   75  t30        50.7    57.1  Favored     ?     ?  ?                     6  53.400     8  0.38    11  0.57  molprobity  1.000  
 76   76  mm-40    -123.0   111.4  Favored     ?     ?  ?                     8  48.330     9  0.31    12  0.39  molprobity  1.000  
 77   77  ?         -83.7   117.5  Favored     ?     ?  ?                     2  48.720     5  0.16     7  0.33  molprobity  1.000  
 78   78  mt        -86.3   109.4  Favored     ?     ?  ?                    11  47.020     8  0.19    11  0.47  molprobity  1.000  
 79   79  p         -81.2   -40.4  Favored     ?     ?  ?                     7  49.870     7  0.29    10  0.58  molprobity  1.000  
 80   80  t0        -90.2   123.4  Favored     ?     ?  ?                     4  50.190     8  0.23    11  0.60  molprobity  1.000  
 81   81  mp       -104.9    -6.4  Favored     ?     ?  ?                    11  52.680     8  0.26    11  1.06  molprobity  1.000  
 82   82  mttt      -91.8    -7.1  Favored     ?     ?  ?                    13  57.000     9  0.28    11  0.39  molprobity  1.000  
 83   83  pt20      -72.7   154.4  Favored     ?     ?  ?                     8  49.060     9  0.33    13  0.43  molprobity  1.000  
 84   84  Cg_endo   -85.7  -175.6  Allowed     ?     ?  ?                     7  51.800     8  0.26    11  0.25  molprobity  1.000  
 85   85  m        -117.0   148.9  Favored     ?     ?  ?                     9  51.270     7  0.22    10  0.41  molprobity  1.000  
 86   86  mt        -94.0   133.3  Favored     ?     ?  ?                    11  50.950     8  0.28    11  0.45  molprobity  1.000  
 87   87  t        -100.7   132.0  Favored     ?     ?  ?                     9  57.920     7  0.21    10  0.35  molprobity  1.000  
 88   88  t        -128.6   118.0  Favored     ?     ?  ?                     5  58.960     6  0.24     8  0.28  molprobity  1.000  
 89   89  mm-40     -93.3   128.8  Favored     ?     ?  ?                     8  68.950     9  0.41    13  0.54  molprobity  1.000  
 90   90  Cg_endo   -94.3  -157.6  OUTLIER     ?     ?  ?                     7  70.540     8  0.33    11  0.58  molprobity  1.000  
 91   91  mttm          ?       ?  ?           ?     ?  ?                    13  81.390     8  0.41     8  0.69  molprobity  1.000  
 92   92  ?             ?       ?  ?           ?     ?  ?                     2  70.580     4  0.42     6  0.58  molprobity  1.000  
 93   93  Cg_endo   -73.8   158.7  Favored     ?     ?  ?                     7  66.150     8  0.17    11  0.32  molprobity  1.000  
 94   94  ?         -92.4   115.3  Favored     ?     ?  ?                     5  59.270     4  0.18     4  0.38  molprobity  1.000  
 95   95  mmm       -86.7   125.7  Favored     ?     ?  ?                     9  59.180     8  0.18    10  0.44  molprobity  1.000  
 96   96  mt       -116.6   143.8  Favored     ?     ?  ?                    11  52.010     8  0.19    11  0.34  molprobity  1.000  
 97   97  mp        -97.0   121.5  Favored     ?     ?  ?                    11  48.320     8  0.31    12  0.67  molprobity  1.000  
 98   98  Cg_exo    -47.7   -42.0  Favored     ?     ?  ?                     7  49.220     8  0.22    11  0.46  molprobity  1.000  
 99   99  tt0       -63.6   -22.4  Favored     ?     ?  ?                     6  48.630     9  0.35    12  0.45  molprobity  1.000  
100  100  mt       -107.1     9.6  Favored     ?     ?  ?                    11  48.150     8  0.24    11  0.63  molprobity  1.000  
101  101  m        -125.7   132.2  Favored     ?     ?  ?                     5  50.830     6  0.21     8  0.39  molprobity  1.000  
102  102  m-85      -85.8   179.2  Favored     ?     ?  ?                     9  55.620    13  0.29    18  0.34  molprobity  1.000  
103  103  mt       -112.9   159.2  Favored     ?     ?  ?                    11  60.860     8  0.22    11  0.55  molprobity  1.000  
104  104  m        -153.0   161.1  Favored     ?     ?  ?                     7  67.450     7  0.46    10  0.54  molprobity  1.000  
105  105  ?         -78.4   141.0  Favored     ?     ?  ?                     3  75.100     4  0.32     5  0.68  molprobity  1.000  
106  106  ?        -159.3   169.6  Favored     ?     ?  ?                     2  78.830     5  0.35     7  0.72  molprobity  1.000  
107  107  m             ?       ?  ?           ?     ?  ?                     7  87.060     6  0.49     7  0.62  molprobity  1.000  
108  108  ?             ?       ?  ?           ?  0.00  NotAvailable         12  69.930    23  0.50    37  0.85  molprobity  1.000  
109  109  ?             ?       ?  ?           ?  0.40  Rotameric            11  65.140    22  0.59    34  1.03  molprobity  1.000  
110  110  ?             ?       ?  ?           ?  0.00  NonRotameric         11  62.110    26  0.51    41  0.86  molprobity  1.000  
111  111  ?             ?       ?  ?           ?  0.80  Rotameric            11  62.280    25  0.40    39  0.83  molprobity  1.000  
112  112  ?             ?       ?  ?           ?  0.88  Rotameric            11  67.670    25  0.45    39  0.95  molprobity  1.000  
113  113  ?             ?       ?  ?           ?  0.32  Rotameric            10  73.170    22  0.66    34  1.11  molprobity  1.000  
114  114  ?             ?       ?  ?           ?  0.86  Rotameric            11  78.020    25  0.45    39  0.86  molprobity  1.000  
115  115  ?             ?       ?  ?           ?  0.67  Rotameric            10  79.800    22  0.74    34  1.14  molprobity  1.000  
116  116  ?             ?       ?  ?           ?  0.09  Rotameric            10  74.350    22  0.78    34  1.10  molprobity  1.000  
117  117  ?             ?       ?  ?           ?  0.00  Triaged/NotBinned    11  64.280    22  0.64    34  1.07  molprobity  1.000  
118  118  ?             ?       ?  ?           ?  0.62  Rotameric            11  56.180    26  0.52    41  0.93  molprobity  1.000  
119  119  ?             ?       ?  ?           ?  0.05  Rotameric            11  57.550    22  0.65    34  1.17  molprobity  1.000  
120  120  ?             ?       ?  ?           ?  0.00  NonRotameric         10  58.630    21  0.80    30  1.24  molprobity  1.000  
121  121  ?             ?       ?  ?           ?  0.48  Rotameric            13  54.860    19  0.47    26  0.67  mogul       1.000  
122  122  ?             ?       ?  ?           ?     ?  ?                     ?  33.310     ?     ?     ?     ?  ?           1.000  
123  123  ?             ?       ?  ?           ?     ?  ?                     ?  39.510     ?     ?     ?     ?  ?           1.000  
124  124  ?             ?       ?  ?           ?     ?  ?                     ?  37.060     ?     ?     ?     ?  ?           1.000  
125  125  ?             ?       ?  ?           ?     ?  ?                     ?  43.450     ?     ?     ?     ?  ?           1.000  
126  126  ?             ?       ?  ?           ?     ?  ?                     ?  35.530     ?     ?     ?     ?  ?           1.000  
127  127  ?             ?       ?  ?           ?     ?  ?                     ?  44.850     ?     ?     ?     ?  ?           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   12  HA      1  0.62  1.98  
 2   24  HA      2  0.66  1.77  
 3   46  HD12    2  0.66  1.77  
 4   51  HB2     3  0.53  2.39  
 5   51  HB2     4  0.47  1.97  
 6   52  CD      3  0.53  2.39  
 7   52  HD2     4  0.47  1.97  
 8   86  HB2     5  0.46  1.97  
 9   89  HA      6  0.43  1.84  
10   90  HD3     6  0.43  1.84  
11   95  HG2     7  0.58  1.84  
12   96  HB2     5  0.46  1.97  
13  109  "H2'"   8  0.43  2.18  
14  110  "O4'"   8  0.43  2.18  
15  121  HM21    7  0.58  1.84  
16  122  O       1  0.62  1.98  
#
_pdbx_vrpt_instance_mogul_angle_outliers.ordinal      1
_pdbx_vrpt_instance_mogul_angle_outliers.instance_id  121
_pdbx_vrpt_instance_mogul_angle_outliers.atom_1       CM2
_pdbx_vrpt_instance_mogul_angle_outliers.atom_2       "O2'"
_pdbx_vrpt_instance_mogul_angle_outliers.atom_3       "C2'"
_pdbx_vrpt_instance_mogul_angle_outliers.obsval       120.26
_pdbx_vrpt_instance_mogul_angle_outliers.mean         114.52
_pdbx_vrpt_instance_mogul_angle_outliers.numobs       3326
_pdbx_vrpt_instance_mogul_angle_outliers.stdev        2.62
_pdbx_vrpt_instance_mogul_angle_outliers.Zscore       2.18
_pdbx_vrpt_instance_mogul_angle_outliers.mindiff      0.03
#
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   9  0.837  0.205  -0.216  
  2    2   7  0.956  0.213   0.399  
  3    3   7  0.970  0.205   0.023  
  4    4   8  0.975  0.174  -0.499  
  5    5   8  0.925  0.192  -0.002  
  6    6  11  0.780  0.404   2.338  
  7    7   8  0.840  0.248       ?  
  8    8   5  0.919  0.384   2.098  
  9    9   8  0.828  0.212   0.292  
 10   10  11  0.702  0.647   5.248  
 11   11  12  0.671  0.438   3.131  
 12   12  10  0.827  0.182  -0.104  
 13   13   5  0.832  0.290   0.940  
 14   14   7  0.891  0.220   0.494  
 15   15   9  0.830  0.351   1.385  
 16   16   9  0.834  0.266   0.453  
 17   17  10  0.836  0.232   0.548  
 18   18   5  0.877  0.210  -0.337  
 19   19  11  0.929  0.178  -0.369  
 20   20   9  0.888  0.195  -0.192  
 21   21   9  0.864  0.318   1.023  
 22   22   7  0.897  0.212   0.011  
 23   23   7  0.963  0.229   0.319  
 24   24   6  0.888  0.163  -0.195  
 25   25   5  0.909  0.135  -1.090  
 26   26   5  0.919  0.124  -1.104  
 27   27   8  0.961  0.230   0.181  
 28   28   8  0.978  0.181  -0.380  
 29   29   4  0.953  0.163  -0.122  
 30   30   8  0.925  0.179  -0.438  
 31   31   7  0.963  0.170  -0.407  
 32   32   7  0.946  0.215   0.146  
 33   33   8  0.904  0.226   0.132  
 34   34   7  0.969  0.174  -0.132  
 35   35   9  0.950  0.187  -0.568  
 36   36  12  0.952  0.177  -0.281  
 37   37   8  0.917  0.173  -0.221  
 38   38   8  0.926  0.196   0.081  
 39   39   9  0.943  0.221  -0.227  
 40   40   7  0.952  0.129  -0.744  
 41   41  12  0.899  0.204   0.072  
 42   42  11  0.880  0.244   0.190  
 43   43   7  0.956  0.138  -0.801  
 44   44   8  0.897  0.160  -0.400  
 45   45   8  0.814  0.315   1.525  
 46   46   8  0.960  0.306   1.152  
 47   47   8  0.944  0.164  -0.350  
 48   48  14  0.947  0.197   0.045  
 49   49   8  0.874  0.233   0.507  
 50   50   9  0.947  0.173  -0.454  
 51   51   8  0.949  0.144  -0.602  
 52   52   7  0.944  0.130  -0.688  
 53   53   9  0.849  0.284   0.406  
 54   54   6  0.950  0.137  -0.542  
 55   55   7  0.954  0.164  -0.268  
 56   56  11  0.922  0.317   1.296  
 57   57   9  0.898  0.267   0.235  
 58   58   9  0.910  0.241  -0.026  
 59   59   5  0.943  0.242   0.722  
 60   60   8  0.791  0.198   0.072  
 61   61   4  0.894  0.170  -0.040  
 62   62   6  0.909  0.188   0.139  
 63   63   5  0.847  0.241   0.179  
 64   64   7  0.947  0.226   0.282  
 65   65   6  0.946  0.185   0.099  
 66   66  11  0.920  0.346   1.643  
 67   67   8  0.929  0.281   0.800  
 68   68   9  0.801  0.284   0.650  
 69   69  12  0.933  0.237   0.503  
 70   70  12  0.951  0.183  -0.203  
 71   71  11  0.786  0.273   0.497  
 72   72   9  0.908  0.275   0.315  
 73   73   9  0.932  0.224   0.154  
 74   74  12  0.949  0.286   1.144  
 75   75   8  0.923  0.212   0.292  
 76   76   9  0.918  0.153  -0.692  
 77   77   5  0.929  0.194  -0.337  
 78   78   8  0.961  0.186  -0.319  
 79   79   7  0.961  0.107  -1.044  
 80   80   8  0.964  0.136  -0.698  
 81   81   8  0.927  0.202  -0.159  
 82   82   9  0.869  0.235  -0.086  
 83   83   9  0.931  0.167  -0.526  
 84   84   7  0.969  0.131  -0.675  
 85   85   7  0.960  0.191  -0.149  
 86   86   8  0.960  0.177  -0.462  
 87   87   7  0.970  0.164  -0.481  
 88   88   6  0.894  0.165  -0.168  
 89   89   9  0.871  0.158  -0.633  
 90   90   7  0.905  0.171  -0.163  
 91   91   9  0.557  0.313   0.697  
 92   92   4  0.808  0.221   0.557  
 93   93   7  0.918  0.172  -0.150  
 94   94   5  0.961  0.179  -0.058  
 95   95   8  0.871  0.215       ?  
 96   96   8  0.956  0.213  -0.025  
 97   97   8  0.972  0.236   0.294  
 98   98   7  0.970  0.239   0.708  
 99   99   9  0.920  0.274   0.541  
100  100   8  0.950  0.211  -0.050  
101  101   6  0.890  0.198   0.609  
102  102  12  0.926  0.167  -0.412  
103  103   8  0.910  0.262   0.569  
104  104   7  0.819  0.208   0.331  
105  105   4  0.487  0.195   0.253  
106  106   5  0.765  0.203  -0.147  
107  107   7  0.628  0.233   0.671  
108  108  20  0.942  0.118  -0.672  
109  109  20  0.942  0.209   0.561  
110  110  23  0.914  0.171   0.143  
111  111  22  0.953  0.173   0.045  
112  112  22  0.916  0.220   0.732  
113  113  20  0.894  0.182   0.128  
114  114  22  0.889  0.200   0.440  
115  115  20  0.920  0.218   0.579  
116  116  20  0.934  0.228   0.704  
117  117  20  0.934  0.171   0.037  
118  118  23  0.964  0.145  -0.257  
119  119  20  0.956  0.134  -0.472  
120  120  20  0.950  0.144  -0.348  
121  121  21  0.959  0.155       ?  
122  122   1  0.821  0.630       ?  
123  123   1  0.793  0.248       ?  
124  124   1  0.864  0.644       ?  
125  125   1  0.947  0.262       ?  
126  126   1  0.658  0.199       ?  
127  127   1  0.637  0.510       ?  
#
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  
##
