data_4YEY

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  4YEY
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    4YEY
_pdbx_vrpt_summary.PDB_deposition_date         2015-02-24
_pdbx_vrpt_summary.PDB_revision_number         3
_pdbx_vrpt_summary.PDB_revision_date           2023-09-27
_pdbx_vrpt_summary.report_creation_date        2023-09-18:00:56
_pdbx_vrpt_summary.attempted_validation_steps  molprobity,validation-pack,xtriage,eds,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  "DNA-binding protein HU-alpha"  
2  polymer  "synthetic DNA strand"  
3  polymer  "synthetic DNA strand"  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  2  
C  3  
D  1  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all    x-ray  
2  3.354  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   20.29  141614     ?     ?  
 2  2  1   51.51    1627  3.30  3.42  
 3  1  2  100.00  138981     ?     ?  
 4  2  2  100.00    1599  3.30  3.42  
 5  1  3    5.66  138945     ?     ?  
 6  2  3   23.09    1598  3.30  3.42  
 7  1  4   52.61  127900     ?     ?  
 8  2  4   55.34    1507  3.30  3.42  
 9  1  5   12.99  130704     ?     ?  
10  2  5   49.14    1558  3.30  3.42  
#
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    5.53  
 4  6  3  A  1  1  A   22.53  
 5  7  4  A  1  1  A   36.85  
 6  8  4  A  1  1  A   39.22  
 7  7  4  B  1  2  B  100.00  
 8  8  4  B  1  2  B  100.00  
 9  7  4  C  1  3  D  100.00  
10  8  4  C  1  3  D  100.00  
11  3  2  D  1  1  C  100.00  
12  4  2  D  1  1  C  100.00  
13  5  3  D  1  1  C    5.79  
14  6  3  D  1  1  C   23.59  
15  7  4  D  1  1  C   54.05  
16  8  4  D  1  1  C   56.54  
#
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  0.72  0.46  532  714  
2  1  2  B  B  1.20  1.34  315  478  
3  1  3  C  D  1.02  1.23  314  476  
4  1  1  D  C  0.71  0.47  534  717  
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  0.00
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       11.21
_pdbx_vrpt_summary_geometry.clashscore                     12.39
_pdbx_vrpt_summary_geometry.num_H_reduce                   1436
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 1695
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.87
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                2385
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.90
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            99.601
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         129.347
_pdbx_vrpt_summary_diffraction.I_over_sigma              1.67(3.33A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        4557
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.268
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.456
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.284
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.930
_pdbx_vrpt_summary_diffraction.DCC_R                     0.26
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.28
_pdbx_vrpt_summary_diffraction.EDS_R                     0.26
_pdbx_vrpt_summary_diffraction.EDS_res_high              3.35
_pdbx_vrpt_summary_diffraction.EDS_res_low               58.08
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[145.122,141.558,123.938,0.000,34.378,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.155
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 8.29% 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         98.83
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      210
_pdbx_vrpt_summary_diffraction.percent_free_reflections  4.61
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     2.84
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       3.35
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        58.08
_pdbx_vrpt_summary_diffraction.PDB_R                     0.24
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.27
#
loop_
_pdbx_vrpt_model_instance.id
_pdbx_vrpt_model_instance.PDB_model_num
_pdbx_vrpt_model_instance.entity_id
_pdbx_vrpt_model_instance.label_asym_id
_pdbx_vrpt_model_instance.label_seq_id
_pdbx_vrpt_model_instance.label_comp_id
_pdbx_vrpt_model_instance.auth_asym_id
_pdbx_vrpt_model_instance.auth_seq_id
_pdbx_vrpt_model_instance.label_alt_id
_pdbx_vrpt_model_instance.PDB_ins_code
_pdbx_vrpt_model_instance.count_bond_outliers
_pdbx_vrpt_model_instance.count_angle_outliers
_pdbx_vrpt_model_instance.count_clashes
  1  1  1  A   1  ALA  A    0  .  ?        ?     ?     1  
  2  1  1  A   2  MET  A    1  .  ?        ?     ?     ?  
  3  1  1  A   3  ASN  A    2  .  ?        ?     ?     4  
  4  1  1  A   4  LYS  A    3  .  ?        ?     ?     1  
  5  1  1  A   5  THR  A    4  .  ?        ?     ?     ?  
  6  1  1  A   6  GLN  A    5  .  ?        ?     ?     2  
  7  1  1  A   7  LEU  A    6  .  ?        ?     ?     1  
  8  1  1  A   8  ILE  A    7  .  ?        ?     ?     4  
  9  1  1  A   9  ASP  A    8  .  ?        ?     ?     ?  
 10  1  1  A  10  VAL  A    9  .  ?        ?     ?     ?  
 11  1  1  A  11  ILE  A   10  .  ?        ?     ?     ?  
 12  1  1  A  12  ALA  A   11  .  ?        ?     ?     ?  
 13  1  1  A  13  GLU  A   12  .  ?        ?     ?     ?  
 14  1  1  A  14  LYS  A   13  .  ?        ?     ?     1  
 15  1  1  A  15  ALA  A   14  .  ?        ?     ?     ?  
 16  1  1  A  16  GLU  A   15  .  ?        ?     ?     ?  
 17  1  1  A  17  LEU  A   16  .  ?        ?     ?     ?  
 18  1  1  A  18  SER  A   17  .  ?        ?     ?     1  
 19  1  1  A  19  LYS  A   18  .  ?        ?     ?     ?  
 20  1  1  A  20  THR  A   19  .  ?        ?     ?     ?  
 21  1  1  A  21  GLN  A   20  .  ?        ?     ?     2  
 22  1  1  A  22  ALA  A   21  .  ?        ?     ?     ?  
 23  1  1  A  23  LYS  A   22  .  ?        ?     ?     3  
 24  1  1  A  24  ALA  A   23  .  ?        ?     ?     ?  
 25  1  1  A  25  ALA  A   24  .  ?        ?     ?     ?  
 26  1  1  A  26  LEU  A   25  .  ?        ?     ?     ?  
 27  1  1  A  27  GLU  A   26  .  ?        ?     ?     ?  
 28  1  1  A  28  SER  A   27  .  ?        ?     ?     ?  
 29  1  1  A  29  THR  A   28  .  ?        ?     ?     ?  
 30  1  1  A  30  LEU  A   29  .  ?        ?     ?     ?  
 31  1  1  A  31  ALA  A   30  .  ?        ?     ?     ?  
 32  1  1  A  32  ALA  A   31  .  ?        ?     ?     ?  
 33  1  1  A  33  ILE  A   32  .  ?        ?     ?     ?  
 34  1  1  A  34  THR  A   33  .  ?        ?     ?     ?  
 35  1  1  A  35  GLU  A   34  .  ?        ?     ?     ?  
 36  1  1  A  36  SER  A   35  .  ?        ?     ?     ?  
 37  1  1  A  37  LEU  A   36  .  ?        ?     ?     1  
 38  1  1  A  38  LYS  A   37  .  ?        ?     ?     1  
 39  1  1  A  39  GLU  A   38  .  ?        ?     ?     ?  
 40  1  1  A  40  GLY  A   39  .  ?        ?     ?     ?  
 41  1  1  A  41  ASP  A   40  .  ?        ?     ?     ?  
 42  1  1  A  42  ALA  A   41  .  ?        ?     ?     ?  
 43  1  1  A  43  VAL  A   42  .  ?        ?     ?     ?  
 44  1  1  A  44  GLN  A   43  .  ?        ?     ?     2  
 45  1  1  A  45  LEU  A   44  .  ?        ?     ?     ?  
 46  1  1  A  46  VAL  A   45  .  ?        ?     ?     ?  
 47  1  1  A  47  GLY  A   46  .  ?        ?     ?     ?  
 48  1  1  A  48  PHE  A   47  .  ?        ?     ?     ?  
 49  1  1  A  49  GLY  A   48  .  ?        ?     ?     ?  
 50  1  1  A  50  THR  A   49  .  ?        ?     ?     ?  
 51  1  1  A  51  PHE  A   50  .  ?        ?     ?     ?  
 52  1  1  A  52  LYS  A   51  .  ?        ?     ?     ?  
 53  1  1  A  53  VAL  A   52  .  ?        ?     ?     ?  
 54  1  1  A  54  ASN  A   53  .  ?        ?     ?     ?  
 55  1  1  A  55  HIS  A   54  .  ?        ?     ?     ?  
 56  1  1  A  56  ARG  A   55  .  ?        ?     ?     ?  
 57  1  1  A  75  ALA  A   74  .  ?        ?     ?     ?  
 58  1  1  A  76  ASN  A   75  .  ?        ?     ?     ?  
 59  1  1  A  77  VAL  A   76  .  ?        ?     ?     ?  
 60  1  1  A  78  PRO  A   77  .  ?        ?     ?     ?  
 61  1  1  A  79  ALA  A   78  .  ?        ?     ?     ?  
 62  1  1  A  80  PHE  A   79  .  ?        ?     ?     ?  
 63  1  1  A  81  VAL  A   80  .  ?        ?     ?     ?  
 64  1  1  A  82  SER  A   81  .  ?        ?     ?     ?  
 65  1  1  A  83  GLY  A   82  .  ?        ?     ?     ?  
 66  1  1  A  84  LYS  A   83  .  ?        ?     ?     ?  
 67  1  1  A  85  ALA  A   84  .  ?        ?     ?     ?  
 68  1  1  A  86  LEU  A   85  .  ?        ?     ?     1  
 69  1  1  A  87  LYS  A   86  .  ?        ?     ?     ?  
 70  1  1  A  88  ASP  A   87  .  ?        ?     ?     ?  
 71  1  1  A  89  ALA  A   88  .  ?        ?     ?     ?  
 72  1  1  A  90  VAL  A   89  .  ?        ?     ?     ?  
 73  1  1  A  91  LYS  A   90  .  ?        ?     ?     ?  
 74  1  2  B   1  DC   B    6  .  ?        1     ?     2  
 75  1  2  B   2  DC   B    7  .  ?        ?     ?     1  
 76  1  2  B   3  DC   B    8  .  ?        1     ?     2  
 77  1  2  B   4  DC   B    9  .  ?        1     ?     1  
 78  1  2  B   5  DC   B   10  .  ?        ?     ?     ?  
 79  1  2  B   6  DC   B   11  .  ?        ?     ?     1  
 80  1  2  B   7  DC   B   12  .  ?        ?     ?     ?  
 81  1  2  B   8  DC   B   13  .  ?        ?     2     ?  
 82  1  2  B   9  DC   B   14  .  ?        ?     ?     ?  
 83  1  2  B  10  DC   B   15  .  ?        1     ?     ?  
 84  1  2  B  11  DC   B   16  .  ?        ?     ?     2  
 85  1  2  B  12  DC   B   17  .  ?        ?     ?     2  
 86  1  2  B  13  DC   B   18  .  ?        ?     ?     2  
 87  1  2  B  14  DC   B   19  .  ?        ?     ?     2  
 88  1  2  B  15  DT   B   20  .  ?        ?     ?     ?  
 89  1  3  C   1  DC   D  101  .  ?        ?     ?     2  
 90  1  3  C   2  DC   D  102  .  ?        ?     ?     2  
 91  1  3  C   3  DC   D  103  .  ?        ?     ?     2  
 92  1  3  C   4  DC   D  104  .  ?        ?     ?     2  
 93  1  3  C   5  DC   D  105  .  ?        ?     ?     ?  
 94  1  3  C   6  DC   D  106  .  ?        ?     ?     ?  
 95  1  3  C   7  DC   D  107  .  ?        ?     ?     ?  
 96  1  3  C   8  DC   D  108  .  ?        ?     ?     ?  
 97  1  3  C   9  DC   D  109  .  ?        ?     ?     1  
 98  1  3  C  10  DC   D  110  .  ?        ?     ?     ?  
 99  1  3  C  11  DC   D  111  .  ?        ?     ?     1  
100  1  3  C  12  DC   D  112  .  ?        ?     ?     2  
101  1  3  C  13  DC   D  113  .  ?        ?     ?     1  
102  1  3  C  14  DC   D  114  .  ?        ?     ?     2  
103  1  3  C  15  DC   D  115  .  ?        ?     ?     ?  
104  1  1  D   1  ALA  C    0  .  ?        ?     ?     ?  
105  1  1  D   2  MET  C    1  .  ?        ?     ?     ?  
106  1  1  D   3  ASN  C    2  .  ?        ?     ?     3  
107  1  1  D   4  LYS  C    3  .  ?        ?     ?     1  
108  1  1  D   5  THR  C    4  .  ?        ?     ?     ?  
109  1  1  D   6  GLN  C    5  .  ?        ?     ?     1  
110  1  1  D   7  LEU  C    6  .  ?        ?     ?     ?  
111  1  1  D   8  ILE  C    7  .  ?        ?     ?     4  
112  1  1  D   9  ASP  C    8  .  ?        ?     ?     ?  
113  1  1  D  10  VAL  C    9  .  ?        ?     ?     ?  
114  1  1  D  11  ILE  C   10  .  ?        ?     ?     ?  
115  1  1  D  12  ALA  C   11  .  ?        ?     ?     ?  
116  1  1  D  13  GLU  C   12  .  ?        ?     ?     ?  
117  1  1  D  14  LYS  C   13  .  ?        ?     ?     ?  
118  1  1  D  15  ALA  C   14  .  ?        ?     ?     ?  
119  1  1  D  16  GLU  C   15  .  ?        ?     ?     ?  
120  1  1  D  17  LEU  C   16  .  ?        ?     ?     1  
121  1  1  D  18  SER  C   17  .  ?        ?     ?     1  
122  1  1  D  19  LYS  C   18  .  ?        ?     ?     ?  
123  1  1  D  20  THR  C   19  .  ?        ?     ?     ?  
124  1  1  D  21  GLN  C   20  .  ?        ?     ?     1  
125  1  1  D  22  ALA  C   21  .  ?        ?     ?     ?  
126  1  1  D  23  LYS  C   22  .  ?        ?     ?     3  
127  1  1  D  24  ALA  C   23  .  ?        ?     ?     ?  
128  1  1  D  25  ALA  C   24  .  ?        ?     ?     ?  
129  1  1  D  26  LEU  C   25  .  ?        ?     ?     ?  
130  1  1  D  27  GLU  C   26  .  ?        ?     ?     ?  
131  1  1  D  28  SER  C   27  .  ?        ?     ?     1  
132  1  1  D  29  THR  C   28  .  ?        ?     ?     ?  
133  1  1  D  30  LEU  C   29  .  ?        ?     ?     ?  
134  1  1  D  31  ALA  C   30  .  ?        ?     ?     ?  
135  1  1  D  32  ALA  C   31  .  ?        ?     ?     ?  
136  1  1  D  33  ILE  C   32  .  ?        ?     ?     ?  
137  1  1  D  34  THR  C   33  .  ?        ?     ?     1  
138  1  1  D  35  GLU  C   34  .  ?        ?     ?     ?  
139  1  1  D  36  SER  C   35  .  ?        ?     ?     ?  
140  1  1  D  37  LEU  C   36  .  ?        ?     ?     ?  
141  1  1  D  38  LYS  C   37  .  ?        ?     ?     ?  
142  1  1  D  39  GLU  C   38  .  ?        ?     ?     ?  
143  1  1  D  40  GLY  C   39  .  ?        ?     ?     ?  
144  1  1  D  41  ASP  C   40  .  ?        ?     ?     ?  
145  1  1  D  42  ALA  C   41  .  ?        ?     ?     1  
146  1  1  D  43  VAL  C   42  .  ?        ?     ?     ?  
147  1  1  D  44  GLN  C   43  .  ?        ?     ?     ?  
148  1  1  D  45  LEU  C   44  .  ?        ?     ?     1  
149  1  1  D  46  VAL  C   45  .  ?        ?     ?     ?  
150  1  1  D  47  GLY  C   46  .  ?        ?     ?     ?  
151  1  1  D  48  PHE  C   47  .  ?        ?     ?     ?  
152  1  1  D  49  GLY  C   48  .  ?        ?     ?     ?  
153  1  1  D  50  THR  C   49  .  ?        ?     ?     ?  
154  1  1  D  51  PHE  C   50  .  ?        ?     ?     ?  
155  1  1  D  52  LYS  C   51  .  ?        ?     ?     ?  
156  1  1  D  53  VAL  C   52  .  ?        ?     ?     ?  
157  1  1  D  54  ASN  C   53  .  ?        ?     ?     ?  
158  1  1  D  55  HIS  C   54  .  ?        ?     ?     ?  
159  1  1  D  74  ALA  C   73  .  ?        ?     ?     ?  
160  1  1  D  75  ALA  C   74  .  ?        ?     ?     ?  
161  1  1  D  76  ASN  C   75  .  ?        ?     ?     ?  
162  1  1  D  77  VAL  C   76  .  ?        ?     ?     ?  
163  1  1  D  78  PRO  C   77  .  ?        ?     ?     ?  
164  1  1  D  79  ALA  C   78  .  ?        ?     ?     ?  
165  1  1  D  80  PHE  C   79  .  ?        ?     ?     ?  
166  1  1  D  81  VAL  C   80  .  ?        ?     ?     ?  
167  1  1  D  82  SER  C   81  .  ?        ?     ?     ?  
168  1  1  D  83  GLY  C   82  .  ?        ?     ?     ?  
169  1  1  D  84  LYS  C   83  .  ?        ?     ?     ?  
170  1  1  D  85  ALA  C   84  .  ?        ?     ?     ?  
171  1  1  D  86  LEU  C   85  .  ?        ?     ?     1  
172  1  1  D  87  LYS  C   86  .  ?        ?     ?     ?  
173  1  1  D  88  ASP  C   87  .  ?        ?     ?     ?  
174  1  1  D  89  ALA  C   88  .  ?        ?     ?     1  
175  1  1  D  90  VAL  C   89  .  ?        ?     ?     ?  
176  1  1  D  91  LYS  C   90  .  ?        ?     ?     ?  
#
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  ?             ?       ?  ?           ?   7  116.600   5  0.77   7  0.59  molprobity  1.000  
  2    2  ttm       -97.5   143.1  Favored     ?   9  117.490   8  0.73  10  0.79  molprobity  1.000  
  3    3  OUTLIER  -114.6   175.2  Favored     1   6  117.010   8  0.47  11  1.01  molprobity  1.000  
  4    4  ttmm      -49.5   -44.3  Favored     ?  13  133.290   9  0.61  11  0.88  molprobity  1.000  
  5    5  OUTLIER   -66.6   -45.0  Favored     ?   7  117.490   7  0.33  10  0.85  molprobity  1.000  
  6    6  mt-30     -61.2   -44.3  Favored     ?   8  132.410   9  0.51  12  0.46  molprobity  1.000  
  7    7  tp        -63.1   -39.2  Favored     ?  11  115.510   8  0.55  11  0.85  molprobity  1.000  
  8    8  mm        -57.8   -43.5  Favored     ?  11  121.270   8  0.57  11  1.01  molprobity  1.000  
  9    9  m-20      -61.0   -44.5  Favored     ?   4  130.800   8  0.36  11  0.52  molprobity  1.000  
 10   10  t         -66.4   -42.5  Favored     ?   9  116.650   7  0.25  10  0.52  molprobity  1.000  
 11   11  mt        -62.4   -42.6  Favored     ?  11  121.760   8  0.63  11  0.63  molprobity  1.000  
 12   12  ?         -61.0   -43.2  Favored     ?   5  126.980   5  0.46   7  0.63  molprobity  1.000  
 13   13  ?         -67.7   -58.6  Favored     ?   2  125.850   5  0.35   7  0.68  molprobity  1.000  
 14   14  mttt      -59.5   -41.8  Favored     ?  13  133.160   9  0.37  11  0.68  molprobity  1.000  
 15   15  ?         -91.4    -0.3  Favored     ?   5  130.050   5  0.52   7  0.86  molprobity  1.000  
 16   16  mt-10      54.5    34.5  Favored     ?   6  148.180   9  0.34  12  0.60  molprobity  1.000  
 17   17  OUTLIER  -111.6   162.1  Favored     ?  11  137.520   8  0.53  11  0.98  molprobity  1.000  
 18   18  p         -64.5   149.6  Favored     ?   5  141.050   6  0.16   8  0.39  molprobity  1.000  
 19   19  mttt      -55.5   -29.8  Favored     ?  13  156.380   9  0.27  11  0.33  molprobity  1.000  
 20   20  p         -70.2   -42.0  Favored     ?   7  143.510   7  0.46  10  0.59  molprobity  1.000  
 21   21  mt-30     -70.1   -40.4  Favored     1   8  149.270   9  0.55  12  0.63  molprobity  1.000  
 22   22  ?         -60.9   -43.5  Favored     ?   5  128.520   5  0.49   7  0.74  molprobity  1.000  
 23   23  tttt      -61.6   -42.8  Favored     ?  13  124.940   9  0.38  11  0.65  molprobity  1.000  
 24   24  ?         -65.7   -48.1  Favored     ?   5  124.330   5  0.13   7  0.35  molprobity  1.000  
 25   25  ?         -57.8   -47.3  Favored     ?   5  120.910   5  0.50   7  0.37  molprobity  1.000  
 26   26  tp        -65.8   -40.8  Favored     ?  11  117.330   8  0.58  11  0.65  molprobity  1.000  
 27   27  mt-10     -65.1   -41.0  Favored     ?   6  128.240   9  0.38  12  1.04  molprobity  1.000  
 28   28  m         -61.3   -41.0  Favored     ?   5  121.890   6  0.54   8  0.54  molprobity  1.000  
 29   29  m         -63.2   -55.1  Favored     ?   7  114.660   7  0.54  10  0.58  molprobity  1.000  
 30   30  mt        -58.6   -39.0  Favored     ?  11  111.660   8  0.61  11  0.75  molprobity  1.000  
 31   31  ?         -67.5   -45.1  Favored     ?   5  111.530   5  0.25   7  0.40  molprobity  1.000  
 32   32  ?         -69.2   -36.2  Favored     ?   5  111.780   5  0.51   7  0.53  molprobity  1.000  
 33   33  mt        -64.8   -45.9  Favored     ?  11  117.210   8  0.44  11  0.78  molprobity  1.000  
 34   34  m         -59.8   -54.5  Favored     ?   7  126.820   7  0.39  10  0.59  molprobity  1.000  
 35   35  tp10      -55.8   -42.1  Favored     ?   6  147.860   9  0.41  12  0.72  molprobity  1.000  
 36   36  t         -64.8   -44.4  Favored     ?   5  124.790   6  0.30   8  0.35  molprobity  1.000  
 37   37  mt        -67.2   -32.9  Favored     ?  11  118.710   8  0.36  11  0.89  molprobity  1.000  
 38   38  ttmt      -60.8   -42.3  Favored     ?  13  147.430   9  0.37  11  0.93  molprobity  1.000  
 39   39  mt-10     -78.2     6.3  Favored     ?   6  152.950   9  0.57  12  0.57  molprobity  1.000  
 40   40  ?          80.3   -21.7  Favored     ?   3  128.790   4  0.49   5  0.76  molprobity  1.000  
 41   41  p-10      -78.3   121.6  Favored     ?   4  130.630   8  0.38  11  1.35  molprobity  1.000  
 42   42  ?         -62.6   150.5  Favored     ?   5  118.620   5  0.40   7  0.59  molprobity  1.000  
 43   43  t        -111.6   111.0  Favored     ?   9  113.370   7  0.49  10  0.69  molprobity  1.000  
 44   44  OUTLIER  -101.3   110.1  Favored     1   8  135.450   9  0.37  12  0.74  molprobity  1.000  
 45   45  mt       -110.7    95.7  Favored     ?  11  118.640   8  0.34  11  1.20  molprobity  1.000  
 46   46  t         -51.6   123.0  Favored     ?   9  120.070   7  0.55  10  0.68  molprobity  1.000  
 47   47  ?          98.2   -46.7  Allowed     ?   3  114.980   4  0.39   5  1.04  molprobity  1.000  
 48   48  t80       -77.5   -66.0  Allowed     ?   9  114.440  12  0.48  16  0.35  molprobity  1.000  
 49   49  ?         164.6  -178.7  Favored     ?   3  115.530   4  0.30   5  0.61  molprobity  1.000  
 50   50  m        -122.6   127.8  Favored     ?   7  119.590   7  0.42  10  0.70  molprobity  1.000  
 51   51  m-85      -94.6   112.7  Favored     ?   9  121.700  12  0.51  16  0.79  molprobity  1.000  
 52   52  OUTLIER  -125.0   167.8  Favored     ?  13  145.530   9  0.42  11  0.91  molprobity  1.000  
 53   53  t        -111.2   130.4  Favored     ?   9  136.680   7  0.47  10  0.66  molprobity  1.000  
 54   54  m120     -105.3   119.5  Favored     1   6  149.460   8  0.34  11  0.39  molprobity  1.000  
 55   55  t60       -90.8    59.8  Favored     ?   7  150.830  11  0.42  15  0.65  molprobity  1.000  
 56   56  ?             ?       ?  ?           ?   6  168.230   6  0.38   6  0.54  molprobity  1.000  
 57   57  ?             ?       ?  ?           ?   4  149.770   5  0.49   7  0.66  molprobity  1.000  
 58   58  m-80     -111.5    96.9  Favored     1   6  150.930   8  0.46  11  0.79  molprobity  1.000  
 59   59  m        -101.0   136.3  Favored     ?   9  134.570   7  0.47  11  0.75  molprobity  1.000  
 60   60  Cg_endo   -77.0   150.8  Favored     ?   7  129.100   8  0.31  11  0.55  molprobity  1.000  
 61   61  ?        -143.8   156.9  Favored     ?   5  123.020   5  0.41   7  0.54  molprobity  1.000  
 62   62  t80      -133.1   130.4  Favored     ?   9  116.000  12  0.52  16  0.46  molprobity  1.000  
 63   63  OUTLIER  -116.8   119.9  Favored     ?   9  111.290   7  0.33  10  0.78  molprobity  1.000  
 64   64  t         -76.5   142.0  Favored     ?   5  114.680   6  0.33   8  0.65  molprobity  1.000  
 65   65  ?         -89.5   157.8  Favored     ?   3  106.960   4  0.38   5  0.90  molprobity  1.000  
 66   66  tttm      -36.1   -62.8  Allowed     ?  13  129.700   9  0.38  11  0.95  molprobity  1.000  
 67   67  ?         -49.3   -37.0  Favored     ?   5  105.950   5  0.53   7  0.86  molprobity  1.000  
 68   68  tp        -73.3   -44.9  Favored     ?  11  107.190   8  0.57  11  0.62  molprobity  1.000  
 69   69  mttt      -63.2   -40.7  Favored     ?  13  123.880   9  0.36  11  0.58  molprobity  1.000  
 70   70  m-20      -69.8   -30.4  Favored     ?   4  125.950   8  0.50  11  0.65  molprobity  1.000  
 71   71  ?         -76.2   -22.9  Favored     ?   5  117.720   5  0.42   7  0.33  molprobity  1.000  
 72   72  m         -93.4   -27.0  Favored     ?   9  125.770   7  0.35  10  0.79  molprobity  1.000  
 73   73  ?             ?       ?  ?           ?   4  156.190   6  0.75   5  0.79  molprobity  1.000  
 74   74  ?             ?       ?  ?           ?  11  149.460  21  1.83  32  1.31  molprobity  1.000  
 75   75  ?             ?       ?  ?           ?  11  150.290  21  1.49  32  1.45  molprobity  1.000  
 76   76  ?             ?       ?  ?           ?  11  153.630  21  1.98  32  1.25  molprobity  1.000  
 77   77  ?             ?       ?  ?           ?  11  160.730  21  1.60  32  1.15  molprobity  1.000  
 78   78  ?             ?       ?  ?           ?  11  177.170  21  1.10  32  0.98  molprobity  1.000  
 79   79  ?             ?       ?  ?           ?  11  188.650  21  0.95  32  1.01  molprobity  1.000  
 80   80  ?             ?       ?  ?           ?  11  194.970  21  1.13  32  0.75  molprobity  1.000  
 81   81  ?             ?       ?  ?           ?  11  197.020  21  1.08  32  2.02  molprobity  1.000  
 82   82  ?             ?       ?  ?           ?  11  204.550  21  1.03  32  0.96  molprobity  1.000  
 83   83  ?             ?       ?  ?           ?  11  214.560  21  1.67  32  1.19  molprobity  1.000  
 84   84  ?             ?       ?  ?           ?  11  218.440  21  1.21  32  0.98  molprobity  1.000  
 85   85  ?             ?       ?  ?           ?  11  216.610  21  1.07  32  1.04  molprobity  1.000  
 86   86  ?             ?       ?  ?           ?  11  209.170  21  0.89  32  1.05  molprobity  1.000  
 87   87  ?             ?       ?  ?           ?  11  202.010  21  1.31  32  1.22  molprobity  1.000  
 88   88  ?             ?       ?  ?           ?  13  196.470  21  1.22  30  1.20  molprobity  1.000  
 89   89  ?             ?       ?  ?           ?  11  180.630  21  1.24  32  1.09  molprobity  1.000  
 90   90  ?             ?       ?  ?           ?  11  187.670  21  1.34  32  1.00  molprobity  1.000  
 91   91  ?             ?       ?  ?           ?  11  190.720  21  1.43  32  1.06  molprobity  1.000  
 92   92  ?             ?       ?  ?           ?  11  195.450  21  0.87  32  1.14  molprobity  1.000  
 93   93  ?             ?       ?  ?           ?  11  204.650  21  1.45  32  1.19  molprobity  1.000  
 94   94  ?             ?       ?  ?           ?  11  207.210  21  1.16  32  1.12  molprobity  1.000  
 95   95  ?             ?       ?  ?           ?  11  206.570  21  1.11  32  0.89  molprobity  1.000  
 96   96  ?             ?       ?  ?           ?  11  203.640  21  1.18  32  0.95  molprobity  1.000  
 97   97  ?             ?       ?  ?           ?  11  199.010  21  1.04  32  0.85  molprobity  1.000  
 98   98  ?             ?       ?  ?           ?  11  197.660  21  1.02  32  0.91  molprobity  1.000  
 99   99  ?             ?       ?  ?           ?  11  196.360  21  1.26  32  0.93  molprobity  1.000  
100  100  ?             ?       ?  ?           ?  11  186.620  21  1.31  32  0.94  molprobity  1.000  
101  101  ?             ?       ?  ?           ?  11  177.950  21  1.36  32  1.12  molprobity  1.000  
102  102  ?             ?       ?  ?           ?  11  167.890  21  1.24  32  0.99  molprobity  1.000  
103  103  ?             ?       ?  ?           ?  12  160.280  20  1.28  28  1.02  molprobity  1.000  
104  104  ?             ?       ?  ?           ?   7  129.290   5  0.86   7  0.61  molprobity  1.000  
105  105  ttm       -98.3   144.2  Favored     ?   9  132.550   8  0.86  10  0.84  molprobity  1.000  
106  106  OUTLIER  -117.7   173.8  Favored     1   6  137.090   8  0.50  11  0.94  molprobity  1.000  
107  107  ttmm      -48.7   -41.8  Favored     ?  13  137.320   9  0.63  11  1.08  molprobity  1.000  
108  108  OUTLIER   -69.3   -44.6  Favored     ?   7  122.450   7  0.49  10  0.91  molprobity  1.000  
109  109  mt-30     -60.4   -42.8  Favored     ?   8  124.410   9  0.55  12  0.46  molprobity  1.000  
110  110  tp        -63.2   -40.6  Favored     ?  11  113.020   8  0.56  11  0.90  molprobity  1.000  
111  111  mm        -57.0   -41.9  Favored     ?  11  120.100   8  0.60  11  0.80  molprobity  1.000  
112  112  m-20      -62.9   -44.8  Favored     ?   4  132.600   8  0.48  11  0.53  molprobity  1.000  
113  113  t         -65.6   -43.6  Favored     ?   9  123.360   7  0.40  10  0.49  molprobity  1.000  
114  114  mt        -60.9   -44.6  Favored     ?  11  130.680   8  0.54  11  0.66  molprobity  1.000  
115  115  ?         -59.2   -43.8  Favored     ?   5  139.830   5  0.44   7  0.55  molprobity  1.000  
116  116  mt-10     -66.6   -57.8  Favored     ?   6  157.400   9  0.27  12  0.53  molprobity  1.000  
117  117  mttt      -62.2   -45.7  Favored     ?  13  154.230   9  0.30  11  0.75  molprobity  1.000  
118  118  ?         -85.2    -1.6  Favored     ?   5  149.360   5  0.76   7  0.86  molprobity  1.000  
119  119  mt-10      54.9    34.5  Favored     ?   6  167.650   9  0.30  12  0.58  molprobity  1.000  
120  120  OUTLIER  -112.6   162.5  Favored     ?  11  154.970   8  0.47  11  0.95  molprobity  1.000  
121  121  p         -65.5   149.6  Favored     ?   5  153.160   6  0.28   8  0.34  molprobity  1.000  
122  122  mttt      -55.5   -27.3  Favored     ?  13  156.970   9  0.37  11  0.39  molprobity  1.000  
123  123  p         -72.2   -40.9  Favored     ?   7  155.840   7  0.37  10  0.57  molprobity  1.000  
124  124  mt-30     -71.6   -39.7  Favored     1   8  152.590   9  0.41  12  0.54  molprobity  1.000  
125  125  ?         -61.3   -45.2  Favored     ?   5  131.250   5  0.46   7  0.68  molprobity  1.000  
126  126  tttt      -59.7   -43.4  Favored     ?  13  131.090   9  0.29  11  0.56  molprobity  1.000  
127  127  ?         -65.4   -49.8  Favored     ?   5  120.260   5  0.27   7  0.45  molprobity  1.000  
128  128  ?         -54.9   -48.6  Favored     ?   5  113.460   5  0.54   7  0.56  molprobity  1.000  
129  129  tp        -66.0   -42.3  Favored     ?  11  105.580   8  0.40  11  0.56  molprobity  1.000  
130  130  mt-10     -64.4   -40.3  Favored     ?   6  119.720   9  0.42  12  1.03  molprobity  1.000  
131  131  m         -62.8   -41.5  Favored     ?   5  114.160   6  0.56   8  0.59  molprobity  1.000  
132  132  m         -60.6   -55.8  Favored     ?   7  109.170   7  0.45  10  0.54  molprobity  1.000  
133  133  mt        -60.0   -36.1  Favored     ?  11  103.670   8  0.56  11  0.64  molprobity  1.000  
134  134  ?         -68.7   -44.8  Favored     ?   5  107.310   5  0.36   7  0.48  molprobity  1.000  
135  135  ?         -67.5   -38.0  Favored     ?   5   99.190   5  0.37   7  0.38  molprobity  1.000  
136  136  mt        -64.6   -46.5  Favored     ?  11   98.630   8  0.40  11  0.70  molprobity  1.000  
137  137  m         -59.6   -52.5  Favored     ?   7  108.930   7  0.41  10  0.60  molprobity  1.000  
138  138  tp10      -56.0   -43.9  Favored     ?   6  127.170   9  0.47  12  0.77  molprobity  1.000  
139  139  t         -64.1   -43.2  Favored     ?   5  112.740   6  0.26   8  0.29  molprobity  1.000  
140  140  mt        -68.3   -31.5  Favored     ?  11  116.720   8  0.57  11  0.87  molprobity  1.000  
141  141  ttmt      -61.0   -45.0  Favored     ?  13  126.660   9  0.54  11  1.18  molprobity  1.000  
142  142  mt-10     -74.2     5.1  Favored     ?   6  140.010   9  0.50  12  0.56  molprobity  1.000  
143  143  ?          80.1   -20.5  Favored     ?   3  126.120   4  0.71   5  0.82  molprobity  1.000  
144  144  p-10      -80.4   120.8  Favored     ?   4  130.120   8  0.30  11  1.31  molprobity  1.000  
145  145  ?         -61.4   151.3  Favored     ?   5  116.020   5  0.33   7  0.61  molprobity  1.000  
146  146  t        -111.5   113.6  Favored     ?   9  114.300   7  0.46  10  0.68  molprobity  1.000  
147  147  OUTLIER  -102.8   109.3  Favored     1   8  128.220   9  0.37  12  0.78  molprobity  1.000  
148  148  mt       -110.1    94.0  Favored     ?  11  115.250   8  0.44  11  0.91  molprobity  1.000  
149  149  t         -59.7   125.1  Favored     ?   9  118.060   7  0.30  10  0.75  molprobity  1.000  
150  150  ?         108.3   -51.8  Allowed     ?   3  112.430   4  0.20   5  0.84  molprobity  1.000  
151  151  t80       -84.5   -80.5  Allowed     ?   9  110.700  12  0.31  16  0.49  molprobity  1.000  
152  152  ?        -179.1  -167.3  Favored     ?   3  107.610   4  0.33   5  0.28  molprobity  1.000  
153  153  m        -122.7   130.4  Favored     ?   7  110.450   7  0.31  10  0.75  molprobity  1.000  
154  154  m-85      -97.6   112.5  Favored     ?   9  107.850  12  0.24  16  0.83  molprobity  1.000  
155  155  OUTLIER  -125.9   167.1  Favored     ?  13  131.670   9  0.42  11  0.96  molprobity  1.000  
156  156  t        -109.0   129.5  Favored     ?   9  131.300   7  0.44  10  0.57  molprobity  1.000  
157  157  m120     -106.3   117.9  Favored     1   6  152.010   8  0.27  11  0.32  molprobity  1.000  
158  158  t60           ?       ?  ?           ?   7  172.820  10  0.44  12  0.68  molprobity  1.000  
159  159  ?             ?       ?  ?           ?   4  168.540   5  0.70   7  0.81  molprobity  1.000  
160  160  ?        -177.1   156.2  Allowed     ?   5  166.030   5  0.99   7  0.58  molprobity  1.000  
161  161  m-80     -110.3    93.6  Favored     1   6  153.460   8  0.46  11  0.61  molprobity  1.000  
162  162  m         -98.9   134.7  Favored     ?   9  143.000   7  0.51  11  0.68  molprobity  1.000  
163  163  Cg_endo   -75.3   146.3  Favored     ?   7  130.310   8  0.34  11  0.57  molprobity  1.000  
164  164  ?        -140.7   155.9  Favored     ?   5  121.170   5  0.29   7  0.52  molprobity  1.000  
165  165  t80      -130.4   127.5  Favored     ?   9  120.760  12  0.41  16  0.46  molprobity  1.000  
166  166  OUTLIER  -112.7   118.8  Favored     ?   9  120.660   7  0.36  10  0.81  molprobity  1.000  
167  167  t         -77.7   140.8  Favored     ?   5  127.300   6  0.30   8  0.61  molprobity  1.000  
168  168  ?         -79.8   174.0  Favored     ?   3  121.810   4  0.38   5  0.89  molprobity  1.000  
169  169  tttm      -55.4   -53.1  Favored     ?  13  126.080   9  0.43  11  0.51  molprobity  1.000  
170  170  ?         -54.0   -50.4  Favored     ?   5  108.550   5  0.57   7  0.97  molprobity  1.000  
171  171  tp        -60.8   -41.7  Favored     ?  11  107.000   8  0.76  11  0.65  molprobity  1.000  
172  172  mttt      -60.1   -42.8  Favored     ?  13  110.490   9  0.39  11  0.57  molprobity  1.000  
173  173  m-20      -68.1   -28.6  Favored     ?   4  122.690   8  0.41  11  0.56  molprobity  1.000  
174  174  ?         -80.2   -27.1  Favored     ?   5  126.120   5  0.40   7  0.23  molprobity  1.000  
175  175  m         -88.5   -28.6  Favored     ?   9  135.060   7  0.54  10  0.81  molprobity  1.000  
176  176  ?             ?       ?  ?           ?   4  160.830   6  0.77   5  0.90  molprobity  1.000  
#
loop_
_pdbx_vrpt_instance_clashes.ordinal
_pdbx_vrpt_instance_clashes.instance_id
_pdbx_vrpt_instance_clashes.label_atom_id
_pdbx_vrpt_instance_clashes.cid
_pdbx_vrpt_instance_clashes.clashmag
_pdbx_vrpt_instance_clashes.dist
 1    1  HA     1  0.40  2.21  
 2    3  ND2    2  0.54  2.04  
 3    3  HD22   3  0.41  1.69  
 4    3  HD22   4  0.40  2.25  
 5    3  C      4  0.40  2.25  
 6    4  O      5  0.49  2.13  
 7    6  H      2  0.54  2.04  
 8    6  H      3  0.41  1.69  
 9    7  HD23   6  0.53  1.89  
10    8  HD12   7  0.86  1.55  
11    8  HD12   8  0.43  2.38  
12    8  CD1    9  0.63  2.28  
13    8  HG12   5  0.49  2.13  
14   14  HB2   10  0.45  1.97  
15   18  H     11  0.44  1.64  
16   21  HE21  11  0.44  1.64  
17   21  HG2   12  0.44  2.00  
18   23  HA     7  0.86  1.55  
19   23  HA     9  0.63  2.28  
20   23  CA     8  0.43  2.38  
21   37  HD12  13  0.48  1.96  
22   38  HE3   14  0.40  2.04  
23   44  HE21  15  0.43  1.69  
24   44  HB2   15  0.43  1.69  
25   68  HD12  16  0.41  2.02  
26   74  H42   17  0.71  1.38  
27   74  N4    18  0.41  2.11  
28   75  H42   19  0.64  1.46  
29   76  H42   20  0.69  1.39  
30   76  N4    21  0.49  2.09  
31   77  H42   22  0.55  1.54  
32   79  H42   23  0.48  1.61  
33   84  H42   24  0.80  1.28  
34   84  N4    25  0.56  2.01  
35   85  H42   26  0.54  1.55  
36   85  N4    27  0.53  2.07  
37   86  H42   28  0.59  1.51  
38   86  N4    29  0.50  2.09  
39   87  N4    30  0.53  2.07  
40   87  H42   31  0.47  1.61  
41   89  H42   30  0.53  2.07  
42   89  H42   31  0.47  1.61  
43   90  H42   28  0.59  1.51  
44   90  H42   29  0.50  2.09  
45   91  H42   26  0.54  1.55  
46   91  H42   27  0.53  2.07  
47   92  H42   24  0.80  1.28  
48   92  H42   25  0.56  2.01  
49   97  H42   23  0.48  1.61  
50   99  H42   22  0.55  1.54  
51  100  H42   20  0.69  1.39  
52  100  H42   21  0.49  2.09  
53  101  H42   19  0.64  1.46  
54  102  H42   17  0.71  1.38  
55  102  H42   18  0.41  2.11  
56  106  ND2   32  0.55  2.05  
57  106  C     33  0.43  2.21  
58  106  HD22  33  0.43  2.21  
59  107  O     34  0.51  2.11  
60  109  H     32  0.55  2.05  
61  111  HD12  35  0.92  1.51  
62  111  HD12  36  0.44  2.36  
63  111  CD1   37  0.60  2.28  
64  111  HG12  34  0.51  2.11  
65  120  HD11  12  0.44  2.00  
66  121  H     38  0.45  1.65  
67  124  HE21  38  0.45  1.65  
68  126  HA    35  0.92  1.51  
69  126  HA    37  0.60  2.28  
70  126  CA    36  0.44  2.36  
71  131  HB3   10  0.45  1.97  
72  137  HG23  16  0.41  2.02  
73  145  O      1  0.40  2.21  
74  148  HD21   6  0.53  1.89  
75  171  HD11  13  0.48  1.96  
76  174  HB1   14  0.40  2.04  
#
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  74  "C1'"  N1  1.573  1.488  0.013  6.57  
2  76  "C1'"  N1  1.568  1.488  0.013  6.12  
3  77  "C1'"  N1  1.555  1.488  0.013  5.13  
4  83  "C1'"  N1  1.555  1.488  0.013  5.18  
#
loop_
_pdbx_vrpt_instance_intra_angle_outliers.ordinal
_pdbx_vrpt_instance_intra_angle_outliers.instance_id
_pdbx_vrpt_instance_intra_angle_outliers.atom_1
_pdbx_vrpt_instance_intra_angle_outliers.atom_2
_pdbx_vrpt_instance_intra_angle_outliers.atom_3
_pdbx_vrpt_instance_intra_angle_outliers.obs
_pdbx_vrpt_instance_intra_angle_outliers.mean
_pdbx_vrpt_instance_intra_angle_outliers.stdev
_pdbx_vrpt_instance_intra_angle_outliers.Z
1  81  "C1'"  "O4'"  "C4'"  104.836  110.100  1.000  -5.26  
2  81  "O4'"  "C1'"  N1     113.340  108.000  0.700   7.63  
#
loop_
_pdbx_vrpt_model_instance_density.ordinal
_pdbx_vrpt_model_instance_density.instance_id
_pdbx_vrpt_model_instance_density.natoms_eds
_pdbx_vrpt_model_instance_density.RSRCC
_pdbx_vrpt_model_instance_density.RSR
_pdbx_vrpt_model_instance_density.RSRZ
  1    1   5  0.805  0.158  -0.550  
  2    2   8  0.853  0.335   0.936  
  3    3   8  0.958  0.139  -0.795  
  4    4   9  0.915  0.452   1.293  
  5    5   7  0.974  0.196  -0.189  
  6    6   9  0.944  0.123  -1.143  
  7    7   8  0.989  0.387   1.045  
  8    8   8  0.981  0.360   0.887  
  9    9   8  0.947  0.206  -0.110  
 10   10   7  0.958  0.251   0.001  
 11   11   8  0.986  0.443   1.637  
 12   12   5  0.974  0.211  -0.057  
 13   13   5  0.961  0.117  -1.222  
 14   14   9  0.824  0.399   0.879  
 15   15   5  0.974  0.176  -0.382  
 16   16   9  0.948  0.203  -0.468  
 17   17   8  0.927  0.238  -0.261  
 18   18   6  0.941  0.110  -0.981  
 19   19   9  0.866  0.345   0.458  
 20   20   7  0.971  0.172  -0.442  
 21   21   9  0.903  0.152  -0.865  
 22   22   5  0.970  0.270   0.492  
 23   23   9  0.935  0.247  -0.307  
 24   24   5  0.982  0.153  -0.596  
 25   25   5  0.983  0.266   0.455  
 26   26   8  0.983  0.450   1.597  
 27   27   9  0.951  0.159  -0.854  
 28   28   6  0.947  0.200  -0.037  
 29   29   7  0.975  0.299   0.897  
 30   30   8  0.948  0.267  -0.007  
 31   31   5  0.948  0.148  -0.643  
 32   32   5  0.961  0.221   0.036  
 33   33   8  0.988  0.504   2.189  
 34   34   7  0.972  0.176  -0.399  
 35   35   9  0.936  0.222  -0.301  
 36   36   6  0.872  0.221   0.184  
 37   37   8  0.978  0.312   0.387  
 38   38   9  0.952  0.302   0.122  
 39   39   9  0.892  0.264   0.067  
 40   40   4  0.914  0.171  -0.282  
 41   41   8  0.766  0.292   0.775  
 42   42   5  0.904  0.227   0.092  
 43   43   7  0.969  0.310   0.528  
 44   44   9  0.957  0.203  -0.376  
 45   45   8  0.937  0.409   1.238  
 46   46   7  0.957  0.219  -0.285  
 47   47   4  0.932  0.101  -0.910  
 48   48  11  0.952  0.360   0.840  
 49   49   4  0.913  0.119  -0.749  
 50   50   7  0.963  0.151  -0.663  
 51   51  11  0.964  0.321   0.499  
 52   52   9  0.957  0.334   0.372  
 53   53   7  0.952  0.303   0.465  
 54   54   8  0.819  0.269   0.578  
 55   55  10  0.903  0.347   1.219  
 56   56   7  0.772  0.621   2.751  
 57   57   5  0.763  0.512   2.743  
 58   58   8  0.910  0.256   0.440  
 59   59   7  0.943  0.305   0.483  
 60   60   7  0.904  0.241   0.234  
 61   61   5  0.934  0.168  -0.457  
 62   62  11  0.888  0.275   0.096  
 63   63   7  0.953  0.265   0.126  
 64   64   6  0.871  0.218   0.152  
 65   65   4  0.938  0.134  -0.614  
 66   66   9  0.944  0.257  -0.229  
 67   67   5  0.981  0.150  -0.624  
 68   68   8  0.975  0.358   0.791  
 69   69   9  0.964  0.167  -0.931  
 70   70   8  0.938  0.171  -0.470  
 71   71   5  0.927  0.214  -0.029  
 72   72   7  0.943  0.237  -0.124  
 73   73   7  0.912  0.348   0.481  
 74   74  19  0.936  0.111  -1.061  
 75   75  19  0.918  0.122  -0.934  
 76   76  19  0.910  0.132  -0.818  
 77   77  19  0.913  0.111  -1.061  
 78   78  19  0.812  0.179  -0.273  
 79   79  19  0.869  0.119  -0.969  
 80   80  19  0.877  0.136  -0.772  
 81   81  19  0.935  0.106  -1.119  
 82   82  19  0.893  0.157  -0.528  
 83   83  19  0.793  0.156  -0.540  
 84   84  19  0.909  0.110  -1.073  
 85   85  19  0.910  0.092  -1.282  
 86   86  19  0.898  0.130  -0.841  
 87   87  19  0.906  0.145  -0.667  
 88   88  20  0.940  0.138  -0.801  
 89   89  19  0.924  0.142  -0.702  
 90   90  19  0.924  0.124  -0.911  
 91   91  19  0.906  0.115  -1.015  
 92   92  19  0.907  0.135  -0.783  
 93   93  19  0.842  0.148  -0.633  
 94   94  19  0.761  0.159  -0.505  
 95   95  19  0.876  0.137  -0.760  
 96   96  19  0.912  0.137  -0.760  
 97   97  19  0.919  0.139  -0.737  
 98   98  19  0.895  0.099  -1.200  
 99   99  19  0.848  0.229   0.306  
100  100  19  0.859  0.203   0.005  
101  101  19  0.896  0.155  -0.552  
102  102  19  0.946  0.130  -0.841  
103  103  19  0.939  0.112  -1.050  
104  104   5  0.569  0.218   0.008  
105  105   8  0.846  0.546   2.895  
106  106   8  0.935  0.200  -0.151  
107  107   9  0.853  0.433   1.144  
108  108   7  0.950  0.139  -0.789  
109  109   9  0.959  0.133  -1.047  
110  110   8  0.988  0.496   2.000  
111  111   8  0.967  0.383   1.095  
112  112   8  0.934  0.231   0.147  
113  113   7  0.968  0.323   0.644  
114  114   8  0.981  0.397   1.222  
115  115   5  0.914  0.176  -0.382  
116  116   9  0.925  0.234  -0.196  
117  117   9  0.887  0.364   0.606  
118  118   5  0.934  0.203  -0.131  
119  119   9  0.954  0.181  -0.661  
120  120   8  0.911  0.282   0.124  
121  121   6  0.946  0.074  -1.359  
122  122   9  0.966  0.357   0.551  
123  123   7  0.963  0.206  -0.083  
124  124   9  0.919  0.278   0.343  
125  125   5  0.962  0.256   0.362  
126  126   9  0.900  0.245  -0.322  
127  127   5  0.956  0.123  -0.875  
128  128   5  0.988  0.279   0.576  
129  129   8  0.979  0.412   1.264  
130  130   9  0.948  0.230  -0.231  
131  131   6  0.964  0.299   1.002  
132  132   7  0.982  0.359   1.529  
133  133   8  0.962  0.332   0.563  
134  134   5  0.980  0.173  -0.410  
135  135   5  0.961  0.281   0.594  
136  136   8  0.983  0.377   1.041  
137  137   7  0.963  0.217   0.033  
138  138   9  0.876  0.317   0.531  
139  139   6  0.971  0.144  -0.624  
140  140   8  0.979  0.403   1.185  
141  141   9  0.926  0.390   0.809  
142  142   9  0.815  0.245  -0.100  
143  143   4  0.931  0.117  -0.767  
144  144   8  0.922  0.111  -1.087  
145  145   5  0.951  0.128  -0.829  
146  146   7  0.985  0.280   0.260  
147  147   9  0.953  0.220  -0.213  
148  148   8  0.960  0.457   1.658  
149  149   7  0.954  0.296   0.403  
150  150   4  0.965  0.119  -0.749  
151  151  11  0.842  0.486   1.945  
152  152   4  0.912  0.147  -0.497  
153  153   7  0.946  0.147  -0.705  
154  154  11  0.965  0.333   0.604  
155  155   9  0.901  0.286  -0.002  
156  156   7  0.923  0.282   0.278  
157  157   8  0.885  0.205  -0.098  
158  158  10  0.876  0.192  -0.332  
159  159   5  0.758  0.245   0.260  
160  160   5  0.530  0.243   0.241  
161  161   8  0.829  0.185  -0.309  
162  162   7  0.939  0.248  -0.026  
163  163   7  0.929  0.271   0.532  
164  164   5  0.941  0.381   1.525  
165  165  11  0.783  0.309   0.394  
166  166   7  0.932  0.241  -0.088  
167  167   6  0.835  0.209   0.058  
168  168   4  0.908  0.089  -1.018  
169  169   9  0.892  0.150  -1.063  
170  170   5  0.963  0.158  -0.550  
171  171   8  0.957  0.402   1.176  
172  172   9  0.924  0.149  -1.071  
173  173   8  0.967  0.147  -0.717  
174  174   5  0.954  0.226   0.083  
175  175   7  0.961  0.280   0.260  
176  176   7  0.901  0.252  -0.268  
#
loop_
_pdbx_vrpt_software.ordinal
_pdbx_vrpt_software.name
_pdbx_vrpt_software.version
_pdbx_vrpt_software.success_y_or_n
1  molprobity   4.02b-467                                                             Y  
2  eds          2.35.1                                                                Y  
3  dcc          '"2.27  (2023-04-10)"'                                                Y  
4  xtriage      1.13                                                                  Y  
5  percentiles  "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
