data_3S4R

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  3S4R
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    3S4R
_pdbx_vrpt_summary.PDB_deposition_date         2011-05-20
_pdbx_vrpt_summary.PDB_revision_number         3
_pdbx_vrpt_summary.PDB_revision_date           2024-02-28
_pdbx_vrpt_summary.report_creation_date        2024-02-17:13:36
_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      Vimentin  
2  non-polymer  GLYCEROL  
3  water        water     
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  1  
C  2  
D  2  
E  3  
F  3  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all    x-ray  
2  2.452  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   24.75  141614     ?     ?  
 2  2  1   26.60    1613  2.44  2.48  
 3  1  2   24.89  138981     ?     ?  
 4  2  2   28.54    1598  2.44  2.48  
 5  1  3  100.00  138945     ?     ?  
 6  2  3  100.00    1598  2.44  2.48  
 7  1  4   61.66  127900     ?     ?  
 8  2  4   57.65    1523  2.44  2.48  
 9  1  5    1.44  130704     ?     ?  
10  2  5    0.60    1544  2.44  2.48  
#
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   12.81  
 2  4  2  A  1  1  A   12.33  
 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   60.13  
 6  8  4  A  1  1  A   56.07  
 7  3  2  B  1  1  B  100.00  
 8  4  2  B  1  1  B  100.00  
 9  5  3  B  1  1  B  100.00  
10  6  3  B  1  1  B  100.00  
11  7  4  B  1  1  B   61.66  
12  8  4  B  1  1  B   57.65  
#
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  0.62  0.50  742   988  
2  1  1  B  B  0.66  0.54  767  1022  
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  0.57
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       0.00
_pdbx_vrpt_summary_geometry.clashscore                     10.76
_pdbx_vrpt_summary_geometry.num_H_reduce                   1549
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 1509
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.52
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                2010
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.64
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.Babinet_b                 103.825
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            50.842
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         46.458
_pdbx_vrpt_summary_diffraction.I_over_sigma              6.95(2.45A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        11151
_pdbx_vrpt_summary_diffraction.Babinet_k                 0.047
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.313
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.521
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.365
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.933
_pdbx_vrpt_summary_diffraction.DCC_R                     0.30
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.33
_pdbx_vrpt_summary_diffraction.EDS_R                     0.29
_pdbx_vrpt_summary_diffraction.EDS_res_high              2.45
_pdbx_vrpt_summary_diffraction.EDS_res_low               48.52
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[79.295,79.295,23.870,0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.911
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 7.07% 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         9
_pdbx_vrpt_summary_diffraction.centric_outliers          2
_pdbx_vrpt_summary_diffraction.data_completeness         92.93
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      537
_pdbx_vrpt_summary_diffraction.percent_free_reflections  4.82
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     2.23
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       2.45
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        48.52
_pdbx_vrpt_summary_diffraction.PDB_R                     0.29
_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_torsion_outliers
  1  1  1  A   6  ASN  A  102  .  ?        ?     ?  
  2  1  1  A   7  GLU  A  103  .  ?        ?     ?  
  3  1  1  A   8  LYS  A  104  .  ?        ?     ?  
  4  1  1  A   9  VAL  A  105  .  ?        1     ?  
  5  1  1  A  10  GLU  A  106  .  ?        1     ?  
  6  1  1  A  11  LEU  A  107  .  ?        ?     ?  
  7  1  1  A  12  GLN  A  108  .  ?        ?     ?  
  8  1  1  A  13  GLU  A  109  .  ?        1     ?  
  9  1  1  A  14  LEU  A  110  .  ?        ?     ?  
 10  1  1  A  15  ASN  A  111  .  ?        ?     ?  
 11  1  1  A  16  ASP  A  112  .  ?        1     ?  
 12  1  1  A  17  ARG  A  113  .  ?        ?     ?  
 13  1  1  A  18  PHE  A  114  .  ?        ?     ?  
 14  1  1  A  19  ALA  A  115  .  ?        ?     ?  
 15  1  1  A  20  ASN  A  116  .  ?        1     ?  
 16  1  1  A  21  LEU  A  117  .  ?        ?     ?  
 17  1  1  A  22  ILE  A  118  .  ?        ?     ?  
 18  1  1  A  23  ASP  A  119  .  ?        1     ?  
 19  1  1  A  24  LYS  A  120  .  ?        ?     ?  
 20  1  1  A  25  VAL  A  121  .  ?        ?     ?  
 21  1  1  A  26  ARG  A  122  .  ?        ?     ?  
 22  1  1  A  27  PHE  A  123  .  ?        ?     ?  
 23  1  1  A  28  LEU  A  124  .  ?        ?     ?  
 24  1  1  A  29  GLU  A  125  .  ?        ?     ?  
 25  1  1  A  30  GLN  A  126  .  ?        ?     ?  
 26  1  1  A  31  GLN  A  127  .  ?        2     ?  
 27  1  1  A  32  ASN  A  128  .  ?        3     ?  
 28  1  1  A  33  LYS  A  129  .  ?        ?     ?  
 29  1  1  A  34  ILE  A  130  .  ?        ?     ?  
 30  1  1  A  35  LEU  A  131  .  ?        ?     ?  
 31  1  1  A  36  LEU  A  132  .  ?        ?     ?  
 32  1  1  A  37  ALA  A  133  .  ?        ?     ?  
 33  1  1  A  38  GLU  A  134  .  ?        ?     ?  
 34  1  1  A  39  LEU  A  135  .  ?        ?     ?  
 35  1  1  A  40  GLU  A  136  .  ?        ?     ?  
 36  1  1  A  41  GLN  A  137  .  ?        ?     ?  
 37  1  1  A  42  LEU  A  138  .  ?        ?     ?  
 38  1  1  A  43  LYS  A  139  .  ?        ?     ?  
 39  1  1  A  44  GLY  A  140  .  ?        ?     ?  
 40  1  1  A  45  GLN  A  141  .  ?        ?     ?  
 41  1  1  A  46  GLY  A  142  .  ?        ?     ?  
 42  1  1  A  47  LYS  A  143  .  ?        ?     ?  
 43  1  1  A  48  SER  A  144  .  ?        ?     ?  
 44  1  1  A  49  ARG  A  145  .  ?        ?     ?  
 45  1  1  A  50  LEU  A  146  .  ?        ?     ?  
 46  1  1  A  51  GLY  A  147  .  ?        1     ?  
 47  1  1  A  52  ASP  A  148  .  ?        ?     ?  
 48  1  1  A  53  LEU  A  149  .  ?        ?     ?  
 49  1  1  A  54  TYR  A  150  .  ?        ?     ?  
 50  1  1  A  55  GLU  A  151  .  ?        1     ?  
 51  1  1  A  56  GLU  A  152  .  ?        ?     ?  
 52  1  1  A  57  GLU  A  153  .  ?        1     ?  
 53  1  1  A  58  MET  A  154  .  ?        ?     ?  
 54  1  1  A  59  ARG  A  155  .  ?        4     ?  
 55  1  1  A  60  GLU  A  156  .  ?        ?     ?  
 56  1  1  A  61  LEU  A  157  .  ?        ?     ?  
 57  1  1  A  62  ARG  A  158  .  ?        ?     ?  
 58  1  1  A  63  ARG  A  159  .  ?        ?     ?  
 59  1  1  A  64  GLN  A  160  .  ?        ?     ?  
 60  1  1  A  65  VAL  A  161  .  ?        ?     ?  
 61  1  1  A  66  ASP  A  162  .  ?        ?     ?  
 62  1  1  A  67  GLN  A  163  .  ?        ?     ?  
 63  1  1  A  68  LEU  A  164  .  ?        ?     ?  
 64  1  1  A  69  THR  A  165  .  ?        ?     ?  
 65  1  1  A  70  ASN  A  166  .  ?        ?     ?  
 66  1  1  A  71  ASP  A  167  .  ?        ?     ?  
 67  1  1  A  72  LYS  A  168  .  ?        1     ?  
 68  1  1  A  73  ALA  A  169  .  ?        ?     ?  
 69  1  1  A  74  ARG  A  170  .  ?        ?     ?  
 70  1  1  A  75  VAL  A  171  .  ?        4     ?  
 71  1  1  A  76  GLU  A  172  .  ?        ?     ?  
 72  1  1  A  77  VAL  A  173  .  ?        ?     ?  
 73  1  1  A  78  GLU  A  174  .  ?        ?     ?  
 74  1  1  A  79  ARG  A  175  .  ?        ?     ?  
 75  1  1  A  80  ASP  A  176  .  ?        ?     ?  
 76  1  1  A  81  ASN  A  177  .  ?        ?     ?  
 77  1  1  A  82  LEU  A  178  .  ?        ?     ?  
 78  1  1  A  83  ALA  A  179  .  ?        ?     ?  
 79  1  1  A  84  GLU  A  180  .  ?        ?     ?  
 80  1  1  A  85  ASP  A  181  .  ?        ?     ?  
 81  1  1  A  86  ILE  A  182  .  ?        3     ?  
 82  1  1  A  87  MET  A  183  .  ?        ?     ?  
 83  1  1  A  88  ARG  A  184  .  ?        1     ?  
 84  1  1  A  89  LEU  A  185  .  ?        ?     ?  
 85  1  1  A  90  ARG  A  186  .  ?        ?     ?  
 86  1  1  A  91  GLU  A  187  .  ?        1     ?  
 87  1  1  A  92  LYS  A  188  .  ?        ?     ?  
 88  1  1  A  93  LEU  A  189  .  ?        ?     ?  
 89  1  1  B   3  THR  B   99  .  ?        ?     ?  
 90  1  1  B   4  ARG  B  100  .  ?        ?     ?  
 91  1  1  B   5  THR  B  101  .  ?        ?     ?  
 92  1  1  B   6  ASN  B  102  .  ?        ?     ?  
 93  1  1  B   7  GLU  B  103  .  ?        ?     ?  
 94  1  1  B   8  LYS  B  104  .  ?        ?     ?  
 95  1  1  B   9  VAL  B  105  .  ?        1     ?  
 96  1  1  B  10  GLU  B  106  .  ?        1     ?  
 97  1  1  B  11  LEU  B  107  .  ?        ?     ?  
 98  1  1  B  12  GLN  B  108  .  ?        ?     ?  
 99  1  1  B  13  GLU  B  109  .  ?        ?     ?  
100  1  1  B  14  LEU  B  110  .  ?        ?     ?  
101  1  1  B  15  ASN  B  111  .  ?        ?     ?  
102  1  1  B  16  ASP  B  112  .  ?        ?     ?  
103  1  1  B  17  ARG  B  113  .  ?        ?     ?  
104  1  1  B  18  PHE  B  114  .  ?        ?     ?  
105  1  1  B  19  ALA  B  115  .  ?        ?     ?  
106  1  1  B  20  ASN  B  116  .  ?        ?     ?  
107  1  1  B  21  LEU  B  117  .  ?        ?     ?  
108  1  1  B  22  ILE  B  118  .  ?        ?     ?  
109  1  1  B  23  ASP  B  119  .  ?        ?     ?  
110  1  1  B  24  LYS  B  120  .  ?        ?     ?  
111  1  1  B  25  VAL  B  121  .  ?        ?     ?  
112  1  1  B  26  ARG  B  122  .  ?        ?     ?  
113  1  1  B  27  PHE  B  123  .  ?        ?     ?  
114  1  1  B  28  LEU  B  124  .  ?        ?     ?  
115  1  1  B  29  GLU  B  125  .  ?        ?     ?  
116  1  1  B  30  GLN  B  126  .  ?        ?     ?  
117  1  1  B  31  GLN  B  127  .  ?        ?     ?  
118  1  1  B  32  ASN  B  128  .  ?        ?     ?  
119  1  1  B  33  LYS  B  129  .  ?        2     ?  
120  1  1  B  34  ILE  B  130  .  ?        ?     ?  
121  1  1  B  35  LEU  B  131  .  ?        ?     ?  
122  1  1  B  36  LEU  B  132  .  ?        1     ?  
123  1  1  B  37  ALA  B  133  .  ?        ?     ?  
124  1  1  B  38  GLU  B  134  .  ?        ?     ?  
125  1  1  B  39  LEU  B  135  .  ?        ?     ?  
126  1  1  B  40  GLU  B  136  .  ?        1     ?  
127  1  1  B  41  GLN  B  137  .  ?        ?     ?  
128  1  1  B  42  LEU  B  138  .  ?        ?     ?  
129  1  1  B  43  LYS  B  139  .  ?        ?     ?  
130  1  1  B  44  GLY  B  140  .  ?        ?     ?  
131  1  1  B  45  GLN  B  141  .  ?        ?     ?  
132  1  1  B  46  GLY  B  142  .  ?        ?     ?  
133  1  1  B  47  LYS  B  143  .  ?        ?     ?  
134  1  1  B  48  SER  B  144  .  ?        ?     ?  
135  1  1  B  49  ARG  B  145  .  ?        2     ?  
136  1  1  B  50  LEU  B  146  .  ?        2     ?  
137  1  1  B  51  GLY  B  147  .  ?        ?     ?  
138  1  1  B  52  ASP  B  148  .  ?        2     ?  
139  1  1  B  53  LEU  B  149  .  ?        ?     ?  
140  1  1  B  54  TYR  B  150  .  ?        2     ?  
141  1  1  B  55  GLU  B  151  .  ?        ?     ?  
142  1  1  B  56  GLU  B  152  .  ?        ?     ?  
143  1  1  B  57  GLU  B  153  .  ?        ?     ?  
144  1  1  B  58  MET  B  154  .  ?        1     ?  
145  1  1  B  59  ARG  B  155  .  ?        ?     ?  
146  1  1  B  60  GLU  B  156  .  ?        ?     ?  
147  1  1  B  61  LEU  B  157  .  ?        ?     ?  
148  1  1  B  62  ARG  B  158  .  ?        2     ?  
149  1  1  B  63  ARG  B  159  .  ?        ?     ?  
150  1  1  B  64  GLN  B  160  .  ?        ?     ?  
151  1  1  B  65  VAL  B  161  .  ?        ?     ?  
152  1  1  B  66  ASP  B  162  .  ?        ?     ?  
153  1  1  B  67  GLN  B  163  .  ?        ?     ?  
154  1  1  B  68  LEU  B  164  .  ?        ?     ?  
155  1  1  B  69  THR  B  165  .  ?        ?     ?  
156  1  1  B  70  ASN  B  166  .  ?        ?     ?  
157  1  1  B  71  ASP  B  167  .  ?        1     ?  
158  1  1  B  72  LYS  B  168  .  ?        ?     ?  
159  1  1  B  73  ALA  B  169  .  ?        ?     ?  
160  1  1  B  74  ARG  B  170  .  ?        1     ?  
161  1  1  B  75  VAL  B  171  .  ?        1     ?  
162  1  1  B  76  GLU  B  172  .  ?        2     ?  
163  1  1  B  77  VAL  B  173  .  ?        ?     ?  
164  1  1  B  78  GLU  B  174  .  ?        ?     ?  
165  1  1  B  79  ARG  B  175  .  ?        1     ?  
166  1  1  B  80  ASP  B  176  .  ?        1     ?  
167  1  1  B  81  ASN  B  177  .  ?        1     ?  
168  1  1  B  82  LEU  B  178  .  ?        ?     ?  
169  1  1  B  83  ALA  B  179  .  ?        ?     ?  
170  1  1  B  84  GLU  B  180  .  ?        1     ?  
171  1  1  B  85  ASP  B  181  .  ?        1     ?  
172  1  1  B  86  ILE  B  182  .  ?        5     ?  
173  1  1  B  87  MET  B  183  .  ?        1     ?  
174  1  1  B  88  ARG  B  184  .  ?        ?     ?  
175  1  1  B  89  LEU  B  185  .  ?        ?     ?  
176  1  1  B  90  ARG  B  186  .  ?        2     ?  
177  1  1  B  91  GLU  B  187  .  ?        ?     ?  
178  1  1  B  92  LYS  B  188  .  ?        ?     ?  
179  1  1  B  93  LEU  B  189  .  ?        ?     ?  
180  1  2  C   .  GOL  A  202  .  ?        3     2  
181  1  2  D   .  GOL  B  201  .  ?        ?     2  
182  1  3  E   .  HOH  A  206  .  ?        ?     ?  
183  1  3  F   .  HOH  B  203  .  ?        ?     ?  
184  1  3  F   .  HOH  B  204  .  ?        ?     ?  
185  1  3  F   .  HOH  B  205  .  ?        ?     ?  
#
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.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  p-10          ?      ?  ?           5  125.090     8  0.39    11  0.56  molprobity  0.990  
  2    2  mt-10     -81.8  138.4  Favored     6  133.950     9  0.37    12  0.49  molprobity  1.000  
  3    3  mttt      -98.1  153.0  Favored    13  110.590     9  0.41    11  0.29  molprobity  1.000  
  4    4  t        -114.8  149.2  Favored     9   96.400     7  0.35    10  0.31  molprobity  1.000  
  5    5  tp10      -77.1  150.3  Favored     6   97.290     9  0.44    12  0.59  molprobity  1.000  
  6    6  mt        -59.0  -49.5  Favored    11   80.010     8  0.36    11  0.65  molprobity  1.000  
  7    7  tp60      -61.9  -16.3  Favored     8   82.900     9  0.90    12  0.80  molprobity  1.000  
  8    8  tp10      -83.8  -44.8  Favored     6   92.610     9  0.46    12  0.43  molprobity  1.000  
  9    9  mt        -57.3  -39.0  Favored    11   73.140     8  0.20    11  0.27  molprobity  1.000  
 10   10  m-20      -62.6  -37.6  Favored     6   77.700     8  0.28    11  0.57  molprobity  1.000  
 11   11  m-20      -57.9  -58.5  Favored     4   82.900     8  0.37    11  0.45  molprobity  1.000  
 12   12  mtt180    -55.8  -40.8  Favored    13   80.880    11  0.59    14  0.78  molprobity  1.000  
 13   13  m-85      -78.2  -18.6  Favored     9   70.760    12  0.58    16  0.38  molprobity  1.000  
 14   14  ?         -78.0  -31.9  Favored     5   74.490     5  0.33     7  0.91  molprobity  1.000  
 15   15  t30       -81.2  -39.6  Favored     6   83.230     8  0.57    11  0.47  molprobity  1.000  
 16   16  tp        -61.6  -38.5  Favored    11   69.410     8  0.61    11  0.60  molprobity  1.000  
 17   17  mt        -59.8  -37.1  Favored    11   70.520     8  0.70    11  0.68  molprobity  1.000  
 18   18  m-20      -58.8  -59.1  Favored     4   80.630     8  0.58    11  0.88  molprobity  1.000  
 19   19  mtpt      -53.0  -38.5  Favored    13   76.380     9  0.46    11  0.54  molprobity  1.000  
 20   20  t         -71.5  -43.7  Favored     9   69.300     7  0.35    10  0.52  molprobity  1.000  
 21   21  ttm105    -55.7  -36.0  Favored    13   82.070    11  0.37    14  0.57  molprobity  1.000  
 22   22  t80       -66.9  -46.1  Favored     9   86.530    12  0.59    16  0.31  molprobity  1.000  
 23   23  tp        -59.7  -40.8  Favored    11   73.580     8  0.40    11  0.73  molprobity  1.000  
 24   24  mt-10     -53.7  -41.9  Favored     6   74.330     9  0.42    12  0.59  molprobity  1.000  
 25   25  mt-30     -73.3  -40.0  Favored     8   79.570     9  0.46    12  0.44  molprobity  1.000  
 26   26  mm100     -57.6  -73.3  Allowed     8   79.500     9  0.39    12  0.37  molprobity  1.000  
 27   27  m-20      -32.3  -37.9  OUTLIER     6   69.110     8  0.85    11  0.35  molprobity  1.000  
 28   28  tttp      -64.6  -56.1  Favored    13   74.050     9  0.48    11  0.53  molprobity  1.000  
 29   29  mt        -45.2  -51.7  Favored    11   71.430     8  0.31    11  1.07  molprobity  1.000  
 30   30  tp        -56.4  -53.1  Favored    11   74.660     8  0.40    11  0.70  molprobity  1.000  
 31   31  mt        -50.9  -42.5  Favored    11   68.870     8  0.44    11  0.48  molprobity  1.000  
 32   32  ?         -67.1  -47.9  Favored     5   74.070     5  0.44     7  0.41  molprobity  1.000  
 33   33  mt-10     -55.3  -45.6  Favored     6   73.730     9  0.85    12  0.60  molprobity  1.000  
 34   34  mt        -61.5  -48.3  Favored    11   72.410     8  0.54    11  0.86  molprobity  1.000  
 35   35  tp10      -53.3  -30.9  Favored     6   78.370     9  0.30    12  0.38  molprobity  1.000  
 36   36  tt0       -79.0  -43.8  Favored     8   74.090     9  0.59    12  0.91  molprobity  1.000  
 37   37  tp        -58.4  -53.7  Favored    11   68.550     8  0.31    11  1.04  molprobity  1.000  
 38   38  ttpt      -42.2  -71.0  Allowed    13   70.510     9  0.51    11  0.39  molprobity  1.000  
 39   39  ?         -39.5  -44.5  Favored     3   62.130     4  1.03     5  0.55  molprobity  1.000  
 40   40  mt-30     -66.7  -46.3  Favored     8   70.490     9  0.50    12  0.34  molprobity  1.000  
 41   41  ?         -58.9  -28.9  Favored     3   66.400     4  0.51     5  0.37  molprobity  1.000  
 42   42  tttt      -71.5  -42.8  Favored    13   80.150     9  0.79    11  0.65  molprobity  1.000  
 43   43  t         -62.5  -45.9  Favored     5   68.760     6  0.63     8  0.42  molprobity  1.000  
 44   44  ttt-85    -58.1  -41.6  Favored    13   67.510    11  0.17    14  0.35  molprobity  1.000  
 45   45  mt        -71.5  -32.2  Favored    11   62.640     8  0.52    11  0.75  molprobity  1.000  
 46   46  ?         -62.1  -60.7  Favored     3   60.560     4  0.73     5  1.22  molprobity  1.000  
 47   47  m-20      -43.2  -48.3  Favored     4   64.550     8  0.63    11  0.88  molprobity  1.000  
 48   48  mt        -63.8  -40.5  Favored    11   66.860     8  0.41    11  0.49  molprobity  1.000  
 49   49  t80       -66.8  -41.2  Favored     9   69.800    13  0.47    18  0.59  molprobity  1.000  
 50   50  mm-40     -56.0  -52.8  Favored     6  100.540     9  0.42    12  0.64  molprobity  1.000  
 51   51  mm-40     -63.8  -34.8  Favored     6   80.460     9  0.21    12  0.37  molprobity  1.000  
 52   52  mm-40     -64.8  -49.2  Favored     6   75.060     9  0.63    12  0.75  molprobity  1.000  
 53   53  mmm       -62.9  -31.1  Favored     9   66.080     8  0.73    10  1.06  molprobity  1.000  
 54   54  ttm-85    -67.9  -56.3  Favored    13   90.730    11  0.17    14  0.37  molprobity  1.000  
 55   55  tt0       -50.6  -38.2  Favored     6   81.300     9  0.45    12  0.51  molprobity  1.000  
 56   56  mt        -69.0  -47.0  Favored    11   66.900     8  0.43    11  1.10  molprobity  1.000  
 57   57  mtt-85    -59.6  -45.1  Favored    13   78.370    11  0.46    14  0.60  molprobity  1.000  
 58   58  mmt180    -49.6  -50.5  Favored    13   77.280    11  0.55    14  0.85  molprobity  1.000  
 59   59  mt-30     -58.7  -43.7  Favored     8   76.100     9  0.62    12  0.86  molprobity  1.000  
 60   60  t         -59.3  -48.2  Favored     9   69.600     7  0.30    10  0.71  molprobity  1.000  
 61   61  t70       -55.9  -63.2  Allowed     4   86.340     8  0.37    11  0.45  molprobity  1.000  
 62   62  tt0       -38.4  -62.3  Allowed     8   91.770     9  0.23    12  0.41  molprobity  1.000  
 63   63  mt        -58.3  -40.1  Favored    11   70.680     8  0.50    11  0.62  molprobity  1.000  
 64   64  m         -60.6  -35.9  Favored     7   73.400     7  0.95    10  0.79  molprobity  1.000  
 65   65  m-20      -77.7  -47.2  Favored     6   84.260     8  0.40    11  0.31  molprobity  1.000  
 66   66  m-20      -53.6  -38.7  Favored     4   85.870     8  0.36    11  0.45  molprobity  1.000  
 67   67  ttpt      -74.6  -34.2  Favored    13   77.050     9  0.44    11  0.44  molprobity  1.000  
 68   68  ?         -69.4  -39.2  Favored     5   72.510     5  0.65     7  0.60  molprobity  1.000  
 69   69  mtm105    -57.0  -61.6  Favored    13   96.420    11  0.43    14  0.68  molprobity  1.000  
 70   70  p         -54.2  -35.2  Favored     9   75.400     7  0.69    10  0.42  molprobity  1.000  
 71   71  mt-10     -60.0  -42.3  Favored     6   82.650     9  0.59    12  0.32  molprobity  1.000  
 72   72  t         -64.6  -50.9  Favored     9   76.210     7  0.59    10  0.47  molprobity  1.000  
 73   73  mt-10     -53.2  -46.0  Favored     6   83.530     9  0.43    12  0.62  molprobity  1.000  
 74   74  ttp85     -55.0  -44.6  Favored    13   79.590    11  0.25    14  0.71  molprobity  1.000  
 75   75  m-20      -66.2  -53.2  Favored     4   77.130     8  0.30    11  0.56  molprobity  1.000  
 76   76  m-20      -43.2  -47.2  Favored     6   76.030     8  0.28    11  0.75  molprobity  1.000  
 77   77  mt        -67.5  -37.5  Favored    11   72.170     8  0.42    11  0.66  molprobity  1.000  
 78   78  ?         -54.4  -49.6  Favored     5   67.780     5  1.35     7  0.54  molprobity  1.000  
 79   79  tt0       -58.2  -62.0  Favored     6   88.170     9  0.48    12  0.41  molprobity  1.000  
 80   80  m-20      -48.5  -42.0  Favored     4   83.080     8  0.33    11  0.76  molprobity  1.000  
 81   81  mt        -66.4  -47.6  Favored    11   85.780     8  0.40    11  0.53  molprobity  1.000  
 82   82  ttm       -57.0  -51.1  Favored     9   91.350     8  0.35    10  0.30  molprobity  1.000  
 83   83  ttt180    -70.7  -12.1  Favored    13  103.960    11  0.16    14  0.30  molprobity  1.000  
 84   84  tp        -87.7  -31.2  Favored    11   95.510     8  0.40    11  0.74  molprobity  1.000  
 85   85  mtt85     -69.6  -28.1  Favored    13  100.890    11  0.35    14  0.44  molprobity  1.000  
 86   86  mm-40     -59.9  -40.9  Favored     6  107.720     9  0.50    12  0.32  molprobity  1.000  
 87   87  mttm      -76.3  -48.2  Favored    13   96.720     9  0.63    11  0.67  molprobity  1.000  
 88   88  pp            ?      ?  ?          11  108.220     7  0.24     8  1.21  molprobity  1.000  
 89   89  p             ?      ?  ?           6  124.920     7  0.42    10  0.59  molprobity  1.000  
 90   90  ptt85     -85.8   15.5  Favored    13  114.560    11  0.48    14  0.59  molprobity  1.000  
 91   91  p         -83.6  -34.9  Favored     7  104.630     7  0.40    10  0.66  molprobity  1.000  
 92   92  m-20      -52.4  -65.3  Allowed     6  103.390     8  0.43    11  0.67  molprobity  1.000  
 93   93  tp10      -34.6  -61.6  Allowed     6   81.490     9  0.19    12  0.29  molprobity  1.000  
 94   94  mtpt      -50.0  -44.0  Favored    13   77.730     9  0.42    11  0.51  molprobity  1.000  
 95   95  t         -59.5  -65.3  Allowed     9   71.440     7  0.69    10  1.00  molprobity  1.000  
 96   96  mm-40     -47.9  -53.4  Favored     6   77.720     9  0.65    12  0.54  molprobity  1.000  
 97   97  mt        -49.4  -44.1  Favored    11   66.890     8  0.71    11  0.83  molprobity  1.000  
 98   98  tt0       -67.7  -41.9  Favored     8   80.550     9  0.26    12  0.58  molprobity  1.000  
 99   99  mt-10     -59.8  -51.7  Favored     6   75.130     9  0.58    12  0.73  molprobity  1.000  
100  100  tp        -63.2  -41.0  Favored    11   69.210     8  0.35    11  0.68  molprobity  1.000  
101  101  m-20      -67.1  -38.2  Favored     6   70.430     8  0.45    11  0.52  molprobity  1.000  
102  102  m-20      -62.0  -34.5  Favored     4   73.990     8  0.33    11  0.58  molprobity  1.000  
103  103  mtt-85    -66.5  -45.2  Favored    13   75.220    11  0.24    14  0.74  molprobity  1.000  
104  104  m-85      -55.5  -49.6  Favored     9   68.240    12  0.65    16  0.65  molprobity  1.000  
105  105  ?         -54.5  -41.7  Favored     5   64.600     5  0.37     7  0.64  molprobity  1.000  
106  106  t-20      -63.4  -55.6  Favored     6   68.770     8  0.59    11  0.57  molprobity  1.000  
107  107  mt        -52.5  -55.3  Favored    11   69.100     8  0.45    11  0.59  molprobity  1.000  
108  108  mt        -37.0  -58.4  Allowed    11   62.210     8  0.76    11  0.46  molprobity  1.000  
109  109  m-20      -52.5  -55.0  Favored     4   70.640     8  0.79    11  0.71  molprobity  1.000  
110  110  mttp      -52.9  -45.0  Favored    13   65.660     9  0.44    11  0.84  molprobity  1.000  
111  111  t         -65.2  -26.8  Favored     9   62.910     7  0.59    10  0.66  molprobity  1.000  
112  112  mtt180    -79.4  -14.6  Favored    13   74.110    11  0.58    14  0.65  molprobity  1.000  
113  113  t80       -87.7  -46.0  Favored     9   73.870    12  0.83    16  0.78  molprobity  1.000  
114  114  mt        -41.6  -31.6  Allowed    11   62.430     8  0.43    11  0.23  molprobity  1.000  
115  115  mt-10     -80.5  -43.5  Favored     6   64.310     9  0.47    12  0.44  molprobity  1.000  
116  116  mt-30     -58.9  -47.1  Favored     8   78.410     9  0.47    12  0.76  molprobity  1.000  
117  117  mt-30     -58.7  -47.5  Favored     8   63.200     9  0.68    12  0.39  molprobity  1.000  
118  118  m-20      -60.5  -40.0  Favored     6   62.870     8  0.29    11  0.65  molprobity  1.000  
119  119  mtpt      -59.6  -49.0  Favored    13   72.890     9  0.91    11  1.06  molprobity  1.000  
120  120  mt        -64.1  -44.8  Favored    11   62.750     8  0.54    11  0.39  molprobity  1.000  
121  121  tp        -48.2  -45.8  Favored    11   68.320     8  0.54    11  0.81  molprobity  1.000  
122  122  mt        -66.8  -30.4  Favored    11   61.570     8  0.47    11  0.73  molprobity  1.000  
123  123  ?         -72.5  -55.1  Favored     5   62.540     5  0.61     7  0.91  molprobity  1.000  
124  124  mm-40     -39.7  -56.9  Allowed     6   73.730     9  0.84    12  0.80  molprobity  1.000  
125  125  mt        -55.1  -41.6  Favored    11   58.890     8  0.50    11  0.62  molprobity  1.000  
126  126  mm-40     -61.4  -47.7  Favored     6   71.210     9  0.71    12  0.65  molprobity  1.000  
127  127  mm-40     -53.8  -49.1  Favored     8   74.110     9  0.61    12  0.42  molprobity  1.000  
128  128  mm?       -65.6  -39.2  Favored    11   65.800     8  0.23    11  0.69  molprobity  1.000  
129  129  tttt      -60.4  -46.6  Favored    13   60.040     9  0.67    11  0.75  molprobity  1.000  
130  130  ?         -60.9  -41.2  Favored     3   55.080     4  0.72     5  0.57  molprobity  1.000  
131  131  mt-30     -61.2  -51.6  Favored     8   62.780     9  0.52    12  0.77  molprobity  1.000  
132  132  ?         -55.8  -43.8  Favored     3   60.750     4  0.39     5  0.50  molprobity  1.000  
133  133  mtpt      -74.7  -28.6  Favored    13   71.840     9  0.36    11  0.53  molprobity  1.000  
134  134  t         -64.9  -54.2  Favored     5   64.720     6  0.66     8  1.30  molprobity  1.000  
135  135  tpt180    -59.5  -63.5  Allowed    13   66.000    11  0.66    14  0.85  molprobity  1.000  
136  136  tp        -40.0  -41.9  Allowed    11   66.350     8  0.44    11  0.67  molprobity  1.000  
137  137  ?         -67.4  -26.7  Favored     3   62.590     4  0.53     5  0.74  molprobity  1.000  
138  138  m-20      -69.1  -39.2  Favored     4   64.450     8  0.32    11  0.56  molprobity  1.000  
139  139  mt        -75.1  -38.3  Favored    11   67.390     8  0.51    11  0.62  molprobity  1.000  
140  140  m-85      -67.8  -33.2  Favored     9   74.340    13  0.45    18  0.62  molprobity  1.000  
141  141  tp10      -71.2  -48.7  Favored     6   76.800     9  0.56    12  0.71  molprobity  1.000  
142  142  tt0       -52.8  -57.1  Favored     6   77.780     9  0.38    12  0.34  molprobity  1.000  
143  143  mt-10     -42.4  -48.7  Favored     6   78.920     9  0.26    12  0.27  molprobity  1.000  
144  144  ttm       -68.9  -44.6  Favored     9   64.820     8  0.50    10  0.54  molprobity  0.961  
145  145  ttp-105   -58.8  -35.9  Favored    13   67.170    11  0.53    14  0.95  molprobity  1.000  
146  146  mm-40     -64.9  -49.6  Favored     6   78.990     9  0.41    12  0.44  molprobity  1.000  
147  147  mt        -57.8  -31.1  Favored    11   67.470     8  0.35    11  1.00  molprobity  1.000  
148  148  mtt-85    -76.0  -48.9  Favored    13   73.050    11  0.95    14  0.98  molprobity  1.000  
149  149  mtp180    -57.1  -45.0  Favored    13   68.680    11  0.66    14  0.66  molprobity  1.000  
150  150  tt0       -60.0  -42.9  Favored     8   67.020     9  0.49    12  0.41  molprobity  1.000  
151  151  t         -60.8  -44.5  Favored     9   60.400     7  0.31    10  0.51  molprobity  1.000  
152  152  m-20      -65.7  -37.0  Favored     4   63.540     8  1.04    11  1.01  molprobity  1.000  
153  153  mm100     -66.1  -63.5  Allowed     8   67.470     9  0.25    12  0.43  molprobity  1.000  
154  154  mt        -38.4  -44.6  Allowed    11   65.320     8  0.36    11  0.86  molprobity  1.000  
155  155  m         -65.8  -30.9  Favored     7   58.340     7  0.46    10  0.55  molprobity  1.000  
156  156  m-20      -85.8  -37.4  Favored     6   60.760     8  0.53    11  0.54  molprobity  1.000  
157  157  t0        -56.9  -62.5  Allowed     4   71.760     8  0.43    11  0.50  molprobity  1.000  
158  158  tttt      -47.8  -40.0  Favored    13   79.250     9  0.45    11  0.49  molprobity  1.000  
159  159  ?         -65.8  -35.0  Favored     5   67.030     5  0.68     7  0.51  molprobity  1.000  
160  160  mtm-85    -67.0  -52.5  Favored    13   64.220    11  0.76    14  0.94  molprobity  1.000  
161  161  t         -56.9  -29.3  Favored     9   71.850     7  0.46    10  0.37  molprobity  1.000  
162  162  mt-10     -74.7  -43.4  Favored     6   79.460     9  0.79    12  0.50  molprobity  1.000  
163  163  t         -53.3  -36.2  Favored     9   78.860     7  0.26    10  0.70  molprobity  1.000  
164  164  tt0       -73.5  -58.5  Favored     6   79.860     9  0.97    12  0.59  molprobity  1.000  
165  165  ttp180    -49.8  -43.8  Favored    13   84.220    11  0.29    14  0.53  molprobity  1.000  
166  166  m-20      -71.9  -27.5  Favored     4   85.480     8  0.30    11  0.51  molprobity  1.000  
167  167  m-20      -66.0  -32.6  Favored     6   90.070     8  0.29    11  0.38  molprobity  1.000  
168  168  mt        -80.7  -21.7  Favored    11   76.110     8  0.74    11  0.46  molprobity  1.000  
169  169  ?         -73.9  -26.3  Favored     5   81.050     5  0.56     7  0.53  molprobity  1.000  
170  170  pt-20     -80.4  -33.5  Favored     6   95.930     9  0.42    12  0.61  molprobity  1.000  
171  171  m-20      -62.3  -56.2  Favored     4   90.690     8  0.39    11  0.65  molprobity  1.000  
172  172  pp        -62.5  -30.3  Favored    11   90.930     8  0.55    11  1.19  molprobity  1.000  
173  173  ttm       -68.0  -37.3  Favored     9  104.180     8  0.31    10  0.54  molprobity  1.000  
174  174  mtt85     -71.4  -51.8  Favored    13  106.300    11  0.23    14  0.42  molprobity  1.000  
175  175  mt        -61.6  -34.5  Favored    11  101.790     8  0.33    11  0.51  molprobity  1.000  
176  176  mtt85     -65.0  -26.5  Favored    13   96.670    11  0.48    14  0.64  molprobity  1.000  
177  177  mt-10     -82.3   -1.0  Favored     6  104.770     9  0.36    12  0.37  molprobity  1.000  
178  178  mttt     -102.1   -2.0  Favored    13  102.850     9  0.59    11  0.50  molprobity  1.000  
179  179  tp            ?      ?  ?          11   86.090     7  0.21     8  0.75  molprobity  1.000  
180  180  ?             ?      ?  ?           8   89.210     5  0.36     5  0.28  mogul       1.000  
181  181  ?             ?      ?  ?           8   89.210     5  0.35     5  0.52  mogul       1.000  
182  182  ?             ?      ?  ?           ?   70.080     ?     ?     ?     ?  ?           1.000  
183  183  ?             ?      ?  ?           ?   50.810     ?     ?     ?     ?  ?           1.000  
184  184  ?             ?      ?  ?           ?   39.700     ?     ?     ?     ?  ?           1.000  
185  185  ?             ?      ?  ?           ?   50.140     ?     ?     ?     ?  ?           0.500  
#
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  HG12   1  0.46  2.16  
 2    5  O      1  0.46  2.16  
 3    8  O      2  0.49  2.13  
 4   11  HB2    2  0.49  2.13  
 5   15  O      3  0.42  2.20  
 6   18  HB2    3  0.42  2.20  
 7   26  HA     4  0.55  2.04  
 8   26  OE1    4  0.55  2.04  
 9   27  OD1    5  0.82  2.27  
10   27  OD1    6  0.78  1.84  
11   27  OD1    7  0.71  1.90  
12   46  O      8  0.67  1.95  
13   50  HG2    8  0.67  1.95  
14   52  OE1    9  0.47  2.46  
15   54  HH11  10  0.70  1.56  
16   54  HG3   10  0.70  1.56  
17   54  HG3   11  0.57  2.20  
18   54  NH1   11  0.57  2.20  
19   67  HA    12  0.40  2.04  
20   70  HG21  13  0.77  1.67  
21   70  HG21  14  0.42  2.45  
22   70  HG22  15  0.41  2.03  
23   70  HG12  12  0.40  2.04  
24   81  HG13  16  0.58  1.85  
25   81  HG13  17  0.55  2.36  
26   81  HD11  18  0.41  2.02  
27   83  HA    19  0.42  2.49  
28   86  CG    19  0.42  2.49  
29   95  HG12  20  0.44  2.31  
30   96  N     20  0.44  2.31  
31  119  HE2   21  0.41  1.70  
32  119  HB3   21  0.41  1.70  
33  122  O     22  0.56  2.05  
34  126  HG2   22  0.56  2.05  
35  135  O     23  0.53  2.07  
36  135  O     24  0.41  2.53  
37  136  HG    25  0.51  2.45  
38  136  HG    26  0.49  1.77  
39  138  HB2   23  0.53  2.07  
40  138  N     24  0.41  2.53  
41  140  CE2   25  0.51  2.45  
42  140  HE2   26  0.49  1.77  
43  144  O     27  0.47  2.14  
44  148  HG3   27  0.47  2.14  
45  148  NH2    9  0.47  2.46  
46  157  HA    28  0.51  2.25  
47  160  NH2   28  0.51  2.25  
48  161  HG12  15  0.41  2.03  
49  162  HG3   13  0.77  1.67  
50  162  CG    14  0.42  2.45  
51  165  NE    29  0.41  2.51  
52  166  OD1   29  0.41  2.51  
53  167  O     30  0.76  1.86  
54  170  HG2   30  0.76  1.86  
55  171  HB2   18  0.41  2.02  
56  172  HD13  31  0.59  2.18  
57  172  HD13  32  0.53  1.72  
58  172  HG23  16  0.58  1.85  
59  172  CG2   17  0.55  2.36  
60  172  HD12  33  0.45  2.32  
61  173  N     33  0.45  2.32  
62  176  NH1   31  0.59  2.18  
63  176  HH11  32  0.53  1.72  
64  180  C1     5  0.82  2.27  
65  180  H12    6  0.78  1.84  
66  180  H11    7  0.71  1.90  
#
loop_
_pdbx_vrpt_instance_mogul_torsion_outliers.ordinal
_pdbx_vrpt_instance_mogul_torsion_outliers.instance_id
_pdbx_vrpt_instance_mogul_torsion_outliers.atom_1
_pdbx_vrpt_instance_mogul_torsion_outliers.atom_2
_pdbx_vrpt_instance_mogul_torsion_outliers.atom_3
_pdbx_vrpt_instance_mogul_torsion_outliers.atom_4
_pdbx_vrpt_instance_mogul_torsion_outliers.obsval
_pdbx_vrpt_instance_mogul_torsion_outliers.mean
_pdbx_vrpt_instance_mogul_torsion_outliers.numobs
_pdbx_vrpt_instance_mogul_torsion_outliers.stdev
_pdbx_vrpt_instance_mogul_torsion_outliers.mindiff
_pdbx_vrpt_instance_mogul_torsion_outliers.local_density
1  180  O1  C1  C2  O2    10.08  72.61  230  43.32   0.50  0.87  
2  180  O1  C1  C2  C3   130.08  55.82  133  15.00  29.96  0.00  
3  181  O1  C1  C2  O2    14.80  67.89  230  43.32   0.64  1.30  
4  181  O1  C1  C2  C3  -106.17  57.80  133  11.91   9.21  0.75  
#
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  0.757  0.228   0.999  
  2    2   9  0.808  0.257   0.848  
  3    3   9  0.857  0.184  -0.180  
  4    4   7  0.936  0.179   0.320  
  5    5   9  0.818  0.250   0.761  
  6    6   8  0.912  0.206   0.622  
  7    7   9  0.810  0.140  -0.490  
  8    8   9  0.837  0.325   1.693  
  9    9   8  0.856  0.242   1.209  
 10   10   8  0.945  0.184   0.352  
 11   11   8  0.847  0.272   1.539  
 12   12  11  0.849  0.211   0.366  
 13   13  11  0.950  0.179   0.348  
 14   14   5  0.964  0.123  -0.417  
 15   15   8  0.908  0.196   0.529  
 16   16   8  0.953  0.176   0.132  
 17   17   8  0.894  0.255   1.490  
 18   18   8  0.915  0.193   0.427  
 19   19   9  0.970  0.193  -0.068  
 20   20   7  0.938  0.170   0.169  
 21   21  11  0.877  0.238   0.724  
 22   22  11  0.891  0.236   1.303  
 23   23   8  0.944  0.224   0.915  
 24   24   9  0.887  0.191   0.029  
 25   25   9  0.918  0.238   0.844  
 26   26   9  0.911  0.142  -0.463  
 27   27   8  0.914  0.156  -0.059  
 28   28   9  0.955  0.143  -0.688  
 29   29   8  0.935  0.190   0.403  
 30   30   8  0.966  0.206   0.622  
 31   31   8  0.973  0.167  -0.015  
 32   32   5  0.967  0.130  -0.303  
 33   33   9  0.878  0.196   0.091  
 34   34   8  0.943  0.239   1.160  
 35   35   9  0.922  0.125  -0.791  
 36   36   9  0.937  0.184   0.109  
 37   37   8  0.967  0.158  -0.162  
 38   38   9  0.927  0.192  -0.081  
 39   39   4  0.961  0.112  -0.490  
 40   40   9  0.922  0.169  -0.095  
 41   41   4  0.920  0.153   0.113  
 42   42   9  0.962  0.209   0.130  
 43   43   6  0.961  0.107  -0.675  
 44   44  11  0.798  0.224   0.538  
 45   45   8  0.971  0.181   0.214  
 46   46   4  0.912  0.163   0.260  
 47   47   8  0.923  0.127  -0.503  
 48   48   8  0.985  0.176   0.132  
 49   49  12  0.951  0.203   0.882  
 50   50   9  0.914  0.295   1.320  
 51   51   9  0.920  0.227   0.476  
 52   52   9  0.910  0.187  -0.021  
 53   53   8  0.895  0.172   0.301  
 54   54  11  0.885  0.236   0.698  
 55   55   9  0.937  0.159  -0.369  
 56   56   8  0.893  0.177   0.148  
 57   57  11  0.913  0.148  -0.469  
 58   58  11  0.866  0.307   1.639  
 59   59   9  0.938  0.172  -0.054  
 60   60   7  0.955  0.236   1.275  
 61   61   8  0.929  0.242   1.117  
 62   62   9  0.937  0.191   0.204  
 63   63   8  0.942  0.234   1.078  
 64   64   7  0.941  0.154   0.032  
 65   65   8  0.897  0.176   0.235  
 66   66   8  0.931  0.128  -0.489  
 67   67   9  0.905  0.190  -0.105  
 68   68   5  0.949  0.166   0.280  
 69   69  11  0.871  0.321   1.825  
 70   70   7  0.913  0.179   0.320  
 71   71   9  0.938  0.180  -0.108  
 72   72   7  0.922  0.148  -0.199  
 73   73   9  0.906  0.137  -0.642  
 74   74  11  0.961  0.178  -0.072  
 75   75   8  0.905  0.119  -0.615  
 76   76   8  0.942  0.129  -0.455  
 77   77   8  0.971  0.191   0.377  
 78   78   5  0.985  0.125  -0.384  
 79   79   9  0.911  0.159  -0.369  
 80   80   8  0.918  0.183   0.286  
 81   81   8  0.938  0.245   1.323  
 82   82   8  0.951  0.139  -0.239  
 83   83  11  0.831  0.321   1.825  
 84   84   8  0.934  0.298   2.122  
 85   85  11  0.863  0.297   1.507  
 86   86   9  0.818  0.337   1.842  
 87   87   9  0.825  0.254   0.688  
 88   88   8  0.922  0.310   2.318  
 89   89   7  0.843  0.187   0.568  
 90   90  11  0.783  0.372   2.501  
 91   91   7  0.893  0.183   0.503  
 92   92   8  0.868  0.234   1.087  
 93   93   9  0.861  0.204   0.190  
 94   94   9  0.931  0.175  -0.291  
 95   95   7  0.976  0.141  -0.317  
 96   96   9  0.869  0.132  -0.704  
 97   97   8  0.904  0.169   0.018  
 98   98   9  0.867  0.260   1.143  
 99   99   9  0.917  0.143  -0.568  
100  100   8  0.946  0.189   0.344  
101  101   8  0.902  0.151  -0.132  
102  102   8  0.922  0.125  -0.531  
103  103  11  0.907  0.145  -0.509  
104  104  11  0.933  0.180   0.365  
105  105   5  0.984  0.164   0.248  
106  106   8  0.955  0.143  -0.250  
107  107   8  0.941  0.241   1.192  
108  108   8  0.961  0.197   0.520  
109  109   8  0.923  0.165   0.032  
110  110   9  0.946  0.169  -0.366  
111  111   7  0.977  0.215   0.923  
112  112  11  0.931  0.194   0.141  
113  113  11  0.888  0.214   0.935  
114  114   8  0.959  0.218   0.817  
115  115   9  0.923  0.221   0.401  
116  116   9  0.938  0.210   0.463  
117  117   9  0.894  0.218   0.571  
118  118   8  0.962  0.205   0.661  
119  119   9  0.952  0.253   0.675  
120  120   8  0.964  0.244   1.306  
121  121   8  0.970  0.288   1.959  
122  122   8  0.951  0.214   0.752  
123  123   5  0.963  0.176   0.442  
124  124   9  0.928  0.197   0.103  
125  125   8  0.976  0.239   1.160  
126  126   9  0.937  0.234   0.563  
127  127   9  0.924  0.261   1.156  
128  128   8  0.949  0.287   1.943  
129  129   9  0.959  0.188  -0.130  
130  130   4  0.932  0.123  -0.328  
131  131   9  0.951  0.187   0.150  
132  132   4  0.948  0.229   1.231  
133  133   9  0.957  0.192  -0.081  
134  134   6  0.962  0.148  -0.039  
135  135  11  0.932  0.177  -0.085  
136  136   8  0.971  0.225   0.931  
137  137   4  0.971  0.230   1.246  
138  138   8  0.937  0.173   0.145  
139  139   8  0.971  0.224   0.915  
140  140  12  0.954  0.224   1.251  
141  141   9  0.942  0.213   0.302  
142  142   9  0.927  0.169  -0.245  
143  143   9  0.961  0.172  -0.207  
144  144   8  0.980  0.231   1.265  
145  145  11  0.917  0.193   0.127  
146  146   9  0.868  0.265   0.948  
147  147   8  0.959  0.261   1.519  
148  148  11  0.859  0.212   0.379  
149  149  11  0.924  0.218   0.459  
150  150   9  0.934  0.232   0.762  
151  151   7  0.953  0.201   0.688  
152  152   8  0.948  0.159  -0.052  
153  153   9  0.943  0.166  -0.136  
154  154   8  0.974  0.262   1.535  
155  155   7  0.952  0.147  -0.081  
156  156   8  0.958  0.147  -0.191  
157  157   8  0.946  0.143  -0.277  
158  158   9  0.935  0.185  -0.167  
159  159   5  0.973  0.183   0.556  
160  160  11  0.946  0.135  -0.642  
161  161   7  0.965  0.223   1.057  
162  162   9  0.907  0.122  -0.829  
163  163   7  0.941  0.141  -0.317  
164  164   9  0.889  0.124  -0.804  
165  165  11  0.913  0.196   0.167  
166  166   8  0.899  0.120  -0.601  
167  167   8  0.898  0.149  -0.162  
168  168   8  0.938  0.179   0.181  
169  169   5  0.952  0.135  -0.222  
170  170   9  0.791  0.274   1.060  
171  171   8  0.860  0.148  -0.207  
172  172   8  0.882  0.264   1.640  
173  173   8  0.900  0.149  -0.075  
174  174  11  0.877  0.284   1.334  
175  175   8  0.921  0.240   1.176  
176  176  11  0.876  0.260   1.016  
177  177   9  0.868  0.156  -0.406  
178  178   9  0.878  0.395   2.435  
179  179   8  0.819  0.241   1.192  
180  180   6  0.826  0.290       ?  
181  181   6  0.886  0.191       ?  
182  182   1  0.725  0.337       ?  
183  183   1  0.480  0.280       ?  
184  184   1  0.621  0.284       ?  
185  185   1  0.489  0.227       ?  
#
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          2.36                                                                  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  
##
