data_1TP0

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  1TP0
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    1TP0
_pdbx_vrpt_summary.PDB_deposition_date         2004-06-15
_pdbx_vrpt_summary.PDB_revision_number         5
_pdbx_vrpt_summary.PDB_revision_date           2021-10-27
_pdbx_vrpt_summary.report_creation_date        2021-10-16:23:07
_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  "Interleukin-1 beta"  
2  water    water  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  2  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all  x-ray  
2  2.2  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  R_value_R_free                
#
loop_
_pdbx_vrpt_percentile_conditions.id
_pdbx_vrpt_percentile_conditions.percentile_list_id
_pdbx_vrpt_percentile_conditions.type_id
_pdbx_vrpt_percentile_conditions.rank
_pdbx_vrpt_percentile_conditions.number_entries_total
_pdbx_vrpt_percentile_conditions.res_high
_pdbx_vrpt_percentile_conditions.res_low
1  1  1  12.50  141614     ?     ?  
2  2  1  12.01    5594  2.20  2.20  
3  1  2   5.04  138981     ?     ?  
4  2  2   2.51    5503  2.20  2.20  
5  1  3  24.16  138945     ?     ?  
6  2  3  29.83    5504  2.20  2.20  
7  1  4  57.97  130704     ?     ?  
8  2  4  72.68    4898  2.20  2.20  
#
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   5.04  
2  4  2  A  1  1  A   2.51  
3  5  3  A  1  1  A  24.16  
4  6  3  A  1  1  A  29.83  
#
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  0.35  1254  1691  
2  1  2  B  A     ?     ?     ?     ?  
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  2.65
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       5.00
_pdbx_vrpt_summary_geometry.clashscore                     16.74
_pdbx_vrpt_summary_geometry.num_H_reduce                   1221
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 1254
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.35
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                1691
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.62
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.Babinet_b                 74.127
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            52.586
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         35.123
_pdbx_vrpt_summary_diffraction.I_over_sigma              4.08(2.34A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        9569
_pdbx_vrpt_summary_diffraction.Babinet_k                 0.392
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.352
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.412
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.234
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.962
_pdbx_vrpt_summary_diffraction.twin_fraction             h,-k,-l:0.259
_pdbx_vrpt_summary_diffraction.DCC_R                     0.20
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.23
_pdbx_vrpt_summary_diffraction.EDS_R                     0.15
_pdbx_vrpt_summary_diffraction.EDS_res_high              2.34
_pdbx_vrpt_summary_diffraction.EDS_res_low               44.72
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[33.440,33.440,38.610,0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.147
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 5.25% 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         1
_pdbx_vrpt_summary_diffraction.centric_outliers          0
_pdbx_vrpt_summary_diffraction.data_completeness         98.54
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      499
_pdbx_vrpt_summary_diffraction.percent_free_reflections  5.21
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       2.20
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        76.90
_pdbx_vrpt_summary_diffraction.PDB_R                     0.21
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.24
#
loop_
_pdbx_vrpt_model_instance.id
_pdbx_vrpt_model_instance.PDB_model_num
_pdbx_vrpt_model_instance.entity_id
_pdbx_vrpt_model_instance.label_asym_id
_pdbx_vrpt_model_instance.label_seq_id
_pdbx_vrpt_model_instance.label_comp_id
_pdbx_vrpt_model_instance.auth_asym_id
_pdbx_vrpt_model_instance.auth_seq_id
_pdbx_vrpt_model_instance.label_alt_id
_pdbx_vrpt_model_instance.PDB_ins_code
_pdbx_vrpt_model_instance.count_clashes
  1  1  1  A    1  ALA  A    1  .  ?        ?  
  2  1  1  A    2  PRO  A    2  .  ?        ?  
  3  1  1  A    3  VAL  A    3  .  ?        ?  
  4  1  1  A    4  ARG  A    4  .  ?        ?  
  5  1  1  A    5  SER  A    5  .  ?        ?  
  6  1  1  A    6  LEU  A    6  .  ?        4  
  7  1  1  A    7  ASN  A    7  .  ?        2  
  8  1  1  A    8  CYS  A    8  .  ?        ?  
  9  1  1  A    9  THR  A    9  .  ?        ?  
 10  1  1  A   10  LEU  A   10  .  ?        ?  
 11  1  1  A   11  ARG  A   11  .  ?        ?  
 12  1  1  A   12  ASP  A   12  .  ?        ?  
 13  1  1  A   13  SER  A   13  .  ?        ?  
 14  1  1  A   14  GLN  A   14  .  ?        ?  
 15  1  1  A   15  GLN  A   15  .  ?        ?  
 16  1  1  A   16  LYS  A   16  .  ?        ?  
 17  1  1  A   17  SER  A   17  .  ?        ?  
 18  1  1  A   18  LEU  A   18  .  ?        ?  
 19  1  1  A   19  VAL  A   19  .  ?        ?  
 20  1  1  A   20  MET  A   20  .  ?        ?  
 21  1  1  A   21  SER  A   21  .  ?        3  
 22  1  1  A   22  GLY  A   22  .  ?        ?  
 23  1  1  A   23  PRO  A   23  .  ?        ?  
 24  1  1  A   24  TYR  A   24  .  ?        ?  
 25  1  1  A   25  GLU  A   25  .  ?        ?  
 26  1  1  A   26  LEU  A   26  .  ?        ?  
 27  1  1  A   27  LYS  A   27  .  ?        3  
 28  1  1  A   28  ALA  A   28  .  ?        ?  
 29  1  1  A   29  LEU  A   29  .  ?        2  
 30  1  1  A   30  HIS  A   30  .  ?        1  
 31  1  1  A   31  LEU  A   31  .  ?        3  
 32  1  1  A   32  GLN  A   32  .  ?        ?  
 33  1  1  A   33  GLY  A   33  .  ?        ?  
 34  1  1  A   34  GLN  A   34  .  ?        2  
 35  1  1  A   35  ASP  A   35  .  ?        1  
 36  1  1  A   36  MET  A   36  .  ?        ?  
 37  1  1  A   37  GLU  A   37  .  ?        ?  
 38  1  1  A   38  GLN  A   38  .  ?        ?  
 39  1  1  A   39  GLN  A   39  .  ?        ?  
 40  1  1  A   40  VAL  A   40  .  ?        ?  
 41  1  1  A   41  VAL  A   41  .  ?        ?  
 42  1  1  A   42  TRP  A   42  .  ?        1  
 43  1  1  A   43  SER  A   43  .  ?        ?  
 44  1  1  A   44  MET  A   44  .  ?        ?  
 45  1  1  A   45  SER  A   45  .  ?        ?  
 46  1  1  A   46  PHE  A   46  .  ?        ?  
 47  1  1  A   47  VAL  A   47  .  ?        1  
 48  1  1  A   48  GLN  A   48  .  ?        ?  
 49  1  1  A   49  GLY  A   49  .  ?        ?  
 50  1  1  A   50  GLU  A   50  .  ?        ?  
 51  1  1  A   51  GLU  A   51  .  ?        ?  
 52  1  1  A   52  SER  A   52  .  ?        1  
 53  1  1  A   53  ASN  A   53  .  ?        ?  
 54  1  1  A   54  ASP  A   54  .  ?        ?  
 55  1  1  A   55  LYS  A   55  .  ?        1  
 56  1  1  A   56  ILE  A   56  .  ?        ?  
 57  1  1  A   57  PRO  A   57  .  ?        ?  
 58  1  1  A   58  VAL  A   58  .  ?        ?  
 59  1  1  A   59  ALA  A   59  .  ?        ?  
 60  1  1  A   60  LEU  A   60  .  ?        ?  
 61  1  1  A   61  GLY  A   61  .  ?        ?  
 62  1  1  A   62  LEU  A   62  .  ?        ?  
 63  1  1  A   63  LYS  A   63  .  ?        1  
 64  1  1  A   64  GLU  A   64  .  ?        1  
 65  1  1  A   65  LYS  A   65  .  ?        ?  
 66  1  1  A   66  ASN  A   66  .  ?        8  
 67  1  1  A   67  LEU  A   67  .  ?        ?  
 68  1  1  A   68  TYR  A   68  .  ?        ?  
 69  1  1  A   69  LEU  A   69  .  ?        1  
 70  1  1  A   70  SER  A   70  .  ?        1  
 71  1  1  A   71  CYS  A   71  .  ?        ?  
 72  1  1  A   72  VAL  A   72  .  ?        ?  
 73  1  1  A   73  LEU  A   73  .  ?        ?  
 74  1  1  A   74  LYS  A   74  .  ?        ?  
 75  1  1  A   75  ASP  A   75  .  ?        ?  
 76  1  1  A   76  ASP  A   76  .  ?        ?  
 77  1  1  A   77  LYS  A   77  .  ?        1  
 78  1  1  A   78  PRO  A   78  .  ?        ?  
 79  1  1  A   79  THR  A   79  .  ?        ?  
 80  1  1  A   80  LEU  A   80  .  ?        2  
 81  1  1  A   81  GLN  A   81  .  ?        ?  
 82  1  1  A   82  LEU  A   82  .  ?        2  
 83  1  1  A   83  GLU  A   83  .  ?        ?  
 84  1  1  A   84  SER  A   84  .  ?        ?  
 85  1  1  A   85  VAL  A   85  .  ?        ?  
 86  1  1  A   86  ASP  A   86  .  ?        ?  
 87  1  1  A   87  PRO  A   87  .  ?        ?  
 88  1  1  A   88  LYS  A   88  .  ?        2  
 89  1  1  A   89  ASN  A   89  .  ?        ?  
 90  1  1  A   90  TYR  A   90  .  ?        ?  
 91  1  1  A   91  PRO  A   91  .  ?        ?  
 92  1  1  A   92  LYS  A   92  .  ?        ?  
 93  1  1  A   93  LYS  A   93  .  ?        ?  
 94  1  1  A   94  LYS  A   94  .  ?        4  
 95  1  1  A   95  MET  A   95  .  ?        1  
 96  1  1  A   96  GLU  A   96  .  ?        ?  
 97  1  1  A   97  LYS  A   97  .  ?        2  
 98  1  1  A   98  ARG  A   98  .  ?        ?  
 99  1  1  A   99  PHE  A   99  .  ?        ?  
100  1  1  A  100  VAL  A  100  .  ?        ?  
101  1  1  A  101  TRP  A  101  .  ?        ?  
102  1  1  A  102  ASN  A  102  .  ?        ?  
103  1  1  A  103  LYS  A  103  .  ?        ?  
104  1  1  A  104  ILE  A  104  .  ?        ?  
105  1  1  A  105  GLU  A  105  .  ?        1  
106  1  1  A  106  ILE  A  106  .  ?        6  
107  1  1  A  107  ASN  A  107  .  ?        4  
108  1  1  A  108  ASN  A  108  .  ?        ?  
109  1  1  A  109  LYS  A  109  .  ?        2  
110  1  1  A  110  LEU  A  110  .  ?        ?  
111  1  1  A  111  GLU  A  111  .  ?        1  
112  1  1  A  112  PHE  A  112  .  ?        ?  
113  1  1  A  113  GLU  A  113  .  ?        ?  
114  1  1  A  114  SER  A  114  .  ?        ?  
115  1  1  A  115  ALA  A  115  .  ?        2  
116  1  1  A  116  GLN  A  116  .  ?        ?  
117  1  1  A  117  PHE  A  117  .  ?        ?  
118  1  1  A  118  PRO  A  118  .  ?        ?  
119  1  1  A  119  ASN  A  119  .  ?        ?  
120  1  1  A  120  TRP  A  120  .  ?        ?  
121  1  1  A  121  TYR  A  121  .  ?        2  
122  1  1  A  122  ILE  A  122  .  ?        ?  
123  1  1  A  123  SER  A  123  .  ?        ?  
124  1  1  A  124  THR  A  124  .  ?        ?  
125  1  1  A  125  SER  A  125  .  ?        ?  
126  1  1  A  126  GLN  A  126  .  ?        ?  
127  1  1  A  127  ALA  A  127  .  ?        ?  
128  1  1  A  128  GLU  A  128  .  ?        1  
129  1  1  A  129  ASN  A  129  .  ?        ?  
130  1  1  A  130  MET  A  130  .  ?        ?  
131  1  1  A  131  PRO  A  131  .  ?        ?  
132  1  1  A  132  VAL  A  132  .  ?        ?  
133  1  1  A  133  PHE  A  133  .  ?        ?  
134  1  1  A  134  LEU  A  134  .  ?        ?  
135  1  1  A  135  GLY  A  135  .  ?        ?  
136  1  1  A  136  GLY  A  136  .  ?        ?  
137  1  1  A  137  THR  A  137  .  ?        ?  
138  1  1  A  138  LYS  A  138  .  ?        4  
139  1  1  A  139  GLY  A  139  .  ?        ?  
140  1  1  A  140  GLY  A  140  .  ?        ?  
141  1  1  A  141  GLN  A  141  .  ?        ?  
142  1  1  A  142  ASP  A  142  .  ?        ?  
143  1  1  A  143  ILE  A  143  .  ?        ?  
144  1  1  A  144  THR  A  144  .  ?        1  
145  1  1  A  145  ASP  A  145  .  ?        ?  
146  1  1  A  146  TRP  A  146  .  ?        ?  
147  1  1  A  147  THR  A  147  .  ?        ?  
148  1  1  A  148  MET  A  148  .  ?        ?  
149  1  1  A  149  GLN  A  149  .  ?        ?  
150  1  1  A  150  PHE  A  150  .  ?        ?  
151  1  1  A  151  VAL  A  151  .  ?        1  
152  1  1  A  152  SER  A  152  .  ?        1  
153  1  1  A  153  SER  A  153  .  ?        3  
154  1  2  B    .  HOH  A  154  .  ?        ?  
155  1  2  B    .  HOH  A  155  .  ?        ?  
156  1  2  B    .  HOH  A  156  .  ?        ?  
157  1  2  B    .  HOH  A  157  .  ?        ?  
158  1  2  B    .  HOH  A  158  .  ?        ?  
159  1  2  B    .  HOH  A  159  .  ?        ?  
160  1  2  B    .  HOH  A  160  .  ?        ?  
161  1  2  B    .  HOH  A  161  .  ?        ?  
162  1  2  B    .  HOH  A  162  .  ?        ?  
163  1  2  B    .  HOH  A  163  .  ?        ?  
164  1  2  B    .  HOH  A  164  .  ?        ?  
165  1  2  B    .  HOH  A  165  .  ?        ?  
166  1  2  B    .  HOH  A  166  .  ?        ?  
167  1  2  B    .  HOH  A  167  .  ?        1  
168  1  2  B    .  HOH  A  168  .  ?        ?  
169  1  2  B    .  HOH  A  169  .  ?        ?  
170  1  2  B    .  HOH  A  170  .  ?        ?  
171  1  2  B    .  HOH  A  171  .  ?        ?  
172  1  2  B    .  HOH  A  172  .  ?        1  
173  1  2  B    .  HOH  A  173  .  ?        ?  
174  1  2  B    .  HOH  A  174  .  ?        ?  
175  1  2  B    .  HOH  A  175  .  ?        ?  
176  1  2  B    .  HOH  A  176  .  ?        ?  
177  1  2  B    .  HOH  A  177  .  ?        ?  
178  1  2  B    .  HOH  A  178  .  ?        ?  
179  1  2  B    .  HOH  A  179  .  ?        ?  
180  1  2  B    .  HOH  A  180  .  ?        ?  
181  1  2  B    .  HOH  A  181  .  ?        ?  
182  1  2  B    .  HOH  A  182  .  ?        ?  
183  1  2  B    .  HOH  A  183  .  ?        ?  
184  1  2  B    .  HOH  A  184  .  ?        ?  
185  1  2  B    .  HOH  A  185  .  ?        ?  
186  1  2  B    .  HOH  A  186  .  ?        ?  
187  1  2  B    .  HOH  A  187  .  ?        ?  
188  1  2  B    .  HOH  A  188  .  ?        ?  
189  1  2  B    .  HOH  A  189  .  ?        ?  
190  1  2  B    .  HOH  A  190  .  ?        ?  
191  1  2  B    .  HOH  A  191  .  ?        ?  
192  1  2  B    .  HOH  A  192  .  ?        ?  
193  1  2  B    .  HOH  A  193  .  ?        ?  
194  1  2  B    .  HOH  A  194  .  ?        ?  
195  1  2  B    .  HOH  A  195  .  ?        ?  
196  1  2  B    .  HOH  A  196  .  ?        ?  
197  1  2  B    .  HOH  A  197  .  ?        ?  
198  1  2  B    .  HOH  A  198  .  ?        ?  
199  1  2  B    .  HOH  A  199  .  ?        ?  
200  1  2  B    .  HOH  A  200  .  ?        ?  
201  1  2  B    .  HOH  A  201  .  ?        ?  
#
loop_
_pdbx_vrpt_model_instance_geometry.ordinal
_pdbx_vrpt_model_instance_geometry.instance_id
_pdbx_vrpt_model_instance_geometry.rotamer_class
_pdbx_vrpt_model_instance_geometry.phi
_pdbx_vrpt_model_instance_geometry.psi
_pdbx_vrpt_model_instance_geometry.ramachandran_class
_pdbx_vrpt_model_instance_geometry.flippable_sidechain
_pdbx_vrpt_model_instance_geometry.cis_peptide
_pdbx_vrpt_model_instance_geometry.num_H_reduce
_pdbx_vrpt_model_instance_geometry.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
  1    1  ?             ?       ?  ?           ?  ?      7   5  0.73   8  0.37  molprobity  
  2    2  Cg_exo    -53.1   -84.0  OUTLIER     ?  ?      7   8  0.18  11  0.52  molprobity  
  3    3  p        -102.7   136.7  Favored     ?  ?      9   7  0.30  10  0.47  molprobity  
  4    4  mtm180    -94.7   142.5  Favored     ?  ?     13  11  0.24  14  0.48  molprobity  
  5    5  m        -142.0   161.4  Favored     ?  ?      5   6  0.30   8  0.40  molprobity  
  6    6  pp       -146.7   149.5  Favored     ?  ?     11   8  0.24  11  0.80  molprobity  
  7    7  m-20      -92.0   143.7  Favored     1  ?      6   8  0.34  11  0.34  molprobity  
  8    8  p        -161.0   171.8  Favored     ?  ?      5   6  0.37   8  0.59  molprobity  
  9    9  p        -125.4   163.4  Favored     ?  ?      7   7  0.26  10  1.28  molprobity  
 10   10  mt       -133.8   142.8  Favored     ?  ?     11   8  0.28  11  0.55  molprobity  
 11   11  mtm-85   -134.3   141.4  Favored     ?  ?     13  11  0.25  14  0.62  molprobity  
 12   12  p30       -79.1   170.9  Favored     ?  ?      4   8  0.27  11  1.16  molprobity  
 13   13  p         -60.2   -12.1  Favored     ?  ?      5   6  0.34   8  0.42  molprobity  
 14   14  mm-40     -97.9    12.6  Favored     ?  ?      8   9  0.29  12  0.42  molprobity  
 15   15  mm-40      66.1    27.5  Favored     ?  ?      8   9  0.32  12  0.65  molprobity  
 16   16  mtmm      -89.2   143.2  Favored     ?  ?     13   9  0.27  11  0.37  molprobity  
 17   17  m         -99.2   166.2  Favored     ?  ?      5   6  0.32   8  0.27  molprobity  
 18   18  mt       -108.8   139.6  Favored     ?  ?     11   8  0.26  11  0.43  molprobity  
 19   19  m        -139.2   147.6  Favored     ?  ?      9   7  0.46  10  0.76  molprobity  
 20   20  OUTLIER   -77.9   110.2  Favored     ?  ?      9   8  0.27  10  0.33  molprobity  
 21   21  t         -67.5   -78.2  Allowed     ?  ?      5   6  0.19   8  0.41  molprobity  
 22   22  ?         -99.0  -160.5  Favored     ?  ?      3   4  0.30   6  0.97  molprobity  
 23   23  Cg_endo   -72.7   -28.5  Favored     ?  ?      7   8  0.19  11  0.54  molprobity  
 24   24  m-85     -129.6    32.7  Favored     ?  ?      9  13  0.44  18  0.35  molprobity  
 25   25  tt0      -143.1   145.6  Favored     ?  ?      6   9  0.24  12  0.50  molprobity  
 26   26  mt       -115.8   145.4  Favored     ?  ?     11   8  0.26  11  0.76  molprobity  
 27   27  mtmt     -129.0   150.1  Favored     ?  ?     13   9  0.37  11  0.39  molprobity  
 28   28  ?        -114.5   137.1  Favored     ?  ?      5   5  0.21   7  0.31  molprobity  
 29   29  OUTLIER  -160.1   160.5  Favored     ?  ?     11   8  0.21  11  0.72  molprobity  
 30   30  m80       -77.2   120.4  Favored     ?  ?      7  11  0.16  15  0.35  molprobity  
 31   31  OUTLIER  -129.4   148.9  Favored     ?  ?     11   8  0.22  11  0.80  molprobity  
 32   32  tt0      -156.9   157.6  Favored     1  ?      8   9  0.30  12  0.43  molprobity  
 33   33  ?          68.3  -132.6  Favored     ?  ?      3   4  0.22   5  0.61  molprobity  
 34   34  mp0       -58.1   -47.1  Favored     ?  ?      8   9  0.22  12  0.48  molprobity  
 35   35  m-20      -49.9   -31.6  Favored     ?  ?      4   8  0.23  11  0.50  molprobity  
 36   36  tpt       -40.7   -41.4  Allowed     ?  ?      9   8  0.23  10  0.50  molprobity  
 37   37  mm-40     -52.2   -31.4  Favored     ?  ?      6   9  0.23  12  0.47  molprobity  
 38   38  mt-30     -65.2   -27.0  Favored     ?  ?      8   9  0.31  12  0.74  molprobity  
 39   39  pt20      -55.9   141.1  Favored     ?  ?      8   9  0.28  12  0.72  molprobity  
 40   40  t         -66.6   139.0  Favored     ?  ?      9   7  0.42  10  0.81  molprobity  
 41   41  t        -108.0   131.3  Favored     ?  ?      9   7  0.34  10  0.90  molprobity  
 42   42  m95      -105.8   156.1  Favored     ?  ?     10  16  0.47  23  0.69  molprobity  
 43   43  t        -115.2   102.7  Favored     ?  ?      5   6  0.53   8  1.29  molprobity  
 44   44  ttm       -90.4   123.7  Favored     ?  ?      9   8  0.25  10  0.31  molprobity  
 45   45  m        -109.7   141.3  Favored     ?  ?      5   6  0.27   8  0.52  molprobity  
 46   46  m-85      -96.6    94.9  Favored     ?  ?      9  12  0.69  16  0.69  molprobity  
 47   47  m         -90.2  -179.2  Allowed     ?  ?      9   7  0.28  10  0.71  molprobity  
 48   48  mm100     -84.4   144.9  Favored     1  ?      8   9  0.23  12  0.43  molprobity  
 49   49  ?         162.6  -174.1  Favored     ?  ?      3   4  0.18   5  0.30  molprobity  
 50   50  tm-20     -67.9   116.6  Favored     ?  ?      6   9  0.18  12  0.47  molprobity  
 51   51  tt0      -111.7   157.9  Favored     ?  ?      6   9  0.22  12  0.62  molprobity  
 52   52  t        -154.8   175.7  Favored     ?  ?      5   6  0.28   8  0.27  molprobity  
 53   53  p-10      -64.1   -36.5  Favored     ?  ?      6   8  0.23  11  0.25  molprobity  
 54   54  p-10     -119.1    17.3  Favored     ?  ?      4   8  0.12  11  0.42  molprobity  
 55   55  ttmt     -140.1    97.3  Favored     ?  ?     13   9  0.37  11  0.44  molprobity  
 56   56  mm       -110.1   119.1  Favored     ?  ?     11   8  0.19  12  0.73  molprobity  
 57   57  Cg_endo   -71.5   131.2  Favored     ?  ?      7   8  0.22  11  0.52  molprobity  
 58   58  m        -140.5   169.2  Favored     ?  ?      9   7  0.34  10  0.92  molprobity  
 59   59  ?        -122.4   144.0  Favored     ?  ?      5   5  0.31   7  1.08  molprobity  
 60   60  mt       -123.0   118.3  Favored     ?  ?     11   8  0.32  11  0.39  molprobity  
 61   61  ?        -134.1   161.2  Favored     ?  ?      3   4  0.35   5  0.73  molprobity  
 62   62  mp        -75.7   142.5  Favored     ?  ?     11   8  0.28  11  0.57  molprobity  
 63   63  ttpt      -62.4   129.4  Favored     ?  ?     13   9  0.24  11  0.48  molprobity  
 64   64  mt-10      69.1    -1.8  Favored     ?  ?      6   9  0.21  12  0.54  molprobity  
 65   65  mttm     -117.4   137.5  Favored     ?  ?     13   9  0.36  11  0.36  molprobity  
 66   66  OUTLIER   -78.2    61.8  Favored     1  ?      6   8  0.41  11  0.48  molprobity  
 67   67  mt       -134.2   125.5  Favored     ?  ?     11   8  0.42  11  0.48  molprobity  
 68   68  m-85     -125.8   150.3  Favored     ?  ?      9  13  0.36  18  0.43  molprobity  
 69   69  mt        -76.1   124.3  Favored     ?  ?     11   8  0.28  11  0.69  molprobity  
 70   70  t        -123.5   162.4  Favored     ?  ?      5   6  0.48   8  0.67  molprobity  
 71   71  OUTLIER  -124.2   120.7  Favored     ?  ?      5   6  0.71   8  0.46  molprobity  
 72   72  m        -139.8   160.8  Favored     ?  ?      9   7  0.28  10  0.79  molprobity  
 73   73  mt        -85.0   134.0  Favored     ?  ?     11   8  0.21  11  0.81  molprobity  
 74   74  ttpp     -146.3   122.5  Favored     ?  ?     13   9  0.25  11  0.53  molprobity  
 75   75  OUTLIER    59.8    41.3  Favored     ?  ?      4   8  0.15  11  0.45  molprobity  
 76   76  m-20       58.7    33.6  Favored     ?  ?      4   8  0.16  11  0.32  molprobity  
 77   77  tttt     -147.0   132.8  Favored     ?  ?     13   9  0.22  12  0.44  molprobity  
 78   78  Cg_exo    -53.5   133.2  Favored     ?  ?      7   8  0.23  11  0.61  molprobity  
 79   79  m        -136.9   148.5  Favored     ?  ?      7   7  0.33  10  0.55  molprobity  
 80   80  tp        -94.8   146.1  Favored     ?  ?     11   8  0.20  11  0.46  molprobity  
 81   81  pt20     -159.9   158.1  Favored     ?  ?      8   9  0.25  12  0.54  molprobity  
 82   82  mm?       -97.2   126.7  Favored     ?  ?     11   8  0.28  11  0.97  molprobity  
 83   83  tt0      -119.6   137.4  Favored     ?  ?      6   9  0.37  12  0.69  molprobity  
 84   84  m         -81.2   142.4  Favored     ?  ?      5   6  0.44   8  0.61  molprobity  
 85   85  m        -136.9   163.5  Favored     ?  ?      9   7  0.32  10  0.54  molprobity  
 86   86  t0        -64.2   118.5  Favored     ?  ?      4   8  0.19  12  0.68  molprobity  
 87   87  Cg_endo   -60.9    -9.2  Favored     ?  ?      7   8  0.22  11  0.72  molprobity  
 88   88  mmpt?     -91.8   -36.4  Favored     ?  ?     13   9  0.24  11  0.46  molprobity  
 89   89  m-20      -88.6    -1.1  Favored     ?  ?      6   8  0.21  11  0.82  molprobity  
 90   90  m-85     -126.8   149.5  Favored     ?  Y      9  13  0.29  19  0.58  molprobity  
 91   91  Cg_endo   -85.6   162.9  Favored     ?  ?      7   8  0.38  11  0.59  molprobity  
 92   92  pttt     -132.9   163.3  Favored     ?  ?     13   9  0.19  11  0.31  molprobity  
 93   93  mtpp      -67.6   -33.9  Favored     ?  ?     13   9  0.29  11  0.33  molprobity  
 94   94  OUTLIER  -106.4    82.5  Allowed     ?  ?     13   9  0.27  11  0.35  molprobity  
 95   95  mmm       -79.0   153.8  Favored     ?  ?      9   8  0.23  10  0.62  molprobity  
 96   96  mp0       -65.9   148.0  Favored     ?  ?      6   9  0.30  12  0.60  molprobity  
 97   97  tptt      -48.2   -40.4  Favored     ?  ?     13   9  0.26  11  0.71  molprobity  
 98   98  ptt-85    -62.2   -18.8  Favored     ?  ?     13  11  0.21  14  0.70  molprobity  
 99   99  m-85      -95.2    -5.5  Favored     ?  ?      9  12  0.63  16  0.62  molprobity  
100  100  t         -92.1   128.4  Favored     ?  ?      9   7  0.45  10  0.87  molprobity  
101  101  m95      -122.5   133.3  Favored     ?  ?     10  16  0.49  23  0.34  molprobity  
102  102  m120      -84.8   113.8  Favored     1  ?      6   8  0.25  11  0.43  molprobity  
103  103  ttpp      -85.5   115.1  Favored     ?  ?     13   9  0.48  11  0.69  molprobity  
104  104  mt       -110.1   123.0  Favored     ?  ?     11   8  0.22  11  0.60  molprobity  
105  105  mt-10     -91.5    99.9  Favored     ?  ?      6   9  0.17  12  0.30  molprobity  
106  106  pt        -81.5  -124.5  OUTLIER     ?  ?     11   8  0.16  11  0.48  molprobity  
107  107  t30       -58.0   -96.0  OUTLIER     ?  ?      6   8  0.25  11  0.55  molprobity  
108  108  p-10     -119.9    11.8  Favored     ?  ?      6   8  0.21  11  0.69  molprobity  
109  109  mmtm     -110.7   175.1  Favored     ?  ?     13   9  0.26  11  0.59  molprobity  
110  110  mt       -122.4   150.9  Favored     ?  ?     11   8  0.36  11  0.61  molprobity  
111  111  mt-10    -133.2   144.8  Favored     ?  ?      6   9  0.36  12  0.83  molprobity  
112  112  m-85     -119.4   103.0  Favored     ?  ?      9  12  0.67  16  0.53  molprobity  
113  113  tt0       -96.4   134.2  Favored     ?  ?      6   9  0.50  12  0.43  molprobity  
114  114  t         -63.8   133.9  Favored     ?  ?      5   6  0.38   8  0.37  molprobity  
115  115  ?         -72.4   -36.5  Favored     ?  ?      5   5  0.27   7  0.66  molprobity  
116  116  tp-100    -64.8   -52.1  Favored     ?  ?      8   9  0.23  12  0.51  molprobity  
117  117  m-85     -112.4   100.4  Favored     ?  ?      9  12  0.62  17  0.41  molprobity  
118  118  Cg_exo    -55.3   135.2  Favored     ?  ?      7   8  0.25  11  0.66  molprobity  
119  119  m120       72.1    15.1  Favored     1  ?      6   8  0.27  11  0.60  molprobity  
120  120  m95      -106.9   124.8  Favored     ?  ?     10  16  0.51  23  0.64  molprobity  
121  121  m-85     -119.7   147.8  Favored     ?  ?      9  13  0.45  18  0.75  molprobity  
122  122  mt        -63.8   119.7  Favored     ?  ?     11   8  0.30  11  1.01  molprobity  
123  123  m        -129.3   165.7  Favored     ?  ?      5   6  0.39   8  0.60  molprobity  
124  124  p        -131.4   161.4  Favored     ?  ?      7   7  0.36  10  1.08  molprobity  
125  125  t         -89.6   156.6  Favored     ?  ?      5   6  0.29   8  0.38  molprobity  
126  126  mm-40     -66.0   -38.2  Favored     ?  ?      8   9  0.19  12  0.90  molprobity  
127  127  ?         -58.1   158.3  Favored     ?  ?      5   5  0.32   7  0.74  molprobity  
128  128  tp10      -85.5   147.6  Favored     ?  ?      6   9  0.31  12  0.74  molprobity  
129  129  t30        50.4    37.3  Favored     1  ?      6   8  0.23  11  0.85  molprobity  
130  130  mmm      -101.4   159.9  Favored     ?  ?      9   8  0.24  11  0.40  molprobity  
131  131  Cg_exo    -66.7   150.7  Favored     ?  ?      7   8  0.19  11  0.52  molprobity  
132  132  t         -84.5   140.3  Favored     ?  ?      9   7  0.32  10  1.12  molprobity  
133  133  p90      -143.2   177.7  Favored     ?  ?      9  12  0.66  16  0.57  molprobity  
134  134  tp        -98.4   120.3  Favored     ?  ?     11   8  0.27  11  0.67  molprobity  
135  135  ?        -121.5   144.8  Favored     ?  ?      3   4  0.21   5  0.41  molprobity  
136  136  ?        -106.5    14.2  Favored     ?  ?      3   4  0.20   5  0.30  molprobity  
137  137  p        -113.4   139.5  Favored     ?  ?      7   7  0.30  10  0.66  molprobity  
138  138  mmtt     -111.7   144.6  Favored     ?  ?     13   9  0.16  11  0.38  molprobity  
139  139  ?          60.8     9.7  Favored     ?  ?      3   4  0.18   5  0.50  molprobity  
140  140  ?         -76.8  -143.2  Allowed     ?  ?      3   4  0.25   5  0.28  molprobity  
141  141  mp0       -84.4   -20.6  Favored     ?  ?      8   9  0.23  12  0.34  molprobity  
142  142  m-20      -94.3   149.6  Favored     ?  ?      4   8  0.22  11  0.53  molprobity  
143  143  mt        -85.6   128.2  Favored     ?  ?     11   8  0.26  11  0.64  molprobity  
144  144  p        -126.3     8.8  Favored     ?  ?      7   7  0.47  10  0.58  molprobity  
145  145  m-20     -108.5   141.1  Favored     ?  ?      4   8  0.34  11  0.41  molprobity  
146  146  m95      -135.8   171.8  Favored     ?  ?     10  16  0.39  23  0.51  molprobity  
147  147  p        -137.9   149.3  Favored     ?  ?      7   7  0.29  10  1.46  molprobity  
148  148  ptp      -122.3   151.1  Favored     ?  ?      9   8  0.49  10  0.71  molprobity  
149  149  mp0      -122.3   128.8  Favored     ?  ?      8   9  0.42  12  0.48  molprobity  
150  150  m-85      -81.7   136.3  Favored     ?  ?      9  12  0.74  16  0.36  molprobity  
151  151  m        -112.6   143.2  Favored     ?  ?      9   7  0.38  10  0.62  molprobity  
152  152  p         -40.3   -15.3  OUTLIER     ?  ?      5   6  0.23   8  0.66  molprobity  
153  153  t             ?       ?  ?           ?  ?      5   6  0.65   5  0.47  molprobity  
#
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    6  HD12   1  0.51  2.30  
 2    6  HD12   2  0.49  2.12  
 3    6  C      1  0.51  2.30  
 4    6  O      2  0.49  2.12  
 5    7  HD22   3  0.67  1.60  
 6    7  HA     4  0.41  2.21  
 7   21  HB2    5  0.64  1.80  
 8   21  HB2    6  0.41  2.02  
 9   21  CB     7  0.48  2.44  
10   27  HG3    5  0.64  1.80  
11   27  HE2    7  0.48  2.44  
12   27  HE2    6  0.41  2.02  
13   29  HD13   8  1.00  1.44  
14   29  CD1    9  0.51  2.30  
15   30  N     10  0.49  2.33  
16   31  HD13   8  1.00  1.44  
17   31  HD13   9  0.51  2.30  
18   31  HG    11  0.47  1.96  
19   34  H     12  0.56  2.08  
20   34  CD    12  0.56  2.08  
21   35  HB3   11  0.47  1.96  
22   42  O      4  0.41  2.21  
23   47  HG11  13  0.43  2.01  
24   52  HB3   14  0.48  1.96  
25   55  HB3   14  0.48  1.96  
26   63  HG2   15  0.64  1.80  
27   64  HG3   15  0.64  1.80  
28   66  H     16  0.74  1.34  
29   66  H     17  0.58  2.01  
30   66  HD22  16  0.74  1.34  
31   66  HD22  18  0.69  1.90  
32   66  N     18  0.69  1.90  
33   66  N     19  0.46  2.60  
34   66  ND2   17  0.58  2.01  
35   66  ND2   19  0.46  2.60  
36   69  HD22  20  0.56  1.88  
37   70  O     21  0.40  2.21  
38   77  HE2   22  0.56  2.04  
39   80  HD11  20  0.56  1.88  
40   80  HD12  21  0.40  2.21  
41   82  HD13  23  0.45  1.88  
42   82  HA    23  0.45  1.88  
43   88  HA    24  0.80  1.62  
44   88  HE2   24  0.80  1.62  
45   94  HB2   25  0.60  2.16  
46   94  HB2   26  0.43  1.82  
47   94  NZ    25  0.60  2.16  
48   94  HZ2   26  0.43  1.82  
49   95  HG3   13  0.43  2.01  
50   97  NZ    27  0.58  2.18  
51   97  HE3   28  0.51  2.31  
52  105  HG3   29  0.58  2.04  
53  106  HD11  30  0.86  1.58  
54  106  HG13  31  0.59  2.18  
55  106  HG13  32  0.42  1.84  
56  106  CG1   33  0.42  2.33  
57  106  CG1   34  0.41  2.80  
58  106  CD1   35  0.41  2.41  
59  107  N     31  0.59  2.18  
60  107  N     34  0.41  2.80  
61  107  H     32  0.42  1.84  
62  107  H     33  0.42  2.33  
63  109  HB2   30  0.86  1.58  
64  109  HB2   35  0.41  2.41  
65  111  CD    36  0.41  2.23  
66  115  HB1   27  0.58  2.18  
67  115  C     28  0.51  2.31  
68  121  CE2   37  0.64  2.32  
69  121  CD2   38  0.60  2.36  
70  128  OE2   10  0.49  2.33  
71  138  HE2   37  0.64  2.32  
72  138  HE2   38  0.60  2.36  
73  138  HZ3   39  0.51  2.23  
74  138  HZ2   36  0.41  2.23  
75  144  CB    39  0.51  2.23  
76  151  O     40  0.48  2.46  
77  152  O     41  0.44  2.17  
78  153  HA     3  0.67  1.60  
79  153  N     40  0.48  2.46  
80  153  HB3   41  0.44  2.17  
81  167  O     29  0.58  2.04  
82  172  O     22  0.56  2.04  
#
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          2.23.2                                                                Y  
3  dcc          "2.26  (2020-01-20)"                                                  Y  
4  xtriage      1.13                                                                  Y  
5  percentiles  "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
