data_2DLI

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  2DLI
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    2DLI
_pdbx_vrpt_summary.PDB_deposition_date         1999-03-08
_pdbx_vrpt_summary.PDB_revision_number         4
_pdbx_vrpt_summary.PDB_revision_date           2023-08-23
_pdbx_vrpt_summary.report_creation_date        2023-08-16:22:40
_pdbx_vrpt_summary.attempted_validation_steps  molprobity,validation-pack,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  "PROTEIN (MHC CLASS I NK CELL RECEPTOR PRECURSOR)"  
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  2.9  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      
#
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   4.22  141614     ?     ?  
2  2  1  16.53    2172  2.90  2.90  
3  1  2   0.65  138981     ?     ?  
4  2  2   1.80    2115  2.90  2.90  
5  1  3   3.90  138945     ?     ?  
6  2  3  12.47    2117  2.90  2.90  
#
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   0.65  
2  4  2  A  1  1  A   1.80  
3  5  3  A  1  1  A   3.90  
4  6  3  A  1  1  A  12.47  
#
_pdbx_vrpt_summary_entity_geometry.ordinal          1
_pdbx_vrpt_summary_entity_geometry.PDB_model_num    1
_pdbx_vrpt_summary_entity_geometry.entity_id        1
_pdbx_vrpt_summary_entity_geometry.label_asym_id    A
_pdbx_vrpt_summary_entity_geometry.auth_asym_id     A
_pdbx_vrpt_summary_entity_geometry.angles_RMSZ      0.74
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ       0.53
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ   1566
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ  2126
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  8.25
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       13.02
_pdbx_vrpt_summary_geometry.clashscore                     28.95
_pdbx_vrpt_summary_geometry.num_H_reduce                   1450
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 1566
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.53
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                2126
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.74
#
_pdbx_vrpt_summary_diffraction.exp_method           x-ray
_pdbx_vrpt_summary_diffraction.ordinal              1
_pdbx_vrpt_summary_diffraction.PDB_resolution_high  2.90
_pdbx_vrpt_summary_diffraction.PDB_resolution_low   8.00
_pdbx_vrpt_summary_diffraction.PDB_R                0.23
_pdbx_vrpt_summary_diffraction.PDB_Rfree            0.33
#
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    2  HIS  A    5  .  ?        ?  
  2  1  1  A    3  ARG  A    6  .  ?        ?  
  3  1  1  A    4  LYS  A    7  .  ?        1  
  4  1  1  A    5  PRO  A    8  .  ?        ?  
  5  1  1  A    6  SER  A    9  .  ?        1  
  6  1  1  A    7  LEU  A   10  .  ?        ?  
  7  1  1  A    8  LEU  A   11  .  ?        2  
  8  1  1  A    9  ALA  A   12  .  ?        ?  
  9  1  1  A   10  HIS  A   13  .  ?        1  
 10  1  1  A   11  PRO  A   14  .  ?        1  
 11  1  1  A   12  GLY  A   15  .  ?        ?  
 12  1  1  A   13  ARG  A   16  .  ?        1  
 13  1  1  A   14  LEU  A   17  .  ?        1  
 14  1  1  A   15  VAL  A   18  .  ?        2  
 15  1  1  A   16  LYS  A   19  .  ?        1  
 16  1  1  A   17  SER  A   20  .  ?        ?  
 17  1  1  A   18  GLU  A   21  .  ?        ?  
 18  1  1  A   19  GLU  A   22  .  ?        1  
 19  1  1  A   20  THR  A   23  .  ?        ?  
 20  1  1  A   21  VAL  A   24  .  ?        2  
 21  1  1  A   22  ILE  A   25  .  ?        1  
 22  1  1  A   23  LEU  A   26  .  ?        2  
 23  1  1  A   24  GLN  A   27  .  ?        ?  
 24  1  1  A   25  CYS  A   28  .  ?        1  
 25  1  1  A   26  TRP  A   29  .  ?        2  
 26  1  1  A   27  SER  A   30  .  ?        2  
 27  1  1  A   28  ASP  A   31  .  ?        2  
 28  1  1  A   29  VAL  A   32  .  ?        2  
 29  1  1  A   30  ARG  A   33  .  ?        ?  
 30  1  1  A   31  PHE  A   34  .  ?        3  
 31  1  1  A   32  GLU  A   35  .  ?        ?  
 32  1  1  A   33  HIS  A   36  .  ?        ?  
 33  1  1  A   34  PHE  A   37  .  ?        1  
 34  1  1  A   35  LEU  A   38  .  ?        1  
 35  1  1  A   36  LEU  A   39  .  ?        1  
 36  1  1  A   37  HIS  A   40  .  ?        1  
 37  1  1  A   38  ARG  A   41  .  ?        5  
 38  1  1  A   39  GLU  A   42  .  ?        2  
 39  1  1  A   40  GLY  A   43  .  ?        ?  
 40  1  1  A   41  LYS  A   44  .  ?        ?  
 41  1  1  A   42  PHE  A   45  .  ?        ?  
 42  1  1  A   43  LYS  A   46  .  ?        ?  
 43  1  1  A   44  ASP  A   47  .  ?        2  
 44  1  1  A   45  THR  A   48  .  ?        1  
 45  1  1  A   46  LEU  A   49  .  ?        1  
 46  1  1  A   47  HIS  A   50  .  ?        ?  
 47  1  1  A   48  LEU  A   51  .  ?        3  
 48  1  1  A   49  ILE  A   52  .  ?        ?  
 49  1  1  A   50  GLY  A   53  .  ?        ?  
 50  1  1  A   51  GLU  A   54  .  ?        ?  
 51  1  1  A   52  HIS  A   55  .  ?        ?  
 52  1  1  A   53  HIS  A   56  .  ?        1  
 53  1  1  A   54  ASP  A   57  .  ?        ?  
 54  1  1  A   55  GLY  A   58  .  ?        ?  
 55  1  1  A   56  VAL  A   59  .  ?        5  
 56  1  1  A   57  SER  A   60  .  ?        ?  
 57  1  1  A   58  LYS  A   61  .  ?        2  
 58  1  1  A   59  ALA  A   62  .  ?        ?  
 59  1  1  A   60  ASN  A   63  .  ?        2  
 60  1  1  A   61  PHE  A   64  .  ?        2  
 61  1  1  A   62  SER  A   65  .  ?        ?  
 62  1  1  A   63  ILE  A   66  .  ?        5  
 63  1  1  A   64  GLY  A   67  .  ?        1  
 64  1  1  A   65  PRO  A   68  .  ?        ?  
 65  1  1  A   66  MET  A   69  .  ?        2  
 66  1  1  A   67  MET  A   70  .  ?        1  
 67  1  1  A   68  GLN  A   71  .  ?        2  
 68  1  1  A   69  ASP  A   72  .  ?        ?  
 69  1  1  A   70  LEU  A   73  .  ?        3  
 70  1  1  A   71  ALA  A   74  .  ?        2  
 71  1  1  A   72  GLY  A   75  .  ?        1  
 72  1  1  A   73  THR  A   76  .  ?        ?  
 73  1  1  A   74  TYR  A   77  .  ?        2  
 74  1  1  A   75  ARG  A   78  .  ?        ?  
 75  1  1  A   76  CYS  A   79  .  ?        1  
 76  1  1  A   77  TYR  A   80  .  ?        2  
 77  1  1  A   78  GLY  A   81  .  ?        1  
 78  1  1  A   79  SER  A   82  .  ?        1  
 79  1  1  A   80  VAL  A   83  .  ?        ?  
 80  1  1  A   81  THR  A   84  .  ?        1  
 81  1  1  A   82  HIS  A   85  .  ?        ?  
 82  1  1  A   83  SER  A   86  .  ?        1  
 83  1  1  A   84  PRO  A   87  .  ?        2  
 84  1  1  A   85  TYR  A   88  .  ?        8  
 85  1  1  A   86  GLN  A   89  .  ?        ?  
 86  1  1  A   87  LEU  A   90  .  ?        3  
 87  1  1  A   88  SER  A   91  .  ?        ?  
 88  1  1  A   89  ALA  A   92  .  ?        ?  
 89  1  1  A   90  PRO  A   93  .  ?        1  
 90  1  1  A   91  SER  A   94  .  ?        1  
 91  1  1  A   92  ASP  A   95  .  ?        ?  
 92  1  1  A   93  PRO  A   96  .  ?        ?  
 93  1  1  A   94  LEU  A   97  .  ?        ?  
 94  1  1  A   95  ASP  A   98  .  ?        ?  
 95  1  1  A   96  ILE  A   99  .  ?        2  
 96  1  1  A   97  VAL  A  100  .  ?        ?  
 97  1  1  A   98  ILE  A  101  .  ?        6  
 98  1  1  A   99  THR  A  102  .  ?        1  
 99  1  1  A  100  GLY  A  103  .  ?        1  
100  1  1  A  101  LEU  A  104  .  ?        ?  
101  1  1  A  102  TYR  A  105  .  ?        3  
102  1  1  A  103  GLU  A  106  .  ?        ?  
103  1  1  A  104  LYS  A  107  .  ?        1  
104  1  1  A  105  PRO  A  108  .  ?        1  
105  1  1  A  106  SER  A  109  .  ?        ?  
106  1  1  A  107  LEU  A  110  .  ?        1  
107  1  1  A  108  SER  A  111  .  ?        ?  
108  1  1  A  109  ALA  A  112  .  ?        ?  
109  1  1  A  110  GLN  A  113  .  ?        1  
110  1  1  A  111  PRO  A  114  .  ?        2  
111  1  1  A  112  GLY  A  115  .  ?        ?  
112  1  1  A  113  PRO  A  116  .  ?        ?  
113  1  1  A  114  THR  A  117  .  ?        ?  
114  1  1  A  115  VAL  A  118  .  ?        ?  
115  1  1  A  116  LEU  A  119  .  ?        ?  
116  1  1  A  117  ALA  A  120  .  ?        ?  
117  1  1  A  118  GLY  A  121  .  ?        ?  
118  1  1  A  119  GLU  A  122  .  ?        ?  
119  1  1  A  120  SER  A  123  .  ?        ?  
120  1  1  A  121  VAL  A  124  .  ?        1  
121  1  1  A  122  THR  A  125  .  ?        ?  
122  1  1  A  123  LEU  A  126  .  ?        5  
123  1  1  A  124  SER  A  127  .  ?        ?  
124  1  1  A  125  CYS  A  128  .  ?        1  
125  1  1  A  126  SER  A  129  .  ?        2  
126  1  1  A  127  SER  A  130  .  ?        1  
127  1  1  A  128  ARG  A  131  .  ?        ?  
128  1  1  A  129  SER  A  132  .  ?        ?  
129  1  1  A  130  SER  A  133  .  ?        ?  
130  1  1  A  131  TYR  A  134  .  ?        ?  
131  1  1  A  132  ASP  A  135  .  ?        ?  
132  1  1  A  133  MET  A  136  .  ?        1  
133  1  1  A  134  TYR  A  137  .  ?        ?  
134  1  1  A  135  HIS  A  138  .  ?        1  
135  1  1  A  136  LEU  A  139  .  ?        2  
136  1  1  A  137  SER  A  140  .  ?        ?  
137  1  1  A  138  ARG  A  141  .  ?        2  
138  1  1  A  139  GLU  A  142  .  ?        ?  
139  1  1  A  140  GLY  A  143  .  ?        ?  
140  1  1  A  141  GLU  A  144  .  ?        ?  
141  1  1  A  142  ALA  A  145  .  ?        ?  
142  1  1  A  143  HIS  A  146  .  ?        ?  
143  1  1  A  144  GLU  A  147  .  ?        ?  
144  1  1  A  145  CYS  A  148  .  ?        ?  
145  1  1  A  146  ARG  A  149  .  ?        2  
146  1  1  A  147  PHE  A  150  .  ?        4  
147  1  1  A  148  SER  A  151  .  ?        3  
148  1  1  A  149  ALA  A  152  .  ?        ?  
149  1  1  A  150  GLY  A  153  .  ?        ?  
150  1  1  A  151  PRO  A  154  .  ?        ?  
151  1  1  A  152  LYS  A  155  .  ?        1  
152  1  1  A  153  VAL  A  156  .  ?        ?  
153  1  1  A  154  ASN  A  157  .  ?        ?  
154  1  1  A  155  GLY  A  158  .  ?        ?  
155  1  1  A  156  THR  A  159  .  ?        2  
156  1  1  A  157  PHE  A  160  .  ?        ?  
157  1  1  A  158  GLN  A  161  .  ?        1  
158  1  1  A  159  ALA  A  162  .  ?        ?  
159  1  1  A  160  ASP  A  163  .  ?        ?  
160  1  1  A  161  PHE  A  164  .  ?        ?  
161  1  1  A  162  PRO  A  165  .  ?        ?  
162  1  1  A  163  LEU  A  166  .  ?        2  
163  1  1  A  164  GLY  A  167  .  ?        ?  
164  1  1  A  165  PRO  A  168  .  ?        1  
165  1  1  A  166  ALA  A  169  .  ?        ?  
166  1  1  A  167  THR  A  170  .  ?        1  
167  1  1  A  168  HIS  A  171  .  ?        ?  
168  1  1  A  169  GLY  A  172  .  ?        ?  
169  1  1  A  170  GLY  A  173  .  ?        ?  
170  1  1  A  171  THR  A  174  .  ?        2  
171  1  1  A  172  TYR  A  175  .  ?        3  
172  1  1  A  173  ARG  A  176  .  ?        2  
173  1  1  A  174  CYS  A  177  .  ?        1  
174  1  1  A  175  PHE  A  178  .  ?        ?  
175  1  1  A  176  GLY  A  179  .  ?        ?  
176  1  1  A  177  SER  A  180  .  ?        ?  
177  1  1  A  178  PHE  A  181  .  ?        1  
178  1  1  A  179  ARG  A  182  .  ?        ?  
179  1  1  A  180  ASP  A  183  .  ?        1  
180  1  1  A  181  SER  A  184  .  ?        ?  
181  1  1  A  182  PRO  A  185  .  ?        1  
182  1  1  A  183  TYR  A  186  .  ?        1  
183  1  1  A  184  GLU  A  187  .  ?        1  
184  1  1  A  185  TRP  A  188  .  ?        ?  
185  1  1  A  186  SER  A  189  .  ?        1  
186  1  1  A  187  ASN  A  190  .  ?        2  
187  1  1  A  188  SER  A  191  .  ?        ?  
188  1  1  A  189  SER  A  192  .  ?        ?  
189  1  1  A  190  ASP  A  193  .  ?        ?  
190  1  1  A  191  PRO  A  194  .  ?        1  
191  1  1  A  192  LEU  A  195  .  ?        2  
192  1  1  A  193  LEU  A  196  .  ?        ?  
193  1  1  A  194  VAL  A  197  .  ?        ?  
194  1  1  A  195  SER  A  198  .  ?        ?  
195  1  1  A  196  VAL  A  199  .  ?        ?  
196  1  1  A  197  ILE  A  200  .  ?        ?  
197  1  2  B    .  HOH  A  308  .  ?        ?  
198  1  2  B    .  HOH  A  338  .  ?        ?  
199  1  2  B    .  HOH  A  339  .  ?        ?  
200  1  2  B    .  HOH  A  340  .  ?        ?  
201  1  2  B    .  HOH  A  345  .  ?        ?  
202  1  2  B    .  HOH  A  346  .  ?        ?  
203  1  2  B    .  HOH  A  349  .  ?        1  
204  1  2  B    .  HOH  A  355  .  ?        ?  
205  1  2  B    .  HOH  A  361  .  ?        ?  
206  1  2  B    .  HOH  A  366  .  ?        ?  
#
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.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  m80           ?       ?  ?           ?   6  11  0.58  15  0.77  molprobity  
  2    2  ttp85      90.3   114.8  OUTLIER     ?  13  11  0.48  14  0.88  molprobity  
  3    3  OUTLIER   -55.5   125.0  Favored     ?  13   9  0.34  12  1.01  molprobity  
  4    4  Cg_endo   -81.8   176.5  Favored     ?   7   8  0.39  11  0.61  molprobity  
  5    5  m         -98.0   137.0  Favored     ?   5   6  0.31   8  0.58  molprobity  
  6    6  tp       -127.1   106.0  Favored     ?  11   8  0.24  11  0.49  molprobity  
  7    7  OUTLIER  -136.8   176.9  Favored     ?  11   8  0.37  11  0.75  molprobity  
  8    8  ?        -136.4    94.2  Favored     ?   5   5  0.44   7  0.76  molprobity  
  9    9  m170      -17.9   -58.0  OUTLIER     ?   7  11  0.42  16  0.80  molprobity  
 10   10  Cg_exo    -70.5   -68.7  OUTLIER     ?   7   8  0.32  11  0.94  molprobity  
 11   11  ?         177.6   178.7  Favored     ?   3   4  0.32   5  0.72  molprobity  
 12   12  mtp180    -68.3   -51.5  Favored     ?  13  11  0.40  14  0.88  molprobity  
 13   13  mt        -79.3   128.3  Favored     ?  11   8  0.24  11  0.74  molprobity  
 14   14  t        -119.0   126.8  Favored     ?   9   7  0.96  10  1.20  molprobity  
 15   15  mttt      -69.7   149.1  Favored     ?  13   9  0.60  11  0.50  molprobity  
 16   16  t         -42.6   130.6  Favored     ?   5   6  0.38   8  0.88  molprobity  
 17   17  mt-10      68.8    -8.2  Allowed     ?   6   9  0.29  12  0.71  molprobity  
 18   18  mt-10     -73.9  -172.1  Allowed     ?   6   9  0.45  12  0.61  molprobity  
 19   19  p        -139.0   150.6  Favored     ?   7   7  0.30  10  0.74  molprobity  
 20   20  OUTLIER  -131.0   155.5  Favored     ?   9   7  0.43  10  1.12  molprobity  
 21   21  mt       -105.4   126.8  Favored     ?  11   8  0.38  11  0.65  molprobity  
 22   22  mt       -110.6    92.1  Favored     ?  11   8  0.31  11  0.88  molprobity  
 23   23  tt0       -81.8   136.0  Favored     1   8   9  0.28  12  0.62  molprobity  
 24   24  m        -118.9   108.3  Favored     ?   4   6  0.14   8  0.69  molprobity  
 25   25  p-90     -116.3   157.2  Favored     ?  10  16  0.66  23  0.47  molprobity  
 26   26  t        -173.5   136.9  Allowed     ?   5   6  0.42   8  0.78  molprobity  
 27   27  OUTLIER   -61.8   -37.5  Favored     ?   4   8  0.25  11  0.44  molprobity  
 28   28  t         -64.8    99.2  Allowed     ?   9   7  0.39  10  0.82  molprobity  
 29   29  ttm180    -45.6    67.2  OUTLIER     ?  13  11  0.59  14  1.09  molprobity  
 30   30  m-85      -72.1  -171.4  Allowed     ?   9  12  0.67  16  0.48  molprobity  
 31   31  mt-10    -143.4   -20.9  Allowed     ?   6   9  0.40  12  0.61  molprobity  
 32   32  m80      -140.4   138.1  Favored     ?   7  11  0.22  15  0.50  molprobity  
 33   33  m-85     -121.4   153.6  Favored     ?   9  12  0.72  16  0.68  molprobity  
 34   34  mt       -131.8   132.5  Favored     ?  11   8  0.32  11  0.61  molprobity  
 35   35  tp       -109.0   138.4  Favored     ?  11   8  0.28  11  0.61  molprobity  
 36   36  t-80     -136.5   131.5  Favored     1   7  11  0.18  15  0.71  molprobity  
 37   37  ttp-105  -115.9   163.6  Favored     ?  13  11  0.57  14  0.76  molprobity  
 38   38  OUTLIER  -122.8  -148.2  Allowed     ?   6   9  0.43  12  0.54  molprobity  
 39   39  ?          84.5  -134.6  Favored     ?   3   4  0.14   5  0.44  molprobity  
 40   40  mttp      -78.6   -75.7  Allowed     ?  13   9  0.18  11  0.46  molprobity  
 41   41  t80       -81.6    86.1  Favored     ?   9  12  1.05  16  0.98  molprobity  
 42   42  mptt      -66.5   125.7  Favored     ?  13   9  0.58  11  0.97  molprobity  
 43   43  t70      -148.7   157.2  Favored     ?   4   8  0.22  11  0.64  molprobity  
 44   44  m        -126.3   138.6  Favored     ?   7   7  0.63  10  0.78  molprobity  
 45   45  mt       -111.6   123.5  Favored     ?  11   8  0.35  11  0.75  molprobity  
 46   46  m80      -102.6    98.6  Favored     ?   7  11  0.60  15  0.42  molprobity  
 47   47  tp       -124.4   133.8  Favored     ?  11   8  0.68  11  1.37  molprobity  
 48   48  mt        -68.6   106.1  Allowed     ?  11   8  0.58  11  0.72  molprobity  
 49   49  ?         -69.3   117.3  Favored     ?   3   4  0.28   5  0.69  molprobity  
 50   50  OUTLIER   -78.4  -174.1  Favored     ?   6   9  0.35  12  0.57  molprobity  
 51   51  m80      -134.8    61.3  Allowed     ?   7  11  0.26  15  0.36  molprobity  
 52   52  m-70      -62.7    73.4  OUTLIER     ?   7  11  0.37  15  0.50  molprobity  
 53   53  t70        62.4   122.2  OUTLIER     ?   4   8  0.53  11  0.72  molprobity  
 54   54  ?          65.3   -93.3  Allowed     ?   3   4  0.28   5  0.77  molprobity  
 55   55  t         -73.2   142.0  Favored     ?   9   7  0.22  10  0.79  molprobity  
 56   56  t         -84.2   134.9  Favored     ?   5   6  0.23   8  0.19  molprobity  
 57   57  ptmt     -142.7   163.4  Favored     ?  13   9  0.59  11  0.79  molprobity  
 58   58  ?        -138.0   150.7  Favored     ?   5   5  0.44   7  0.63  molprobity  
 59   59  OUTLIER  -131.1    89.7  Favored     ?   6   8  0.54  11  0.67  molprobity  
 60   60  m-85      -83.2   137.1  Favored     ?   9  12  0.64  16  0.50  molprobity  
 61   61  OUTLIER  -111.0   101.1  Favored     ?   5   6  0.62   8  0.54  molprobity  
 62   62  mp        -76.2    87.9  Allowed     ?  11   8  0.74  11  1.00  molprobity  
 63   63  ?         -52.1  -151.0  OUTLIER     ?   3   4  0.69   6  1.04  molprobity  
 64   64  Cg_endo   -40.7    95.2  OUTLIER     ?   7   8  0.42  11  0.78  molprobity  
 65   65  tpt       -53.6   138.0  Favored     ?   9   8  0.64  10  0.59  molprobity  
 66   66  ttm      -152.4   166.0  Favored     ?   9   8  0.79  10  0.74  molprobity  
 67   67  mt-30     -43.2   -41.0  Favored     ?   8   9  0.39  12  0.72  molprobity  
 68   68  m-20      -66.2   -41.0  Favored     ?   4   8  0.40  11  0.64  molprobity  
 69   69  OUTLIER   -63.7   -34.3  Favored     ?  11   8  0.47  11  1.46  molprobity  
 70   70  ?         -70.3   131.0  Favored     ?   5   5  0.46   7  0.59  molprobity  
 71   71  ?         169.4  -158.0  Favored     ?   3   4  0.23   5  0.45  molprobity  
 72   72  m         -95.7   111.8  Favored     ?   7   7  0.31  10  0.60  molprobity  
 73   73  m-85      -95.3   141.1  Favored     ?   9  13  0.36  18  0.67  molprobity  
 74   74  mtt180   -141.0   138.8  Favored     ?  13  11  0.66  14  0.69  molprobity  
 75   75  t        -108.8   146.6  Favored     ?   4   6  0.47   8  0.56  molprobity  
 76   76  m-85     -138.2   168.9  Favored     ?   9  13  0.38  18  0.55  molprobity  
 77   77  ?        -166.1   171.7  Favored     ?   3   4  0.38   5  0.45  molprobity  
 78   78  p        -179.0  -167.7  Allowed     ?   5   6  0.61   8  1.15  molprobity  
 79   79  m        -125.3   135.3  Favored     ?   9   7  0.80  10  0.56  molprobity  
 80   80  p         -83.5    22.0  Allowed     ?   7   7  0.55  10  1.47  molprobity  
 81   81  p-80      -73.4   -10.6  Favored     ?   7  11  0.54  15  1.47  molprobity  
 82   82  p        -147.9   106.2  Favored     ?   5   6  0.86   9  1.12  molprobity  
 83   83  Cg_endo   -60.1   -61.9  Allowed     ?   7   8  0.36  11  0.94  molprobity  
 84   84  OUTLIER   -44.8   -52.7  Favored     ?   9  13  0.81  18  1.33  molprobity  
 85   85  mp0       -26.6   132.0  OUTLIER     ?   8   9  0.35  12  0.78  molprobity  
 86   86  mt       -139.4   136.6  Favored     ?  11   8  0.43  11  0.74  molprobity  
 87   87  OUTLIER   -63.2   171.7  Favored     ?   5   6  0.45   8  0.48  molprobity  
 88   88  ?         -64.9   150.8  Favored     ?   5   5  0.38   8  0.47  molprobity  
 89   89  Cg_endo   -50.8   145.3  Favored     ?   7   8  0.41  11  0.61  molprobity  
 90   90  t        -101.1   168.9  Favored     ?   5   6  0.38   8  0.35  molprobity  
 91   91  OUTLIER   -61.1   126.6  Favored     ?   4   8  0.45  12  0.76  molprobity  
 92   92  Cg_endo   -64.1   134.4  Favored     ?   7   8  0.31  11  0.63  molprobity  
 93   93  tp       -136.9   113.0  Favored     ?  11   8  0.26  11  0.71  molprobity  
 94   94  m-20      -83.5   117.3  Favored     ?   4   8  0.34  11  0.77  molprobity  
 95   95  mm        -90.8   119.5  Favored     ?  11   8  0.43  11  0.65  molprobity  
 96   96  t        -105.7   148.4  Favored     ?   9   7  0.75  10  0.90  molprobity  
 97   97  OUTLIER  -104.8    95.6  Favored     ?  11   8  0.50  11  1.40  molprobity  
 98   98  p         -82.9   143.6  Favored     ?   7   7  0.40  10  0.77  molprobity  
 99   99  ?          92.5    99.5  Allowed     ?   3   4  0.43   5  1.50  molprobity  
100  100  OUTLIER  -178.7     1.1  OUTLIER     ?  11   8  0.29  11  0.59  molprobity  
101  101  m-85     -159.5   174.5  Favored     ?   9  13  0.69  18  0.47  molprobity  
102  102  OUTLIER   -66.8   137.3  Favored     ?   6   9  0.35  12  0.42  molprobity  
103  103  ptpt      -67.8   134.4  Favored     ?  13   9  0.99  12  1.00  molprobity  
104  104  Cg_exo    -70.6  -179.5  Favored     ?   7   8  0.41  11  0.54  molprobity  
105  105  m        -117.4    86.9  Favored     ?   5   6  0.45   8  0.23  molprobity  
106  106  tp        -78.5   138.0  Favored     ?  11   8  0.26  11  0.53  molprobity  
107  107  p        -161.9   160.1  Favored     ?   5   6  0.31   8  0.57  molprobity  
108  108  ?        -108.3   118.8  Favored     ?   5   5  0.14   7  0.26  molprobity  
109  109  OUTLIER   -60.6   -46.7  Favored     ?   8   9  0.73  13  0.57  molprobity  
110  110  Cg_endo   -72.1   -21.9  Favored     ?   7   8  0.29  11  0.47  molprobity  
111  111  ?         124.9   143.9  Favored     ?   3   4  0.29   6  0.81  molprobity  
112  112  Cg_endo   -61.5   -27.9  Favored     ?   7   8  0.25  11  0.62  molprobity  
113  113  m        -112.9   108.8  Favored     ?   7   7  0.37  10  0.73  molprobity  
114  114  m        -132.7   140.2  Favored     ?   9   7  0.36  10  0.71  molprobity  
115  115  mt        -53.8   149.8  Favored     ?  11   8  0.51  11  0.96  molprobity  
116  116  ?         -63.8   160.4  Favored     ?   5   5  0.49   7  0.44  molprobity  
117  117  ?          68.4     4.7  Favored     ?   3   4  0.16   5  0.62  molprobity  
118  118  tt0      -108.5   107.6  Favored     ?   6   9  0.43  12  0.80  molprobity  
119  119  p         -48.8   121.0  Favored     ?   5   6  0.25   8  0.81  molprobity  
120  120  p        -106.1   153.8  Favored     ?   9   7  0.61  10  0.47  molprobity  
121  121  t        -152.5   137.8  Favored     ?   7   7  0.75  10  0.44  molprobity  
122  122  OUTLIER  -121.8   129.6  Favored     ?  11   8  0.46  11  0.60  molprobity  
123  123  m        -110.5   156.3  Favored     ?   5   6  0.34   8  0.68  molprobity  
124  124  m        -121.1   107.2  Favored     ?   4   6  0.67   8  1.07  molprobity  
125  125  p         -99.3  -179.0  Favored     ?   5   6  0.84   8  0.89  molprobity  
126  126  t         165.3   157.2  OUTLIER     ?   5   6  0.38   8  0.70  molprobity  
127  127  mmm-85    -87.7   -15.1  Favored     ?  13  11  0.29  14  0.49  molprobity  
128  128  p         -86.7   150.4  Favored     ?   5   6  0.33   8  0.42  molprobity  
129  129  t         -70.1    48.7  Allowed     ?   5   6  0.47   8  1.09  molprobity  
130  130  m-85      -60.8   130.3  Favored     ?   9  13  0.40  18  0.58  molprobity  
131  131  m-20      -82.3   -16.5  Favored     ?   4   8  0.43  11  0.65  molprobity  
132  132  OUTLIER  -162.8   151.4  Favored     ?   9   8  0.69  10  0.84  molprobity  
133  133  m-85     -115.5   155.3  Favored     ?   9  13  0.46  18  0.21  molprobity  
134  134  m-70     -126.7   149.1  Favored     ?   7  11  0.21  15  0.36  molprobity  
135  135  tp       -124.7   107.2  Favored     ?  11   8  0.33  11  0.57  molprobity  
136  136  t         -90.0   128.0  Favored     ?   5   6  0.50   8  0.54  molprobity  
137  137  ttt85    -102.1     6.9  Favored     ?  13  11  0.58  14  0.73  molprobity  
138  138  mt-10      51.0   103.8  OUTLIER     ?   6   9  0.76  12  0.71  molprobity  
139  139  ?         135.1   -63.6  Allowed     ?   3   4  0.31   5  0.77  molprobity  
140  140  mt-10     -55.6   148.7  Favored     ?   6   9  0.88  12  0.46  molprobity  
141  141  ?         -69.6   -50.0  Favored     ?   5   5  0.47   7  0.78  molprobity  
142  142  m80      -111.1   117.5  Favored     ?   7  11  0.33  15  0.59  molprobity  
143  143  mm-40     -90.1   177.3  Favored     ?   6   9  1.59  12  0.92  molprobity  
144  144  m         -99.1   170.4  Favored     ?   5   6  1.38   8  0.85  molprobity  
145  145  tmm_?    -172.0   140.9  Allowed     ?  13  11  0.61  14  0.74  molprobity  
146  146  OUTLIER  -149.5   137.7  Favored     ?   9  12  1.04  16  0.87  molprobity  
147  147  OUTLIER   -57.4   164.2  Allowed     ?   5   6  0.41   8  0.76  molprobity  
148  148  ?        -106.8   164.4  Favored     ?   5   5  0.49   7  1.18  molprobity  
149  149  ?         -88.2   141.7  Favored     ?   3   4  0.54   6  1.11  molprobity  
150  150  Cg_exo    -52.5   170.4  Allowed     ?   7   8  0.29  11  0.69  molprobity  
151  151  ttpm?     -58.9   122.7  Favored     ?  13   9  0.66  11  0.81  molprobity  
152  152  m         -91.3   -21.5  Favored     ?   9   7  0.47  10  0.76  molprobity  
153  153  p-10     -166.8   -38.4  OUTLIER     ?   6   8  0.59  11  0.61  molprobity  
154  154  ?        -169.1   -13.2  OUTLIER     ?   3   4  0.19   5  0.81  molprobity  
155  155  t        -100.6   161.5  Favored     ?   7   7  0.61  10  1.43  molprobity  
156  156  m-85     -131.0   118.1  Favored     ?   9  12  0.69  16  0.47  molprobity  
157  157  pt20     -137.1   170.1  Favored     ?   8   9  0.60  12  1.30  molprobity  
158  158  ?        -146.8   121.3  Favored     ?   5   5  0.33   7  0.44  molprobity  
159  159  m-20      -89.5   128.5  Favored     ?   4   8  0.41  11  0.46  molprobity  
160  160  m-85     -111.6    82.2  Favored     ?   9  12  0.94  17  0.67  molprobity  
161  161  Cg_endo   -64.5   117.0  Favored     ?   7   8  0.46  11  0.60  molprobity  
162  162  mt        -88.1   -31.7  Favored     ?  11   8  0.20  11  0.82  molprobity  
163  163  ?          94.7  -166.3  Favored     ?   3   4  0.37   6  0.84  molprobity  
164  164  Cg_exo    -44.3    99.8  OUTLIER     ?   7   8  0.18  11  0.64  molprobity  
165  165  ?         -43.4   111.9  Allowed     ?   5   5  0.41   7  0.38  molprobity  
166  166  p        -113.3   -74.9  Allowed     ?   7   7  0.50  10  0.70  molprobity  
167  167  OUTLIER  -129.1    73.2  Allowed     ?   7  11  0.15  15  0.60  molprobity  
168  168  ?         -53.3  -168.9  OUTLIER     ?   3   4  0.36   5  1.05  molprobity  
169  169  ?        -179.1  -129.9  Allowed     ?   3   4  0.42   5  0.37  molprobity  
170  170  m        -138.7   116.8  Favored     ?   7   7  0.33  10  0.66  molprobity  
171  171  m-85     -103.3   162.0  Favored     ?   9  13  0.63  18  0.54  molprobity  
172  172  mtt85    -138.4   159.5  Favored     ?  13  11  0.28  14  0.75  molprobity  
173  173  t        -139.1   135.5  Favored     ?   4   6  0.28   8  0.64  molprobity  
174  174  m-85     -123.0   171.6  Favored     ?   9  12  0.64  16  0.34  molprobity  
175  175  ?        -139.1   152.8  Favored     ?   3   4  0.21   5  0.53  molprobity  
176  176  p        -157.5   169.4  Favored     ?   5   6  0.41   8  0.62  molprobity  
177  177  m-85     -109.9   158.2  Favored     ?   9  12  0.89  16  0.53  molprobity  
178  178  mtt180    -59.7   -26.7  Favored     ?  13  11  0.65  14  0.62  molprobity  
179  179  m-20      -68.0   -72.2  Allowed     ?   4   8  0.37  11  0.69  molprobity  
180  180  p         -93.2    82.6  Allowed     ?   5   6  0.69   9  0.59  molprobity  
181  181  Cg_endo   -64.1    -2.6  Favored     ?   7   8  0.25  11  0.89  molprobity  
182  182  m-85     -115.4   -11.1  Favored     ?   9  13  0.47  18  0.50  molprobity  
183  183  mt-10     -97.2   104.5  Favored     ?   6   9  0.44  12  0.75  molprobity  
184  184  m0        -92.3  -162.9  Allowed     ?  10  16  0.64  23  0.40  molprobity  
185  185  p        -105.4   178.1  Favored     ?   5   6  0.35   8  0.86  molprobity  
186  186  m-20      -68.9   148.2  Favored     ?   6   8  0.44  11  0.93  molprobity  
187  187  t         -69.1   136.4  Favored     ?   5   6  0.35   8  0.53  molprobity  
188  188  p         -71.6   163.1  Favored     ?   5   6  0.24   8  0.51  molprobity  
189  189  m-20      -62.2   134.3  Favored     ?   4   8  0.29  12  0.69  molprobity  
190  190  Cg_endo   -54.7   146.5  Favored     ?   7   8  0.25  11  0.47  molprobity  
191  191  tp       -142.4   133.2  Favored     ?  11   8  0.28  11  0.66  molprobity  
192  192  tp       -100.2   108.2  Favored     ?  11   8  0.38  11  0.81  molprobity  
193  193  t         -89.6   117.7  Favored     ?   9   7  0.85  10  1.20  molprobity  
194  194  m         -97.1   150.1  Favored     ?   5   6  0.35   8  0.72  molprobity  
195  195  t        -133.2   102.5  Favored     ?   9   7  0.39  10  0.54  molprobity  
196  196  OUTLIER       ?       ?  ?           ?  11   7  0.30   8  0.74  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    3  HB3    1  0.71  1.90  
  2    5  HB2    2  0.53  2.22  
  3    7  HD23   3  0.54  2.23  
  4    7  N      3  0.54  2.23  
  5    9  HB2    4  0.51  1.93  
  6   10  HD3    4  0.51  1.93  
  7   12  NH1    5  0.50  2.44  
  8   13  HB3    6  0.43  2.49  
  9   14  HG22   7  0.52  1.91  
 10   14  HG22   8  0.51  2.40  
 11   15  HB2    9  0.55  2.07  
 12   18  OE1    9  0.55  2.07  
 13   20  HG13   7  0.52  1.91  
 14   20  CG1    8  0.51  2.40  
 15   21  HD13  10  0.57  2.20  
 16   22  HD21  11  0.68  1.75  
 17   22  HD12  12  0.52  1.92  
 18   24  O     13  0.50  2.12  
 19   25  HE3   14  0.58  1.68  
 20   25  NE1    2  0.53  2.22  
 21   26  C     15  0.47  2.34  
 22   26  O     16  0.40  2.19  
 23   27  HA    17  0.75  1.69  
 24   27  CA    18  0.51  2.39  
 25   28  O     19  0.46  2.67  
 26   28  O     20  0.46  2.49  
 27   30  CD2   19  0.46  2.67  
 28   30  N     20  0.46  2.49  
 29   30  HD1   21  0.40  1.85  
 30   33  HA    22  0.41  2.03  
 31   34  HD12  23  1.05  1.35  
 32   35  HB3   24  0.42  2.02  
 33   36  HD2   25  0.47  1.96  
 34   37  NH2   26  0.58  2.18  
 35   37  HH21  27  0.55  1.72  
 36   37  NH1   28  0.54  2.40  
 37   37  CG    29  0.46  2.79  
 38   37  HG2   30  0.46  2.31  
 39   38  N     29  0.46  2.79  
 40   38  N     30  0.46  2.31  
 41   43  HB3   26  0.58  2.18  
 42   43  HB3   27  0.55  1.72  
 43   44  OG1   25  0.47  1.96  
 44   45  HB2   24  0.42  2.02  
 45   47  HB3   31  0.75  2.22  
 46   47  HB3   32  0.60  2.36  
 47   47  HD21  33  0.49  1.77  
 48   52  HB2   34  0.68  1.76  
 49   55  HG22  17  0.75  1.69  
 50   55  HG22  18  0.51  2.39  
 51   55  HG11  14  0.58  1.68  
 52   55  HG13  15  0.47  2.34  
 53   55  HG13  16  0.40  2.19  
 54   57  HD3   34  0.68  1.76  
 55   57  HA    13  0.50  2.12  
 56   59  ND2   10  0.57  2.20  
 57   59  H     33  0.49  1.77  
 58   60  CE2   31  0.75  2.22  
 59   60  CZ    32  0.60  2.36  
 60   62  HG23  35  0.60  2.31  
 61   62  HG23  36  0.60  1.82  
 62   62  HG22  37  0.53  2.08  
 63   62  O     37  0.53  2.08  
 64   62  HD13  12  0.52  1.92  
 65   63  O     38  0.45  2.50  
 66   65  N     38  0.45  2.50  
 67   65  HG3   39  0.40  2.02  
 68   66  H     40  0.40  1.85  
 69   67  HA    41  0.61  1.82  
 70   67  HA    42  0.56  2.35  
 71   69  CD1   35  0.60  2.31  
 72   69  HD12  36  0.60  1.82  
 73   69  HG    40  0.40  1.85  
 74   70  HB2   43  0.55  1.88  
 75   70  CB    44  0.43  2.48  
 76   71  HA2   45  0.55  2.41  
 77   73  OH    28  0.54  2.40  
 78   73  CD1   46  0.49  2.48  
 79   75  O     47  0.48  2.13  
 80   76  HB3   48  0.72  1.70  
 81   76  CB    49  0.53  2.36  
 82   77  HA2   22  0.41  2.03  
 83   78  HA    21  0.40  1.85  
 84   80  C     50  0.41  2.72  
 85   82  N     50  0.41  2.72  
 86   83  HG2   51  0.46  2.50  
 87   83  HG2   52  0.40  1.85  
 88   84  H     53  0.59  1.50  
 89   84  HD1   53  0.59  1.50  
 90   84  HD1   54  0.46  2.13  
 91   84  HD1   52  0.40  1.85  
 92   84  N     55  0.47  2.82  
 93   84  N     54  0.46  2.13  
 94   84  CD1   55  0.47  2.82  
 95   84  CD1   51  0.46  2.50  
 96   86  HD21  23  1.05  1.35  
 97   86  HD22  48  0.72  1.70  
 98   86  HD22  49  0.53  2.36  
 99   89  O      1  0.71  1.90  
100   90  HB3   47  0.48  2.13  
101   95  HD11  11  0.68  1.75  
102   95  HG12  46  0.49  2.48  
103   97  HD11  56  0.61  1.81  
104   97  HD13  41  0.61  1.82  
105   97  CD1   42  0.56  2.35  
106   97  HG12  43  0.55  1.88  
107   97  HG12  44  0.43  2.48  
108   97  HG23  39  0.40  2.02  
109   98  CG2    6  0.43  2.49  
110   99  HA2   57  0.54  1.88  
111  101  O     58  0.54  2.06  
112  101  CE2   59  0.53  2.26  
113  101  HB2   60  0.45  1.98  
114  103  HA    61  0.42  1.82  
115  104  HD3   61  0.42  1.82  
116  106  HD11  62  0.60  1.84  
117  109  N     63  0.48  2.29  
118  110  HG3   64  0.66  1.78  
119  110  HD2   63  0.48  2.29  
120  120  HA    64  0.66  1.78  
121  122  HD21  65  0.93  1.51  
122  122  HD21  66  0.73  2.18  
123  122  HB2   62  0.60  1.84  
124  122  HD23  67  0.47  2.30  
125  122  N     67  0.47  2.30  
126  124  O     68  0.56  2.06  
127  125  HB2   69  0.53  2.07  
128  125  O     70  0.45  2.17  
129  126  HB2   70  0.45  2.17  
130  132  HG3   71  0.57  1.87  
131  134  O     72  0.44  2.18  
132  135  HD12  73  0.52  2.08  
133  135  HD11  74  0.50  1.93  
134  137  HG2   75  0.42  2.19  
135  137  O     75  0.42  2.19  
136  145  HD3   71  0.57  1.87  
137  145  HD2   76  0.55  2.20  
138  146  HD1   77  0.69  1.89  
139  146  HD1   78  0.62  1.44  
140  146  CD1   79  0.61  2.68  
141  146  N     76  0.55  2.20  
142  147  N     77  0.69  1.89  
143  147  N     79  0.61  2.68  
144  147  H     78  0.62  1.44  
145  151  HA    80  0.51  2.10  
146  155  OG1   69  0.53  2.07  
147  155  O     80  0.51  2.10  
148  157  HA    68  0.56  2.06  
149  162  HD11  65  0.93  1.51  
150  162  CD1   66  0.73  2.18  
151  164  O     81  0.43  2.19  
152  166  HG23  81  0.43  2.19  
153  170  HG23  82  0.52  2.09  
154  170  HA    83  0.41  2.20  
155  171  HB3   74  0.50  1.93  
156  171  CD1   84  0.43  2.86  
157  171  N     84  0.43  2.86  
158  172  NH2   85  0.54  2.22  
159  172  O     73  0.52  2.08  
160  173  HA    72  0.44  2.18  
161  177  HE2   59  0.53  2.26  
162  179  O     86  0.41  2.21  
163  181  HD3   86  0.41  2.21  
164  182  CD2   45  0.55  2.41  
165  183  HG2   56  0.61  1.81  
166  185  HA    60  0.45  1.98  
167  186  HA    57  0.54  1.88  
168  186  HB2   58  0.54  2.06  
169  190  HD3   85  0.54  2.22  
170  191  O     82  0.52  2.09  
171  191  O     83  0.41  2.20  
172  203  O      5  0.50  2.44  
#
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  percentiles  "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
