data_5XXP

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  5XXP
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    5XXP
_pdbx_vrpt_summary.PDB_deposition_date         2017-07-04
_pdbx_vrpt_summary.PDB_revision_number         4
_pdbx_vrpt_summary.PDB_revision_date           2023-11-22
_pdbx_vrpt_summary.report_creation_date        2023-11-13:08:43
_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  "LysR-type regulatory protein"  
2  polymer  "DNA (25-MER)"  
3  polymer  "DNA (25-MER)"  
4  water    water  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  1  
C  2  
D  3  
E  4  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all   x-ray  
2  2.55  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   56.27  141614     ?     ?  
 2  2  1   61.86    1332  2.52  2.56  
 3  1  2  100.00  138981     ?     ?  
 4  2  2  100.00    1315  2.52  2.56  
 5  1  3   81.28  138945     ?     ?  
 6  2  3   88.44    1315  2.52  2.56  
 7  1  4   92.08  127900     ?     ?  
 8  2  4   95.52    1272  2.52  2.56  
 9  1  5   19.18  130704     ?     ?  
10  2  5   28.97    1284  2.52  2.56  
#
loop_
_pdbx_vrpt_percentile_entity_view.ordinal
_pdbx_vrpt_percentile_entity_view.conditions_id
_pdbx_vrpt_percentile_entity_view.type_id
_pdbx_vrpt_percentile_entity_view.label_asym_id
_pdbx_vrpt_percentile_entity_view.PDB_model_num
_pdbx_vrpt_percentile_entity_view.entity_id
_pdbx_vrpt_percentile_entity_view.auth_asym_id
_pdbx_vrpt_percentile_entity_view.rank
 1  3  2  A  1  1  A  100.00  
 2  4  2  A  1  1  A  100.00  
 3  5  3  A  1  1  A   62.50  
 4  6  3  A  1  1  A   76.50  
 5  7  4  A  1  1  A   80.23  
 6  8  4  A  1  1  A   84.75  
 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  100.00  
12  8  4  B  1  1  B  100.00  
13  7  4  C  1  2  E  100.00  
14  8  4  C  1  2  E  100.00  
15  7  4  D  1  3  F  100.00  
16  8  4  D  1  3  F  100.00  
#
loop_
_pdbx_vrpt_summary_entity_geometry.ordinal
_pdbx_vrpt_summary_entity_geometry.PDB_model_num
_pdbx_vrpt_summary_entity_geometry.entity_id
_pdbx_vrpt_summary_entity_geometry.label_asym_id
_pdbx_vrpt_summary_entity_geometry.auth_asym_id
_pdbx_vrpt_summary_entity_geometry.angles_RMSZ
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ
1  1  1  A  A  0.71  0.53  668  897  
2  1  1  B  B  0.73  0.56  662  890  
3  1  2  C  E  0.82  0.41  570  877  
4  1  3  D  F  0.81  0.45  572  882  
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  0.00
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       0.81
_pdbx_vrpt_summary_geometry.clashscore                     4.96
_pdbx_vrpt_summary_geometry.num_H_reduce                   1904
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 2472
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.49
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                3546
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.77
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.Babinet_b                 122.646
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            35.486
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         50.977
_pdbx_vrpt_summary_diffraction.I_over_sigma              4.11(2.55A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        12066
_pdbx_vrpt_summary_diffraction.Babinet_k                 0.279
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.302
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.480
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.315
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.939
_pdbx_vrpt_summary_diffraction.twin_fraction             -h-2*l,-k,l:0.020
_pdbx_vrpt_summary_diffraction.DCC_R                     0.23
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.27
_pdbx_vrpt_summary_diffraction.EDS_R                     0.22
_pdbx_vrpt_summary_diffraction.EDS_res_high              2.55
_pdbx_vrpt_summary_diffraction.EDS_res_low               67.99
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[57.565,48.638,51.113,0.000,13.485,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.170
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 8.35% 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         4
_pdbx_vrpt_summary_diffraction.centric_outliers          1
_pdbx_vrpt_summary_diffraction.data_completeness         98.34
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      604
_pdbx_vrpt_summary_diffraction.percent_free_reflections  5.01
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     0.45
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       2.55
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        67.99
_pdbx_vrpt_summary_diffraction.PDB_R                     0.22
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.26
#
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  MET  A    1  .  ?        ?  
  2  1  1  A   2  GLU  A    2  .  ?        ?  
  3  1  1  A   3  PHE  A    3  .  ?        ?  
  4  1  1  A   4  ARG  A    4  .  ?        ?  
  5  1  1  A   5  GLN  A    5  .  ?        ?  
  6  1  1  A   6  LEU  A    6  .  ?        ?  
  7  1  1  A   7  LYS  A    7  .  ?        ?  
  8  1  1  A   8  TYR  A    8  .  ?        ?  
  9  1  1  A   9  PHE  A    9  .  ?        ?  
 10  1  1  A  10  ILE  A   10  .  ?        ?  
 11  1  1  A  11  ALA  A   11  .  ?        ?  
 12  1  1  A  12  VAL  A   12  .  ?        ?  
 13  1  1  A  13  ALA  A   13  .  ?        ?  
 14  1  1  A  14  GLU  A   14  .  ?        ?  
 15  1  1  A  15  ALA  A   15  .  ?        ?  
 16  1  1  A  16  GLY  A   16  .  ?        ?  
 17  1  1  A  17  ASN  A   17  .  ?        ?  
 18  1  1  A  18  MET  A   18  .  ?        ?  
 19  1  1  A  19  ALA  A   19  .  ?        ?  
 20  1  1  A  20  ALA  A   20  .  ?        ?  
 21  1  1  A  21  ALA  A   21  .  ?        ?  
 22  1  1  A  22  ALA  A   22  .  ?        ?  
 23  1  1  A  23  LYS  A   23  .  ?        ?  
 24  1  1  A  24  ARG  A   24  .  ?        ?  
 25  1  1  A  25  LEU  A   25  .  ?        ?  
 26  1  1  A  26  HIS  A   26  .  ?        ?  
 27  1  1  A  27  VAL  A   27  .  ?        ?  
 28  1  1  A  28  SER  A   28  .  ?        1  
 29  1  1  A  29  GLN  A   29  .  ?        ?  
 30  1  1  A  30  PRO  A   30  .  ?        ?  
 31  1  1  A  31  PRO  A   31  .  ?        1  
 32  1  1  A  32  ILE  A   32  .  ?        ?  
 33  1  1  A  33  THR  A   33  .  ?        1  
 34  1  1  A  34  ARG  A   34  .  ?        ?  
 35  1  1  A  35  GLN  A   35  .  ?        ?  
 36  1  1  A  36  MET  A   36  .  ?        ?  
 37  1  1  A  37  GLN  A   37  .  ?        ?  
 38  1  1  A  38  ALA  A   38  .  ?        ?  
 39  1  1  A  39  LEU  A   39  .  ?        ?  
 40  1  1  A  40  GLU  A   40  .  ?        ?  
 41  1  1  A  41  ALA  A   41  .  ?        ?  
 42  1  1  A  42  ASP  A   42  .  ?        ?  
 43  1  1  A  43  LEU  A   43  .  ?        ?  
 44  1  1  A  44  GLY  A   44  .  ?        ?  
 45  1  1  A  45  VAL  A   45  .  ?        ?  
 46  1  1  A  46  VAL  A   46  .  ?        ?  
 47  1  1  A  47  LEU  A   47  .  ?        ?  
 48  1  1  A  48  LEU  A   48  .  ?        ?  
 49  1  1  A  49  GLU  A   49  .  ?        ?  
 50  1  1  A  50  ARG  A   50  .  ?        ?  
 51  1  1  A  51  SER  A   51  .  ?        ?  
 52  1  1  A  52  HIS  A   52  .  ?        ?  
 53  1  1  A  53  ARG  A   53  .  ?        ?  
 54  1  1  A  54  GLY  A   54  .  ?        ?  
 55  1  1  A  55  ILE  A   55  .  ?        ?  
 56  1  1  A  56  GLU  A   56  .  ?        ?  
 57  1  1  A  57  LEU  A   57  .  ?        ?  
 58  1  1  A  58  THR  A   58  .  ?        ?  
 59  1  1  A  59  ALA  A   59  .  ?        ?  
 60  1  1  A  60  ALA  A   60  .  ?        ?  
 61  1  1  A  61  GLY  A   61  .  ?        ?  
 62  1  1  A  62  HIS  A   62  .  ?        ?  
 63  1  1  A  63  ALA  A   63  .  ?        ?  
 64  1  1  A  64  PHE  A   64  .  ?        ?  
 65  1  1  A  65  LEU  A   65  .  ?        ?  
 66  1  1  A  66  GLU  A   66  .  ?        ?  
 67  1  1  A  67  ASP  A   67  .  ?        1  
 68  1  1  A  68  ALA  A   68  .  ?        ?  
 69  1  1  A  69  ARG  A   69  .  ?        ?  
 70  1  1  A  70  ARG  A   70  .  ?        ?  
 71  1  1  A  71  ILE  A   71  .  ?        ?  
 72  1  1  A  72  LEU  A   72  .  ?        ?  
 73  1  1  A  73  GLU  A   73  .  ?        ?  
 74  1  1  A  74  LEU  A   74  .  ?        ?  
 75  1  1  A  75  ALA  A   75  .  ?        ?  
 76  1  1  A  76  GLY  A   76  .  ?        ?  
 77  1  1  A  77  ARG  A   77  .  ?        ?  
 78  1  1  A  78  SER  A   78  .  ?        ?  
 79  1  1  A  79  GLY  A   79  .  ?        ?  
 80  1  1  A  80  ASP  A   80  .  ?        ?  
 81  1  1  A  81  ARG  A   81  .  ?        ?  
 82  1  1  A  82  SER  A   82  .  ?        ?  
 83  1  1  A  83  ARG  A   83  .  ?        ?  
 84  1  1  A  84  ALA  A   84  .  ?        ?  
 85  1  1  A  85  ALA  A   85  .  ?        ?  
 86  1  1  A  86  ALA  A   86  .  ?        ?  
 87  1  1  A  87  ARG  A   87  .  ?        ?  
 88  1  1  B   1  MET  B    1  .  ?        ?  
 89  1  1  B   2  GLU  B    2  .  ?        ?  
 90  1  1  B   3  PHE  B    3  .  ?        ?  
 91  1  1  B   4  ARG  B    4  .  ?        1  
 92  1  1  B   5  GLN  B    5  .  ?        ?  
 93  1  1  B   6  LEU  B    6  .  ?        ?  
 94  1  1  B   7  LYS  B    7  .  ?        ?  
 95  1  1  B   8  TYR  B    8  .  ?        ?  
 96  1  1  B   9  PHE  B    9  .  ?        ?  
 97  1  1  B  10  ILE  B   10  .  ?        ?  
 98  1  1  B  11  ALA  B   11  .  ?        ?  
 99  1  1  B  12  VAL  B   12  .  ?        ?  
100  1  1  B  13  ALA  B   13  .  ?        ?  
101  1  1  B  14  GLU  B   14  .  ?        ?  
102  1  1  B  15  ALA  B   15  .  ?        ?  
103  1  1  B  16  GLY  B   16  .  ?        ?  
104  1  1  B  17  ASN  B   17  .  ?        ?  
105  1  1  B  18  MET  B   18  .  ?        ?  
106  1  1  B  19  ALA  B   19  .  ?        ?  
107  1  1  B  20  ALA  B   20  .  ?        ?  
108  1  1  B  21  ALA  B   21  .  ?        ?  
109  1  1  B  22  ALA  B   22  .  ?        ?  
110  1  1  B  23  LYS  B   23  .  ?        ?  
111  1  1  B  24  ARG  B   24  .  ?        ?  
112  1  1  B  25  LEU  B   25  .  ?        ?  
113  1  1  B  26  HIS  B   26  .  ?        ?  
114  1  1  B  27  VAL  B   27  .  ?        ?  
115  1  1  B  28  SER  B   28  .  ?        ?  
116  1  1  B  29  GLN  B   29  .  ?        ?  
117  1  1  B  30  PRO  B   30  .  ?        ?  
118  1  1  B  31  PRO  B   31  .  ?        ?  
119  1  1  B  32  ILE  B   32  .  ?        ?  
120  1  1  B  33  THR  B   33  .  ?        3  
121  1  1  B  34  ARG  B   34  .  ?        ?  
122  1  1  B  35  GLN  B   35  .  ?        ?  
123  1  1  B  36  MET  B   36  .  ?        ?  
124  1  1  B  37  GLN  B   37  .  ?        ?  
125  1  1  B  38  ALA  B   38  .  ?        ?  
126  1  1  B  39  LEU  B   39  .  ?        ?  
127  1  1  B  40  GLU  B   40  .  ?        ?  
128  1  1  B  41  ALA  B   41  .  ?        ?  
129  1  1  B  42  ASP  B   42  .  ?        ?  
130  1  1  B  43  LEU  B   43  .  ?        ?  
131  1  1  B  44  GLY  B   44  .  ?        ?  
132  1  1  B  45  VAL  B   45  .  ?        1  
133  1  1  B  46  VAL  B   46  .  ?        ?  
134  1  1  B  47  LEU  B   47  .  ?        ?  
135  1  1  B  48  LEU  B   48  .  ?        ?  
136  1  1  B  49  GLU  B   49  .  ?        ?  
137  1  1  B  50  ARG  B   50  .  ?        ?  
138  1  1  B  51  SER  B   51  .  ?        ?  
139  1  1  B  52  HIS  B   52  .  ?        ?  
140  1  1  B  53  ARG  B   53  .  ?        ?  
141  1  1  B  54  GLY  B   54  .  ?        ?  
142  1  1  B  55  ILE  B   55  .  ?        ?  
143  1  1  B  56  GLU  B   56  .  ?        ?  
144  1  1  B  57  LEU  B   57  .  ?        ?  
145  1  1  B  58  THR  B   58  .  ?        ?  
146  1  1  B  59  ALA  B   59  .  ?        ?  
147  1  1  B  60  ALA  B   60  .  ?        1  
148  1  1  B  61  GLY  B   61  .  ?        ?  
149  1  1  B  62  HIS  B   62  .  ?        ?  
150  1  1  B  63  ALA  B   63  .  ?        ?  
151  1  1  B  64  PHE  B   64  .  ?        ?  
152  1  1  B  65  LEU  B   65  .  ?        ?  
153  1  1  B  66  GLU  B   66  .  ?        ?  
154  1  1  B  67  ASP  B   67  .  ?        ?  
155  1  1  B  68  ALA  B   68  .  ?        ?  
156  1  1  B  69  ARG  B   69  .  ?        ?  
157  1  1  B  70  ARG  B   70  .  ?        ?  
158  1  1  B  71  ILE  B   71  .  ?        ?  
159  1  1  B  72  LEU  B   72  .  ?        ?  
160  1  1  B  73  GLU  B   73  .  ?        ?  
161  1  1  B  74  LEU  B   74  .  ?        ?  
162  1  1  B  75  ALA  B   75  .  ?        ?  
163  1  1  B  76  GLY  B   76  .  ?        ?  
164  1  1  B  77  ARG  B   77  .  ?        ?  
165  1  1  B  78  SER  B   78  .  ?        1  
166  1  1  B  79  GLY  B   79  .  ?        ?  
167  1  1  B  80  ASP  B   80  .  ?        ?  
168  1  1  B  81  ARG  B   81  .  ?        ?  
169  1  1  B  82  SER  B   82  .  ?        ?  
170  1  1  B  83  ARG  B   83  .  ?        ?  
171  1  1  B  84  ALA  B   84  .  ?        ?  
172  1  1  B  85  ALA  B   85  .  ?        ?  
173  1  1  B  86  ALA  B   86  .  ?        ?  
174  1  1  B  87  ARG  B   87  .  ?        ?  
175  1  2  C   1  DC   E    1  .  ?        2  
176  1  2  C   2  DT   E    2  .  ?        2  
177  1  2  C   3  DA   E    3  .  ?        ?  
178  1  2  C   4  DT   E    4  .  ?        ?  
179  1  2  C   5  DA   E    5  .  ?        1  
180  1  2  C   6  DT   E    6  .  ?        5  
181  1  2  C   7  DT   E    7  .  ?        2  
182  1  2  C   8  DA   E    8  .  ?        1  
183  1  2  C   9  DC   E    9  .  ?        ?  
184  1  2  C  10  DG   E   10  .  ?        ?  
185  1  2  C  11  DC   E   11  .  ?        ?  
186  1  2  C  12  DA   E   12  .  ?        ?  
187  1  2  C  13  DA   E   13  .  ?        ?  
188  1  2  C  14  DA   E   14  .  ?        ?  
189  1  2  C  15  DC   E   15  .  ?        ?  
190  1  2  C  16  DC   E   16  .  ?        1  
191  1  2  C  17  DG   E   17  .  ?        2  
192  1  2  C  18  DT   E   18  .  ?        1  
193  1  2  C  19  DA   E   19  .  ?        ?  
194  1  2  C  20  DA   E   20  .  ?        ?  
195  1  2  C  21  DC   E   21  .  ?        ?  
196  1  2  C  22  DG   E   22  .  ?        ?  
197  1  2  C  23  DA   E   23  .  ?        ?  
198  1  2  C  24  DT   E   24  .  ?        ?  
199  1  2  C  25  DG   E   25  .  ?        ?  
200  1  3  D   1  DC   F    1  .  ?        1  
201  1  3  D   2  DA   F    2  .  ?        1  
202  1  3  D   3  DT   F    3  .  ?        ?  
203  1  3  D   4  DC   F    4  .  ?        ?  
204  1  3  D   5  DG   F    5  .  ?        ?  
205  1  3  D   6  DT   F    6  .  ?        2  
206  1  3  D   7  DT   F    7  .  ?        1  
207  1  3  D   8  DA   F    8  .  ?        1  
208  1  3  D   9  DC   F    9  .  ?        1  
209  1  3  D  10  DG   F   10  .  ?        ?  
210  1  3  D  11  DG   F   11  .  ?        1  
211  1  3  D  12  DT   F   12  .  ?        1  
212  1  3  D  13  DT   F   13  .  ?        ?  
213  1  3  D  14  DT   F   14  .  ?        ?  
214  1  3  D  15  DG   F   15  .  ?        ?  
215  1  3  D  16  DC   F   16  .  ?        1  
216  1  3  D  17  DG   F   17  .  ?        2  
217  1  3  D  18  DT   F   18  .  ?        2  
218  1  3  D  19  DA   F   19  .  ?        ?  
219  1  3  D  20  DA   F   20  .  ?        ?  
220  1  3  D  21  DT   F   21  .  ?        ?  
221  1  3  D  22  DA   F   22  .  ?        ?  
222  1  3  D  23  DT   F   23  .  ?        ?  
223  1  3  D  24  DA   F   24  .  ?        ?  
224  1  3  D  25  DG   F   25  .  ?        ?  
225  1  4  E   .  HOH  A  201  .  ?        ?  
226  1  4  E   .  HOH  A  202  .  ?        ?  
#
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  mtt           ?       ?  ?          11   55.050     8  0.82    10  1.22  molprobity  1.000  
  2    2  mm-40    -119.8   147.7  Favored     6   56.040     9  0.66    12  0.43  molprobity  1.000  
  3    3  m-85      -55.3   -38.3  Favored     9   38.220    12  0.70    16  0.58  molprobity  1.000  
  4    4  ttt180    -60.6   -35.1  Favored    13   63.160    11  0.40    14  0.88  molprobity  1.000  
  5    5  mt-30     -70.4   -39.6  Favored     8   35.860     9  0.88    12  0.52  molprobity  1.000  
  6    6  mt        -59.9   -46.2  Favored    11   35.920     8  0.29    11  0.47  molprobity  1.000  
  7    7  mttt      -64.1   -43.7  Favored    13   47.160     9  0.60    11  0.84  molprobity  1.000  
  8    8  m-30      -64.5   -43.6  Favored     9   36.580    13  0.73    18  1.11  molprobity  1.000  
  9    9  t80       -67.6   -40.0  Favored     9   37.630    12  0.51    16  0.30  molprobity  1.000  
 10   10  mt        -58.4   -48.5  Favored    11   38.280     8  0.39    11  0.47  molprobity  1.000  
 11   11  ?         -59.3   -41.3  Favored     5   35.540     5  0.56     7  0.40  molprobity  1.000  
 12   12  t         -67.2   -45.9  Favored     9   38.560     7  0.58    10  0.50  molprobity  1.000  
 13   13  ?         -52.8   -48.2  Favored     5   41.730     5  0.54     7  0.62  molprobity  1.000  
 14   14  mt-10     -68.0   -42.1  Favored     6   51.470     9  0.69    12  0.43  molprobity  1.000  
 15   15  ?         -66.6   -41.3  Favored     5   45.570     5  0.61     7  0.59  molprobity  1.000  
 16   16  ?          86.5   -12.3  Favored     3   47.260     4  0.91     5  0.77  molprobity  1.000  
 17   17  p30      -148.5   152.2  Favored     6   51.850     8  0.45    11  0.38  molprobity  1.000  
 18   18  mtt       -74.1   -29.0  Favored     9   43.870     8  0.31    10  1.03  molprobity  1.000  
 19   19  ?         -64.7   -50.9  Favored     5   42.660     5  0.47     7  0.42  molprobity  1.000  
 20   20  ?         -56.4   -40.6  Favored     5   42.020     5  0.55     7  0.45  molprobity  1.000  
 21   21  ?         -60.8   -49.5  Favored     5   41.370     5  0.56     7  0.45  molprobity  1.000  
 22   22  ?         -52.8   -45.4  Favored     5   37.990     5  0.47     7  0.64  molprobity  1.000  
 23   23  mtmm      -62.6   -40.7  Favored    13   56.470     9  0.41    11  0.53  molprobity  1.000  
 24   24  ttt-85    -63.5   -28.7  Favored    13   54.100    11  0.44    14  1.26  molprobity  1.000  
 25   25  mt        -94.6    -5.7  Favored    11   44.410     8  0.25    11  0.57  molprobity  1.000  
 26   26  m-70       64.6    40.9  Favored     7   50.250    11  0.46    15  0.46  molprobity  1.000  
 27   27  m        -130.6   170.4  Favored     9   42.490     7  0.42    10  0.59  molprobity  1.000  
 28   28  p         -79.8   161.4  Favored     5   42.030     6  0.18     8  0.66  molprobity  1.000  
 29   29  mp0       -59.5   -40.9  Favored     8   44.550     9  0.49    13  0.84  molprobity  1.000  
 30   30  Cg_exo    -62.3   -39.6  Favored     7   46.370     8  0.29    12  0.87  molprobity  1.000  
 31   31  Cg_exo    -53.1   -28.8  Favored     7   40.050     8  0.31    11  0.41  molprobity  1.000  
 32   32  mm        -72.7   -48.7  Favored    11   42.800     8  0.52    11  0.74  molprobity  1.000  
 33   33  p         -66.9   -33.8  Favored     7   42.140     7  0.51    10  0.80  molprobity  1.000  
 34   34  mtm-85    -75.5   -43.6  Favored    13   44.030    11  0.67    14  1.42  molprobity  1.000  
 35   35  mm-40     -64.2   -36.4  Favored     8   43.850     9  0.59    12  0.47  molprobity  1.000  
 36   36  mmt       -61.8   -37.0  Favored     9   38.970     8  0.34    10  0.83  molprobity  1.000  
 37   37  mt-30     -66.3   -41.5  Favored     8   37.650     9  0.42    12  0.50  molprobity  1.000  
 38   38  ?         -64.9   -42.0  Favored     5   38.370     5  0.70     7  0.38  molprobity  1.000  
 39   39  tp        -59.3   -49.5  Favored    11   35.050     8  0.60    11  0.59  molprobity  1.000  
 40   40  mt-10     -63.3   -41.4  Favored     6   43.960     9  1.15    12  0.49  molprobity  1.000  
 41   41  ?         -57.3   -56.9  Favored     5   48.340     5  0.38     7  0.37  molprobity  1.000  
 42   42  t70       -57.4   -32.5  Favored     4   56.610     8  0.44    11  0.49  molprobity  1.000  
 43   43  mt        -90.3   -19.1  Favored    11   46.070     8  0.28    11  0.93  molprobity  1.000  
 44   44  ?          72.0    38.4  Favored     3   46.920     4  0.52     5  0.62  molprobity  1.000  
 45   45  p        -159.6   151.3  Favored     9   55.250     7  0.33    10  0.45  molprobity  1.000  
 46   46  t         -90.6   114.2  Favored     9   51.800     7  0.48    10  0.51  molprobity  1.000  
 47   47  mt        -86.9   -28.0  Favored    11   42.450     8  0.40    11  0.62  molprobity  1.000  
 48   48  mt       -130.0   132.3  Favored    11   48.890     8  0.37    11  0.79  molprobity  1.000  
 49   49  mm-40     -85.3   112.8  Favored     6   72.290     9  0.30    12  0.67  molprobity  1.000  
 50   50  mpt_?     -86.8   136.3  Favored    13   64.740    11  0.38    14  0.54  molprobity  1.000  
 51   51  p        -131.9  -179.3  Favored     5   85.730     6  0.66     8  0.61  molprobity  1.000  
 52   52  OUTLIER   -76.8   -18.4  Favored     7  106.900    11  0.32    15  0.23  molprobity  1.000  
 53   53  mtm-85    -71.2   -60.4  Favored    13  107.300    11  0.23    14  0.72  molprobity  1.000  
 54   54  ?        -171.8  -120.9  Allowed     3   81.710     4  0.56     5  0.14  molprobity  1.000  
 55   55  pp       -139.8   141.0  Favored    11   56.170     8  0.39    11  0.71  molprobity  1.000  
 56   56  ?        -118.2   156.3  Favored     2   55.030     5  0.45     7  0.88  molprobity  1.000  
 57   57  mt        -91.0   142.1  Favored    11   60.320     8  0.50    11  0.65  molprobity  1.000  
 58   58  p         -81.7   170.0  Favored     7   51.290     7  0.30    10  0.60  molprobity  1.000  
 59   59  ?         -50.6   -48.9  Favored     5   55.040     5  0.22     7  0.35  molprobity  1.000  
 60   60  ?         -61.5   -29.6  Favored     5   40.120     5  0.54     7  0.43  molprobity  1.000  
 61   61  ?         -63.2   -50.5  Favored     3   46.820     4  0.43     5  0.35  molprobity  1.000  
 62   62  m-70      -66.2   -42.2  Favored     7   51.130    11  0.26    15  0.32  molprobity  1.000  
 63   63  ?         -52.3   -60.3  Favored     5   38.510     5  0.48     7  0.52  molprobity  1.000  
 64   64  t80       -56.9   -37.5  Favored     9   39.640    12  0.62    16  0.63  molprobity  1.000  
 65   65  tp        -59.1   -49.6  Favored    11   40.140     8  0.39    11  0.49  molprobity  1.000  
 66   66  mt-10     -53.6   -44.8  Favored     6   66.580     9  0.47    12  0.52  molprobity  1.000  
 67   67  m-20      -74.8   -32.5  Favored     4   43.150     8  0.57    11  0.70  molprobity  1.000  
 68   68  ?         -58.0   -50.5  Favored     5   37.640     5  0.43     7  0.43  molprobity  1.000  
 69   69  mtt180    -51.7   -46.2  Favored    13   34.640    11  0.57    14  0.91  molprobity  1.000  
 70   70  mtm180    -68.7   -25.0  Favored    13   43.040    11  0.77    14  1.20  molprobity  1.000  
 71   71  mt        -77.1   -37.8  Favored    11   34.690     8  0.17    11  0.66  molprobity  1.000  
 72   72  mt        -67.8   -49.5  Favored    11   32.640     8  0.74    11  0.69  molprobity  1.000  
 73   73  tp10      -46.7   -52.9  Favored     6   57.430     9  0.55    12  0.55  molprobity  1.000  
 74   74  tp        -68.6   -35.1  Favored    11   38.420     8  0.47    11  0.93  molprobity  1.000  
 75   75  ?         -65.9   -47.6  Favored     5   34.280     5  0.54     7  0.49  molprobity  1.000  
 76   76  ?         -53.5   -49.3  Favored     3   37.060     4  0.38     5  0.20  molprobity  1.000  
 77   77  mtt180    -71.8   -34.4  Favored    13   63.680    11  0.46    14  1.01  molprobity  1.000  
 78   78  p         -57.9   -29.2  Favored     5   48.740     6  0.63     8  0.43  molprobity  1.000  
 79   79  ?         -76.7   -46.3  Favored     3   49.750     4  0.27     5  0.62  molprobity  1.000  
 80   80  m-20      -58.8   -45.6  Favored     4   49.480     8  0.39    11  0.47  molprobity  1.000  
 81   81  mtm-85    -55.7   -49.1  Favored    13   57.840    11  0.64    14  1.05  molprobity  1.000  
 82   82  p         -64.5   -48.2  Favored     5   46.990     6  0.73     8  1.35  molprobity  1.000  
 83   83  mtm-85    -55.5   -48.2  Favored    13   48.300    11  0.57    14  1.04  molprobity  1.000  
 84   84  ?         -52.0   -50.8  Favored     5   57.020     5  0.48     7  0.46  molprobity  1.000  
 85   85  ?         -53.6   -28.2  Favored     5   59.860     5  0.48     7  0.54  molprobity  1.000  
 86   86  ?         -55.9   -45.3  Favored     5   73.020     5  0.17     7  0.44  molprobity  1.000  
 87   87  ?             ?       ?  ?           2   75.530     4  0.62     4  0.69  molprobity  1.000  
 88   88  ttm           ?       ?  ?          11   60.570     8  0.57    10  0.65  molprobity  1.000  
 89   89  mt-10    -131.8   150.7  Favored     6   70.370     9  0.61    12  0.58  molprobity  1.000  
 90   90  m-85      -53.3   -38.4  Favored     9   45.240    12  1.01    16  0.60  molprobity  1.000  
 91   91  ttp180    -62.7   -32.9  Favored    13   61.780    11  0.37    14  0.56  molprobity  1.000  
 92   92  mt-30     -71.1   -34.1  Favored     8   38.790     9  0.69    12  0.58  molprobity  1.000  
 93   93  mt        -64.9   -48.2  Favored    11   30.470     8  0.71    11  0.86  molprobity  1.000  
 94   94  mtmm      -60.9   -50.4  Favored    13   45.390     9  0.60    11  0.69  molprobity  1.000  
 95   95  m-30      -56.3   -43.9  Favored     9   36.200    13  0.57    18  0.90  molprobity  1.000  
 96   96  t80       -63.6   -57.3  Favored     9   36.460    12  0.57    16  0.36  molprobity  1.000  
 97   97  mt        -45.1   -49.9  Favored    11   35.870     8  0.24    11  0.92  molprobity  1.000  
 98   98  ?         -59.6   -40.0  Favored     5   34.860     5  0.70     7  0.36  molprobity  1.000  
 99   99  t         -68.3   -44.4  Favored     9   37.710     7  0.33    10  0.56  molprobity  1.000  
100  100  ?         -57.6   -49.9  Favored     5   38.160     5  0.65     7  0.36  molprobity  1.000  
101  101  mt-10     -62.5   -40.2  Favored     6   42.180     9  0.80    12  0.67  molprobity  1.000  
102  102  ?         -72.6   -27.8  Favored     5   45.380     5  0.52     7  0.79  molprobity  1.000  
103  103  ?          82.6   -14.8  Favored     3   49.230     4  0.49     5  0.59  molprobity  1.000  
104  104  p30      -158.3   158.1  Favored     6   49.680     8  0.60    11  0.63  molprobity  1.000  
105  105  mtt       -69.7   -28.7  Favored     9   38.860     8  0.60    10  0.59  molprobity  1.000  
106  106  ?         -72.6   -36.9  Favored     5   37.260     5  0.44     7  0.46  molprobity  1.000  
107  107  ?         -76.7   -38.4  Favored     5   35.340     5  0.55     7  0.40  molprobity  1.000  
108  108  ?         -59.3   -44.9  Favored     5   34.800     5  0.80     7  0.62  molprobity  1.000  
109  109  ?         -52.6   -49.9  Favored     5   37.010     5  0.51     7  0.43  molprobity  1.000  
110  110  mttt      -59.4   -42.1  Favored    13   52.100     9  0.47    11  0.48  molprobity  1.000  
111  111  ttt180    -67.9   -30.9  Favored    13   54.630    11  0.30    14  1.04  molprobity  1.000  
112  112  mt        -88.7     2.7  Favored    11   41.750     8  0.50    11  0.38  molprobity  1.000  
113  113  m80        56.9    46.1  Favored     7   52.370    11  0.27    15  0.32  molprobity  1.000  
114  114  m        -136.2   163.6  Favored     9   40.740     7  0.47    10  0.56  molprobity  1.000  
115  115  p         -67.1   165.2  Favored     5   40.990     6  0.68     8  0.69  molprobity  1.000  
116  116  mp0       -68.6   -29.1  Allowed     8   41.630     9  0.49    13  1.22  molprobity  1.000  
117  117  Cg_exo    -67.3   -37.1  Favored     7   45.120     8  0.26    12  0.82  molprobity  1.000  
118  118  Cg_exo    -53.1   -35.4  Favored     7   38.170     8  0.52    11  0.42  molprobity  1.000  
119  119  mm        -65.7   -58.5  Favored    11   41.640     8  0.48    11  0.92  molprobity  1.000  
120  120  p         -53.7   -38.0  Favored     7   36.540     7  1.05    10  1.21  molprobity  1.000  
121  121  mtm-85    -75.2   -37.6  Favored    13   37.930    11  0.66    14  1.40  molprobity  1.000  
122  122  mm-40     -76.5   -28.6  Favored     8   45.760     9  0.52    12  0.46  molprobity  1.000  
123  123  mmt       -66.8   -34.4  Favored     9   40.200     8  0.38    10  0.59  molprobity  1.000  
124  124  mt-30     -65.1   -45.4  Favored     8   37.790     9  0.54    12  0.52  molprobity  1.000  
125  125  ?         -62.8   -43.3  Favored     5   37.610     5  0.60     7  0.39  molprobity  1.000  
126  126  tp        -61.9   -51.4  Favored    11   33.480     8  0.54    11  0.47  molprobity  1.000  
127  127  mt-10     -56.5   -34.6  Favored     6   45.140     9  0.70    12  0.39  molprobity  1.000  
128  128  ?         -73.6   -47.3  Favored     5   45.920     5  0.54     7  0.83  molprobity  1.000  
129  129  t70       -61.0   -38.5  Favored     4   55.990     8  0.34    11  0.55  molprobity  1.000  
130  130  mt        -78.2   -22.1  Favored    11   43.810     8  0.34    11  1.00  molprobity  1.000  
131  131  ?          68.2    27.9  Favored     3   56.630     4  0.32     5  0.22  molprobity  1.000  
132  132  p        -137.7   159.0  Favored     9   55.600     7  0.23    10  0.73  molprobity  1.000  
133  133  t         -96.4   120.2  Favored     9   50.240     7  0.52    10  0.61  molprobity  1.000  
134  134  mt        -96.9   -26.9  Favored    11   46.260     8  0.48    11  0.44  molprobity  1.000  
135  135  mt       -135.6   137.1  Favored    11   50.560     8  0.22    11  0.55  molprobity  1.000  
136  136  mt-10     -94.5   119.4  Favored     6   70.030     9  0.52    12  0.57  molprobity  1.000  
137  137  mpt_?     -87.7   134.7  Favored    13   52.900    11  0.49    14  0.75  molprobity  1.000  
138  138  p        -133.2  -175.5  Favored     5   65.260     6  0.34     8  0.46  molprobity  1.000  
139  139  p-80      -77.1   -11.7  Favored     7   77.140    11  0.14    15  0.43  molprobity  1.000  
140  140  ?         -99.7   -10.0  Favored     2   60.580     5  0.42     7  0.40  molprobity  1.000  
141  141  ?         138.6  -146.7  Favored     3   54.010     4  0.35     5  0.27  molprobity  1.000  
142  142  pp       -128.0   157.0  Favored    11   48.500     8  0.33    11  0.73  molprobity  1.000  
143  143  ?        -137.4   141.8  Favored     2   56.270     5  0.62     7  0.66  molprobity  1.000  
144  144  mt        -83.6   139.2  Favored    11   60.200     8  0.45    11  0.95  molprobity  1.000  
145  145  p         -74.0   177.7  Favored     7   63.580     7  0.48    10  0.67  molprobity  1.000  
146  146  ?         -58.0   -51.8  Favored     5   66.350     5  0.39     7  0.76  molprobity  1.000  
147  147  ?         -49.2   -33.9  Favored     5   50.610     5  0.60     7  0.46  molprobity  1.000  
148  148  ?         -84.1   -34.4  Favored     3   49.510     4  0.60     5  0.32  molprobity  1.000  
149  149  m80       -65.9   -42.0  Favored     7   56.680    11  0.40    15  0.34  molprobity  1.000  
150  150  ?         -56.7   -56.9  Favored     5   48.480     5  0.39     7  0.67  molprobity  1.000  
151  151  t80       -63.2   -33.3  Favored     9   39.440    12  1.05    16  0.55  molprobity  1.000  
152  152  tp        -58.0   -43.8  Favored    11   39.850     8  0.27    11  0.49  molprobity  1.000  
153  153  mm-40     -64.6   -39.7  Favored     6   60.570     9  1.14    12  0.96  molprobity  1.000  
154  154  m-20      -78.0   -35.5  Favored     4   48.880     8  0.45    11  0.72  molprobity  1.000  
155  155  ?         -45.7   -56.2  Favored     5   39.580     5  0.60     7  0.34  molprobity  1.000  
156  156  mtt180    -58.6   -44.0  Favored    13   41.150    11  0.59    14  0.95  molprobity  1.000  
157  157  mtm-85    -56.8   -43.6  Favored    13   50.540    11  0.55    14  1.32  molprobity  1.000  
158  158  mt        -68.2   -41.9  Favored    11   35.460     8  0.35    11  0.58  molprobity  1.000  
159  159  mt        -70.6   -48.4  Favored    11   37.930     8  0.51    11  0.88  molprobity  1.000  
160  160  tt0       -47.9   -51.4  Favored     6   46.700     9  0.61    12  0.50  molprobity  1.000  
161  161  tp        -64.5   -36.1  Favored    11   36.990     8  0.45    11  0.74  molprobity  1.000  
162  162  ?         -66.5   -36.8  Favored     5   42.760     5  0.43     7  0.19  molprobity  1.000  
163  163  ?         -65.3   -57.7  Favored     3   40.790     4  0.47     5  0.72  molprobity  1.000  
164  164  mmm180    -55.8   -38.5  Favored    13   49.160    11  0.46    14  1.50  molprobity  1.000  
165  165  m         -62.0   -33.0  Favored     5   41.240     6  0.67     8  0.68  molprobity  1.000  
166  166  ?         -58.8   -52.4  Favored     3   38.460     4  0.46     5  0.52  molprobity  1.000  
167  167  m-20      -57.1   -40.9  Favored     4   45.190     8  0.75    11  0.50  molprobity  1.000  
168  168  mtt180    -63.8   -44.9  Favored    13   47.860    11  0.62    14  1.52  molprobity  1.000  
169  169  t         -69.0   -40.2  Favored     5   49.790     6  0.52     8  0.62  molprobity  1.000  
170  170  mtm-85    -61.5   -46.6  Favored    13   42.790    11  0.68    14  0.69  molprobity  1.000  
171  171  ?         -58.8   -36.5  Favored     5   59.630     5  0.45     7  0.45  molprobity  1.000  
172  172  ?         -73.6   -23.8  Favored     5   59.000     5  0.44     7  0.48  molprobity  1.000  
173  173  ?         -77.7    26.7  Allowed     5   60.880     5  0.47     7  0.37  molprobity  1.000  
174  174  ?             ?       ?  ?           2   65.590     4  0.73     4  0.90  molprobity  1.000  
175  175  ?             ?       ?  ?          12   82.000    18  0.30    28  0.60  molprobity  1.000  
176  176  ?             ?       ?  ?          12   73.820    22  0.36    34  0.51  molprobity  1.000  
177  177  ?             ?       ?  ?          11   71.010    24  0.42    37  0.70  molprobity  1.000  
178  178  ?             ?       ?  ?          12   61.630    22  0.49    34  1.06  molprobity  1.000  
179  179  ?             ?       ?  ?          11   49.640    24  0.59    37  0.88  molprobity  1.000  
180  180  ?             ?       ?  ?          12   47.440    22  0.36    34  0.76  molprobity  1.000  
181  181  ?             ?       ?  ?          12   53.720    22  0.32    34  0.83  molprobity  1.000  
182  182  ?             ?       ?  ?          11   60.460    24  0.28    37  0.92  molprobity  1.000  
183  183  ?             ?       ?  ?          11   65.740    21  0.67    32  0.81  molprobity  1.000  
184  184  ?             ?       ?  ?          11   69.450    25  0.33    39  0.67  molprobity  1.000  
185  185  ?             ?       ?  ?          11   84.990    21  0.39    32  0.77  molprobity  1.000  
186  186  ?             ?       ?  ?          11   78.410    24  0.28    37  0.71  molprobity  1.000  
187  187  ?             ?       ?  ?          11   73.540    24  0.31    37  0.77  molprobity  1.000  
188  188  ?             ?       ?  ?          11   70.070    24  0.58    37  0.85  molprobity  1.000  
189  189  ?             ?       ?  ?          11   70.100    21  0.69    32  0.94  molprobity  1.000  
190  190  ?             ?       ?  ?          11   69.500    21  0.28    32  0.66  molprobity  1.000  
191  191  ?             ?       ?  ?          11   57.930    25  0.41    39  0.44  molprobity  1.000  
192  192  ?             ?       ?  ?          12   58.080    22  0.22    34  0.64  molprobity  1.000  
193  193  ?             ?       ?  ?          11   65.380    24  0.30    37  0.73  molprobity  1.000  
194  194  ?             ?       ?  ?          11   68.110    24  0.30    37  0.63  molprobity  1.000  
195  195  ?             ?       ?  ?          11   66.440    21  0.43    32  1.07  molprobity  1.000  
196  196  ?             ?       ?  ?          11   69.010    25  0.37    39  1.16  molprobity  1.000  
197  197  ?             ?       ?  ?          11   81.440    24  0.47    37  1.03  molprobity  1.000  
198  198  ?             ?       ?  ?          12   88.660    22  0.29    34  1.15  molprobity  1.000  
199  199  ?             ?       ?  ?          12   90.690    24  0.27    35  0.68  molprobity  1.000  
200  200  ?             ?       ?  ?          12   92.360    18  0.29    28  0.80  molprobity  1.000  
201  201  ?             ?       ?  ?          11   74.900    24  0.48    37  0.80  molprobity  1.000  
202  202  ?             ?       ?  ?          12   74.300    22  0.30    34  0.66  molprobity  1.000  
203  203  ?             ?       ?  ?          11   64.390    21  0.51    32  1.19  molprobity  1.000  
204  204  ?             ?       ?  ?          11   52.130    25  0.37    39  0.65  molprobity  1.000  
205  205  ?             ?       ?  ?          12   43.560    22  0.36    34  0.89  molprobity  1.000  
206  206  ?             ?       ?  ?          12   50.530    22  0.28    34  1.02  molprobity  1.000  
207  207  ?             ?       ?  ?          11   57.200    24  0.41    37  0.82  molprobity  1.000  
208  208  ?             ?       ?  ?          11   67.240    21  0.66    32  0.76  molprobity  1.000  
209  209  ?             ?       ?  ?          11   71.860    25  0.44    39  0.77  molprobity  1.000  
210  210  ?             ?       ?  ?          11   80.410    25  0.22    39  0.72  molprobity  1.000  
211  211  ?             ?       ?  ?          12   79.220    22  0.41    34  0.91  molprobity  1.000  
212  212  ?             ?       ?  ?          12   75.910    22  0.90    34  1.05  molprobity  1.000  
213  213  ?             ?       ?  ?          12   68.180    22  0.82    34  1.28  molprobity  1.000  
214  214  ?             ?       ?  ?          11   70.970    25  0.64    39  0.72  molprobity  1.000  
215  215  ?             ?       ?  ?          11   72.550    21  0.47    32  0.93  molprobity  1.000  
216  216  ?             ?       ?  ?          11   55.040    25  0.30    39  0.63  molprobity  1.000  
217  217  ?             ?       ?  ?          12   59.700    22  0.24    34  0.62  molprobity  1.000  
218  218  ?             ?       ?  ?          11   63.290    24  0.40    37  0.72  molprobity  1.000  
219  219  ?             ?       ?  ?          11   73.520    24  0.33    37  0.68  molprobity  1.000  
220  220  ?             ?       ?  ?          12   70.920    22  0.33    34  0.80  molprobity  1.000  
221  221  ?             ?       ?  ?          11   70.050    24  0.23    37  0.60  molprobity  1.000  
222  222  ?             ?       ?  ?          12   82.130    22  0.30    34  0.75  molprobity  1.000  
223  223  ?             ?       ?  ?          11   75.120    24  0.38    37  0.49  molprobity  1.000  
224  224  ?             ?       ?  ?          12   92.120    24  0.28    35  0.54  molprobity  1.000  
225  225  ?             ?       ?  ?           ?   27.420     ?     ?     ?     ?  ?           1.000  
226  226  ?             ?       ?  ?           ?   61.530     ?     ?     ?     ?  ?           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   28  O        1  0.40  2.21  
 2   31  HD2      1  0.40  2.21  
 3   33  HB       2  0.55  2.07  
 4   67  HB3      3  0.44  2.17  
 5   91  NH1      4  0.45  2.49  
 6  120  CG2      5  0.52  2.58  
 7  120  HG22     6  0.50  2.12  
 8  120  HB       7  0.47  2.13  
 9  132  HG21     8  0.43  2.00  
10  147  HB1      8  0.43  2.00  
11  165  OG       3  0.44  2.17  
12  175  C6       9  0.46  2.50  
13  175  "H2''"  10  0.46  2.16  
14  176  H72      9  0.46  2.50  
15  176  OP2     10  0.46  2.16  
16  179  "H2''"  11  0.41  2.21  
17  180  "H2'"   12  0.52  1.91  
18  180  OP2      5  0.52  2.58  
19  180  OP2      6  0.50  2.12  
20  180  OP2      7  0.47  2.13  
21  180  "O5'"   11  0.41  2.21  
22  181  H71     12  0.52  1.91  
23  181  C2      13  0.41  2.89  
24  182  N7      13  0.41  2.89  
25  190  "H2''"  14  0.63  2.34  
26  191  C8      14  0.63  2.34  
27  191  "C2'"   15  0.43  2.49  
28  192  H72     15  0.43  2.49  
29  200  "H4'"   16  0.51  2.09  
30  201  OP1     16  0.51  2.09  
31  205  OP2      2  0.55  2.07  
32  205  "C2'"   17  0.42  2.49  
33  206  H71     17  0.42  2.49  
34  207  "H1'"   18  0.41  2.01  
35  208  "H5'"   18  0.41  2.01  
36  210  "H2''"  19  0.46  2.16  
37  211  OP2     19  0.46  2.16  
38  215  OP1      4  0.45  2.49  
39  216  "H2'"   20  0.45  1.98  
40  216  "C2'"   21  0.44  2.47  
41  217  H72     20  0.45  1.98  
42  217  H72     21  0.44  2.47  
#
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  0.945  0.176   0.366  
  2    2   9  0.952  0.177  -0.145  
  3    3  11  0.974  0.164   0.097  
  4    4  11  0.953  0.191   0.101  
  5    5   9  0.970  0.129  -0.639  
  6    6   8  0.984  0.186   0.295  
  7    7   9  0.932  0.203   0.056  
  8    8  12  0.975  0.142  -0.190  
  9    9  11  0.981  0.159   0.013  
 10   10   8  0.977  0.179   0.219  
 11   11   5  0.961  0.177   0.459  
 12   12   7  0.967  0.164   0.069  
 13   13   5  0.964  0.129  -0.319  
 14   14   9  0.938  0.222   0.414  
 15   15   5  0.971  0.108  -0.660  
 16   16   4  0.947  0.120  -0.372  
 17   17   8  0.952  0.147  -0.191  
 18   18   8  0.985  0.158   0.072  
 19   19   5  0.953  0.116  -0.530  
 20   20   5  0.969  0.182   0.540  
 21   21   5  0.963  0.138  -0.173  
 22   22   5  0.968  0.143  -0.092  
 23   23   9  0.933  0.164  -0.428  
 24   24  11  0.960  0.137  -0.615  
 25   25   8  0.935  0.182   0.230  
 26   26  10  0.960  0.141  -0.227  
 27   27   7  0.950  0.183   0.387  
 28   28   6  0.964  0.121  -0.458  
 29   29   9  0.938  0.127  -0.667  
 30   30   7  0.975  0.178   0.469  
 31   31   7  0.974  0.140  -0.125  
 32   32   8  0.973  0.147  -0.316  
 33   33   7  0.956  0.170   0.292  
 34   34  11  0.962  0.160  -0.310  
 35   35   9  0.980  0.183   0.095  
 36   36   8  0.956  0.129  -0.402  
 37   37   9  0.971  0.172  -0.054  
 38   38   5  0.969  0.170   0.345  
 39   39   8  0.980  0.131  -0.602  
 40   40   9  0.939  0.180  -0.108  
 41   41   5  0.966  0.188   0.637  
 42   42   8  0.933  0.199   0.511  
 43   43   8  0.934  0.166  -0.031  
 44   44   4  0.968  0.148   0.040  
 45   45   7  0.971  0.159  -0.015  
 46   46   7  0.908  0.165   0.085  
 47   47   8  0.930  0.156  -0.194  
 48   48   8  0.955  0.175   0.116  
 49   49   9  0.898  0.271   1.022  
 50   50  11  0.923  0.192   0.114  
 51   51   6  0.811  0.137  -0.210  
 52   52  10  0.820  0.264   1.623  
 53   53  11  0.914  0.182  -0.019  
 54   54   4  0.947  0.302   2.304  
 55   55   8  0.958  0.172   0.102  
 56   56   5  0.910  0.115  -0.916  
 57   57   8  0.923  0.173   0.083  
 58   58   7  0.952  0.124  -0.455  
 59   59   5  0.972  0.141  -0.125  
 60   60   5  0.973  0.128  -0.335  
 61   61   4  0.948  0.182   0.540  
 62   62  10  0.975  0.130  -0.392  
 63   63   5  0.966  0.132  -0.271  
 64   64  11  0.980  0.191   0.549  
 65   65   8  0.972  0.139  -0.471  
 66   66   9  0.913  0.215   0.327  
 67   67   8  0.963  0.162  -0.010  
 68   68   5  0.953  0.142  -0.109  
 69   69  11  0.958  0.159  -0.324  
 70   70  11  0.960  0.150  -0.443  
 71   71   8  0.978  0.163  -0.048  
 72   72   8  0.969  0.169   0.018  
 73   73   9  0.949  0.194   0.066  
 74   74   8  0.980  0.175   0.116  
 75   75   5  0.961  0.167   0.297  
 76   76   4  0.957  0.130  -0.225  
 77   77  11  0.925  0.178  -0.072  
 78   78   6  0.951  0.144  -0.101  
 79   79   4  0.932  0.155   0.143  
 80   80   8  0.956  0.179   0.230  
 81   81  11  0.944  0.199   0.207  
 82   82   6  0.921  0.126  -0.380  
 83   83  11  0.953  0.161  -0.297  
 84   84   5  0.946  0.129  -0.319  
 85   85   5  0.949  0.132  -0.271  
 86   86   5  0.906  0.142  -0.109  
 87   87   5  0.671  0.241   0.764  
 88   88   8  0.965  0.159   0.088  
 89   89   9  0.921  0.214   0.314  
 90   90  11  0.973  0.240   1.370  
 91   91  11  0.959  0.164  -0.257  
 92   92   9  0.974  0.150  -0.354  
 93   93   8  0.958  0.184   0.263  
 94   94   9  0.945  0.198  -0.006  
 95   95  12  0.955  0.149  -0.067  
 96   96  11  0.964  0.159   0.013  
 97   97   8  0.985  0.167   0.018  
 98   98   5  0.973  0.147  -0.028  
 99   99   7  0.976  0.154  -0.099  
100  100   5  0.967  0.107  -0.676  
101  101   9  0.966  0.142  -0.580  
102  102   5  0.971  0.166   0.280  
103  103   4  0.969  0.121  -0.357  
104  104   8  0.965  0.145  -0.220  
105  105   8  0.983  0.170   0.268  
106  106   5  0.984  0.169   0.329  
107  107   5  0.967  0.208   0.961  
108  108   5  0.967  0.154   0.086  
109  109   5  0.970  0.144  -0.076  
110  110   9  0.932  0.196  -0.031  
111  111  11  0.951  0.178  -0.072  
112  112   8  0.953  0.168   0.002  
113  113  10  0.967  0.145  -0.167  
114  114   7  0.964  0.143  -0.283  
115  115   6  0.966  0.160   0.148  
116  116   9  0.971  0.126  -0.680  
117  117   7  0.954  0.189   0.641  
118  118   7  0.963  0.142  -0.094  
119  119   8  0.960  0.187   0.353  
120  120   7  0.948  0.169   0.276  
121  121  11  0.965  0.160  -0.310  
122  122   9  0.965  0.229   0.721  
123  123   8  0.978  0.118  -0.582  
124  124   9  0.961  0.140  -0.490  
125  125   5  0.962  0.135  -0.222  
126  126   8  0.966  0.164  -0.064  
127  127   9  0.943  0.166  -0.282  
128  128   5  0.974  0.221   1.172  
129  129   8  0.913  0.187   0.342  
130  130   8  0.940  0.183   0.246  
131  131   4  0.891  0.169   0.349  
132  132   7  0.964  0.204   0.739  
133  133   7  0.962  0.116  -0.735  
134  134   8  0.946  0.203   0.573  
135  135   8  0.961  0.151  -0.276  
136  136   9  0.897  0.266   0.960  
137  137  11  0.951  0.164  -0.257  
138  138   6  0.960  0.115  -0.551  
139  139  10  0.887  0.210   0.811  
140  140   5  0.916  0.121  -0.828  
141  141   4  0.965  0.130  -0.225  
142  142   8  0.951  0.126  -0.667  
143  143   5  0.859  0.125  -0.791  
144  144   8  0.957  0.127  -0.667  
145  145   7  0.944  0.150  -0.032  
146  146   5  0.969  0.124  -0.400  
147  147   5  0.982  0.137  -0.190  
148  148   4  0.929  0.126  -0.284  
149  149  10  0.945  0.139  -0.257  
150  150   5  0.956  0.165   0.264  
151  151  11  0.964  0.151  -0.121  
152  152   8  0.973  0.169   0.018  
153  153   9  0.909  0.199   0.128  
154  154   8  0.965  0.165   0.032  
155  155   5  0.985  0.191   0.686  
156  156  11  0.965  0.147  -0.483  
157  157  11  0.960  0.156  -0.363  
158  158   8  0.973  0.158  -0.132  
159  159   8  0.959  0.197   0.475  
160  160   9  0.933  0.198   0.116  
161  161   8  0.981  0.164  -0.064  
162  162   5  0.974  0.166   0.280  
163  163   4  0.974  0.138  -0.107  
164  164  11  0.955  0.161  -0.297  
165  165   6  0.938  0.165   0.225  
166  166   4  0.973  0.141  -0.063  
167  167   8  0.955  0.133  -0.418  
168  168  11  0.954  0.175  -0.111  
169  169   6  0.923  0.152   0.023  
170  170  11  0.964  0.178  -0.072  
171  171   5  0.971  0.138  -0.173  
172  172   5  0.946  0.128  -0.335  
173  173   5  0.905  0.116  -0.530  
174  174   5  0.569  0.271   1.162  
175  175  16  0.866  0.227   1.063  
176  176  20  0.907  0.169  -0.032  
177  177  21  0.880  0.139  -0.419  
178  178  20  0.915  0.171  -0.004  
179  179  21  0.962  0.165  -0.023  
180  180  20  0.965  0.149  -0.315  
181  181  20  0.958  0.161  -0.145  
182  182  21  0.941  0.147  -0.297  
183  183  19  0.940  0.133  -0.488  
184  184  22  0.930  0.122  -0.665  
185  185  19  0.883  0.143  -0.323  
186  186  21  0.886  0.188   0.328  
187  187  21  0.926  0.131  -0.541  
188  188  21  0.915  0.161  -0.084  
189  189  19  0.879  0.141  -0.356  
190  190  19  0.880  0.161  -0.026  
191  191  22  0.951  0.124  -0.630  
192  192  20  0.952  0.147  -0.343  
193  193  21  0.941  0.142  -0.373  
194  194  21  0.919  0.114  -0.800  
195  195  19  0.920  0.117  -0.752  
196  196  22  0.939  0.151  -0.155  
197  197  21  0.911  0.140  -0.404  
198  198  20  0.877  0.149  -0.315  
199  199  22  0.859  0.162   0.039  
200  200  16  0.864  0.212   0.815  
201  201  21  0.873  0.134  -0.495  
202  202  20  0.899  0.162  -0.131  
203  203  19  0.918  0.154  -0.142  
204  204  22  0.963  0.163   0.056  
205  205  20  0.972  0.149  -0.315  
206  206  20  0.956  0.146  -0.357  
207  207  21  0.944  0.132  -0.526  
208  208  19  0.934  0.135  -0.455  
209  209  22  0.877  0.160   0.004  
210  210  22  0.882  0.155  -0.085  
211  211  20  0.886  0.151  -0.287  
212  212  20  0.919  0.130  -0.583  
213  213  20  0.903  0.171  -0.004  
214  214  22  0.863  0.174   0.250  
215  215  19  0.849  0.182   0.320  
216  216  22  0.957  0.148  -0.208  
217  217  20  0.963  0.140  -0.442  
218  218  21  0.945  0.138  -0.434  
219  219  21  0.913  0.137  -0.450  
220  220  20  0.933  0.160  -0.160  
221  221  21  0.921  0.146  -0.313  
222  222  20  0.907  0.147  -0.343  
223  223  21  0.900  0.164  -0.038  
224  224  22  0.849  0.204   0.778  
225  225   1  0.959  0.139       ?  
226  226   1  0.864  0.499       ?  
#
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          2.36                                                                  Y  
3  dcc          '"2.27  (2023-04-10)"'                                                Y  
4  xtriage      1.13                                                                  Y  
5  percentiles  "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
