data_4RBT

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  4RBT
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    4RBT
_pdbx_vrpt_summary.PDB_deposition_date         2014-09-12
_pdbx_vrpt_summary.PDB_revision_number         4
_pdbx_vrpt_summary.PDB_revision_date           2023-09-20
_pdbx_vrpt_summary.report_creation_date        2023-09-13:12:05
_pdbx_vrpt_summary.attempted_validation_steps  molprobity,validation-pack,xtriage,eds,mogul,percentiles,writexml,writecif,writepdf
_pdbx_vrpt_summary.ligands_for_buster_report   N
#
loop_
_pdbx_vrpt_entity.id
_pdbx_vrpt_entity.type
_pdbx_vrpt_entity.description
1  polymer      "Propanediol utilization protein PduA"  
2  non-polymer  "SULFATE ION"  
3  water        water  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  1  
C  1  
D  2  
E  3  
F  3  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all  x-ray  
2  2.3  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   84.47  141614     ?     ?  
 2  2  1   89.69    5643  2.30  2.30  
 3  1  2  100.00  138981     ?     ?  
 4  2  2  100.00    5575  2.30  2.30  
 5  1  3   18.41  138945     ?     ?  
 6  2  3   25.43    5575  2.30  2.30  
 7  1  4    6.23  127900     ?     ?  
 8  2  4    8.85    4938  2.30  2.30  
 9  1  5   12.99  130704     ?     ?  
10  2  5   15.13    5042  2.30  2.30  
#
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   23.53  
 4  6  3  A  1  1  A   33.02  
 5  7  4  A  1  1  A   12.30  
 6  8  4  A  1  1  A   16.52  
 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   20.31  
10  6  3  B  1  1  B   28.18  
11  7  4  B  1  1  B   10.40  
12  8  4  B  1  1  B   14.42  
13  3  2  C  1  1  C  100.00  
14  4  2  C  1  1  C  100.00  
15  5  3  C  1  1  C   13.15  
16  6  3  C  1  1  C   16.91  
17  7  4  C  1  1  C    2.01  
18  8  4  C  1  1  C    3.02  
#
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  0.70  0.48  619  843  
2  1  1  B  B  0.73  0.51  564  766  
3  1  1  C  C  0.72  0.49  564  765  
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  0.00
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       6.06
_pdbx_vrpt_summary_geometry.clashscore                     2.25
_pdbx_vrpt_summary_geometry.num_H_reduce                   1815
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 1747
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.49
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                2374
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.72
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.Babinet_b                 99.237
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            44.542
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         48.127
_pdbx_vrpt_summary_diffraction.I_over_sigma              1.02(2.29A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        11771
_pdbx_vrpt_summary_diffraction.Babinet_k                 0.409
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.325
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.489
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.323
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.948
_pdbx_vrpt_summary_diffraction.DCC_R                     0.25
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.28
_pdbx_vrpt_summary_diffraction.EDS_R                     0.25
_pdbx_vrpt_summary_diffraction.EDS_res_high              2.30
_pdbx_vrpt_summary_diffraction.EDS_res_low               54.13
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[38.147,38.147,78.474,-0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.782
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The analyses of the Patterson function reveals a significant off-origin peak that is 23.49 % of the origin peak, indicating pseudo-translational symmetry.  The chance of finding a peak of this or larger height by random in a structure without pseudo-translational symmetry is equal to 4.6119e-03. The detected translational NCS is most likely also responsible for the elevated intensity ratio.  See the relevant section of the logfile for more details."
_pdbx_vrpt_summary_diffraction.B_factor_type             FULL
_pdbx_vrpt_summary_diffraction.acentric_outliers         7
_pdbx_vrpt_summary_diffraction.centric_outliers          5
_pdbx_vrpt_summary_diffraction.data_completeness         98.64
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      1178
_pdbx_vrpt_summary_diffraction.percent_free_reflections  10.01
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     10.28
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       2.30
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        54.13
_pdbx_vrpt_summary_diffraction.PDB_R                     0.23
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.27
#
loop_
_pdbx_vrpt_model_instance.id
_pdbx_vrpt_model_instance.PDB_model_num
_pdbx_vrpt_model_instance.entity_id
_pdbx_vrpt_model_instance.label_asym_id
_pdbx_vrpt_model_instance.label_seq_id
_pdbx_vrpt_model_instance.label_comp_id
_pdbx_vrpt_model_instance.auth_asym_id
_pdbx_vrpt_model_instance.auth_seq_id
_pdbx_vrpt_model_instance.label_alt_id
_pdbx_vrpt_model_instance.PDB_ins_code
_pdbx_vrpt_model_instance.count_clashes
  1  1  1  A   8  GLN  A    2  .  ?        ?  
  2  1  1  A   9  GLN  A    3  .  ?        1  
  3  1  1  A  10  GLU  A    4  .  ?        ?  
  4  1  1  A  11  ALA  A    5  .  ?        ?  
  5  1  1  A  12  LEU  A    6  .  ?        ?  
  6  1  1  A  13  GLY  A    7  .  ?        ?  
  7  1  1  A  14  MET  A    8  .  ?        ?  
  8  1  1  A  15  VAL  A    9  .  ?        ?  
  9  1  1  A  16  GLU  A   10  .  ?        ?  
 10  1  1  A  17  THR  A   11  .  ?        ?  
 11  1  1  A  18  LYS  A   12  .  ?        ?  
 12  1  1  A  19  GLY  A   13  .  ?        ?  
 13  1  1  A  20  LEU  A   14  .  ?        ?  
 14  1  1  A  21  THR  A   15  .  ?        ?  
 15  1  1  A  22  ALA  A   16  .  ?        ?  
 16  1  1  A  23  ALA  A   17  .  ?        ?  
 17  1  1  A  24  ILE  A   18  .  ?        ?  
 18  1  1  A  25  GLU  A   19  .  ?        ?  
 19  1  1  A  26  ALA  A   20  .  ?        ?  
 20  1  1  A  27  ALA  A   21  .  ?        ?  
 21  1  1  A  28  ASP  A   22  .  ?        ?  
 22  1  1  A  29  ALA  A   23  .  ?        ?  
 23  1  1  A  30  MET  A   24  .  ?        ?  
 24  1  1  A  31  VAL  A   25  .  ?        ?  
 25  1  1  A  32  ALA  A   26  .  ?        ?  
 26  1  1  A  33  SER  A   27  .  ?        ?  
 27  1  1  A  34  ALA  A   28  .  ?        ?  
 28  1  1  A  35  ASN  A   29  .  ?        ?  
 29  1  1  A  36  VAL  A   30  .  ?        ?  
 30  1  1  A  37  MET  A   31  .  ?        ?  
 31  1  1  A  38  LEU  A   32  .  ?        ?  
 32  1  1  A  39  VAL  A   33  .  ?        ?  
 33  1  1  A  40  GLY  A   34  .  ?        ?  
 34  1  1  A  41  TYR  A   35  .  ?        ?  
 35  1  1  A  42  GLU  A   36  .  ?        ?  
 36  1  1  A  43  LYS  A   37  .  ?        ?  
 37  1  1  A  44  ILE  A   38  .  ?        ?  
 38  1  1  A  45  GLY  A   39  .  ?        ?  
 39  1  1  A  46  LEU  A   40  .  ?        1  
 40  1  1  A  47  GLY  A   41  .  ?        ?  
 41  1  1  A  48  LEU  A   42  .  ?        ?  
 42  1  1  A  49  VAL  A   43  .  ?        ?  
 43  1  1  A  50  THR  A   44  .  ?        ?  
 44  1  1  A  51  VAL  A   45  .  ?        ?  
 45  1  1  A  52  ILE  A   46  .  ?        ?  
 46  1  1  A  53  VAL  A   47  .  ?        ?  
 47  1  1  A  54  ARG  A   48  .  ?        ?  
 48  1  1  A  55  GLY  A   49  .  ?        ?  
 49  1  1  A  56  ASP  A   50  .  ?        1  
 50  1  1  A  57  VAL  A   51  .  ?        ?  
 51  1  1  A  58  GLY  A   52  .  ?        ?  
 52  1  1  A  59  ALA  A   53  .  ?        ?  
 53  1  1  A  60  VAL  A   54  .  ?        ?  
 54  1  1  A  61  LYS  A   55  .  ?        ?  
 55  1  1  A  62  ALA  A   56  .  ?        ?  
 56  1  1  A  63  ALA  A   57  .  ?        ?  
 57  1  1  A  64  THR  A   58  .  ?        ?  
 58  1  1  A  65  ASP  A   59  .  ?        ?  
 59  1  1  A  66  ALA  A   60  .  ?        ?  
 60  1  1  A  67  GLY  A   61  .  ?        ?  
 61  1  1  A  68  ALA  A   62  .  ?        ?  
 62  1  1  A  69  ALA  A   63  .  ?        ?  
 63  1  1  A  70  ALA  A   64  .  ?        ?  
 64  1  1  A  71  ALA  A   65  .  ?        ?  
 65  1  1  A  72  ARG  A   66  .  ?        ?  
 66  1  1  A  73  ASN  A   67  .  ?        ?  
 67  1  1  A  74  VAL  A   68  .  ?        ?  
 68  1  1  A  75  GLY  A   69  .  ?        ?  
 69  1  1  A  76  GLU  A   70  .  ?        ?  
 70  1  1  A  77  VAL  A   71  .  ?        ?  
 71  1  1  A  78  LYS  A   72  .  ?        ?  
 72  1  1  A  79  ALA  A   73  .  ?        ?  
 73  1  1  A  80  VAL  A   74  .  ?        ?  
 74  1  1  A  81  HIS  A   75  .  ?        ?  
 75  1  1  A  82  VAL  A   76  .  ?        ?  
 76  1  1  A  83  ILE  A   77  .  ?        ?  
 77  1  1  A  84  PRO  A   78  .  ?        ?  
 78  1  1  A  85  ARG  A   79  .  ?        ?  
 79  1  1  A  86  PRO  A   80  .  ?        ?  
 80  1  1  A  87  HIS  A   81  .  ?        ?  
 81  1  1  A  88  THR  A   82  .  ?        ?  
 82  1  1  A  89  ASP  A   83  .  ?        ?  
 83  1  1  A  90  VAL  A   84  .  ?        ?  
 84  1  1  A  91  GLU  A   85  .  ?        ?  
 85  1  1  A  92  LYS  A   86  .  ?        ?  
 86  1  1  A  93  ILE  A   87  .  ?        1  
 87  1  1  A  94  LEU  A   88  .  ?        ?  
 88  1  1  A  95  PRO  A   89  .  ?        ?  
 89  1  1  A  96  LYS  A   90  .  ?        ?  
 90  1  1  B  10  GLU  B    4  .  ?        ?  
 91  1  1  B  11  ALA  B    5  .  ?        ?  
 92  1  1  B  12  LEU  B    6  .  ?        ?  
 93  1  1  B  13  GLY  B    7  .  ?        ?  
 94  1  1  B  14  MET  B    8  .  ?        ?  
 95  1  1  B  15  VAL  B    9  .  ?        ?  
 96  1  1  B  16  GLU  B   10  .  ?        ?  
 97  1  1  B  17  THR  B   11  .  ?        ?  
 98  1  1  B  18  LYS  B   12  .  ?        ?  
 99  1  1  B  19  GLY  B   13  .  ?        ?  
100  1  1  B  20  LEU  B   14  .  ?        ?  
101  1  1  B  21  THR  B   15  .  ?        1  
102  1  1  B  22  ALA  B   16  .  ?        ?  
103  1  1  B  23  ALA  B   17  .  ?        ?  
104  1  1  B  24  ILE  B   18  .  ?        ?  
105  1  1  B  25  GLU  B   19  .  ?        ?  
106  1  1  B  26  ALA  B   20  .  ?        1  
107  1  1  B  27  ALA  B   21  .  ?        ?  
108  1  1  B  28  ASP  B   22  .  ?        1  
109  1  1  B  29  ALA  B   23  .  ?        ?  
110  1  1  B  30  MET  B   24  .  ?        2  
111  1  1  B  31  VAL  B   25  .  ?        ?  
112  1  1  B  32  ALA  B   26  .  ?        ?  
113  1  1  B  33  SER  B   27  .  ?        ?  
114  1  1  B  34  ALA  B   28  .  ?        ?  
115  1  1  B  35  ASN  B   29  .  ?        ?  
116  1  1  B  36  VAL  B   30  .  ?        ?  
117  1  1  B  37  MET  B   31  .  ?        ?  
118  1  1  B  38  LEU  B   32  .  ?        ?  
119  1  1  B  39  VAL  B   33  .  ?        ?  
120  1  1  B  40  GLY  B   34  .  ?        ?  
121  1  1  B  41  TYR  B   35  .  ?        ?  
122  1  1  B  42  GLU  B   36  .  ?        ?  
123  1  1  B  43  LYS  B   37  .  ?        ?  
124  1  1  B  44  ILE  B   38  .  ?        ?  
125  1  1  B  45  GLY  B   39  .  ?        ?  
126  1  1  B  46  LEU  B   40  .  ?        1  
127  1  1  B  47  GLY  B   41  .  ?        ?  
128  1  1  B  48  LEU  B   42  .  ?        ?  
129  1  1  B  49  VAL  B   43  .  ?        ?  
130  1  1  B  50  THR  B   44  .  ?        ?  
131  1  1  B  51  VAL  B   45  .  ?        ?  
132  1  1  B  52  ILE  B   46  .  ?        ?  
133  1  1  B  53  VAL  B   47  .  ?        ?  
134  1  1  B  54  ARG  B   48  .  ?        ?  
135  1  1  B  55  GLY  B   49  .  ?        ?  
136  1  1  B  56  ASP  B   50  .  ?        ?  
137  1  1  B  57  VAL  B   51  .  ?        ?  
138  1  1  B  58  GLY  B   52  .  ?        ?  
139  1  1  B  59  ALA  B   53  .  ?        ?  
140  1  1  B  60  VAL  B   54  .  ?        ?  
141  1  1  B  61  LYS  B   55  .  ?        ?  
142  1  1  B  62  ALA  B   56  .  ?        ?  
143  1  1  B  63  ALA  B   57  .  ?        1  
144  1  1  B  64  THR  B   58  .  ?        ?  
145  1  1  B  65  ASP  B   59  .  ?        ?  
146  1  1  B  66  ALA  B   60  .  ?        ?  
147  1  1  B  67  GLY  B   61  .  ?        ?  
148  1  1  B  68  ALA  B   62  .  ?        ?  
149  1  1  B  69  ALA  B   63  .  ?        ?  
150  1  1  B  70  ALA  B   64  .  ?        ?  
151  1  1  B  71  ALA  B   65  .  ?        ?  
152  1  1  B  72  ARG  B   66  .  ?        ?  
153  1  1  B  73  ASN  B   67  .  ?        ?  
154  1  1  B  74  VAL  B   68  .  ?        1  
155  1  1  B  75  GLY  B   69  .  ?        ?  
156  1  1  B  76  GLU  B   70  .  ?        ?  
157  1  1  B  77  VAL  B   71  .  ?        ?  
158  1  1  B  78  LYS  B   72  .  ?        ?  
159  1  1  B  79  ALA  B   73  .  ?        ?  
160  1  1  B  80  VAL  B   74  .  ?        ?  
161  1  1  B  81  HIS  B   75  .  ?        ?  
162  1  1  B  82  VAL  B   76  .  ?        ?  
163  1  1  B  83  ILE  B   77  .  ?        ?  
164  1  1  B  84  PRO  B   78  .  ?        ?  
165  1  1  B  85  ARG  B   79  .  ?        ?  
166  1  1  B  86  PRO  B   80  .  ?        ?  
167  1  1  B  91  GLU  B   85  .  ?        ?  
168  1  1  B  92  LYS  B   86  .  ?        ?  
169  1  1  B  93  ILE  B   87  .  ?        ?  
170  1  1  B  94  LEU  B   88  .  ?        ?  
171  1  1  B  95  PRO  B   89  .  ?        ?  
172  1  1  C  10  GLU  C    4  .  ?        ?  
173  1  1  C  11  ALA  C    5  .  ?        ?  
174  1  1  C  12  LEU  C    6  .  ?        ?  
175  1  1  C  13  GLY  C    7  .  ?        ?  
176  1  1  C  14  MET  C    8  .  ?        ?  
177  1  1  C  15  VAL  C    9  .  ?        ?  
178  1  1  C  16  GLU  C   10  .  ?        ?  
179  1  1  C  17  THR  C   11  .  ?        ?  
180  1  1  C  18  LYS  C   12  .  ?        ?  
181  1  1  C  19  GLY  C   13  .  ?        ?  
182  1  1  C  20  LEU  C   14  .  ?        ?  
183  1  1  C  21  THR  C   15  .  ?        ?  
184  1  1  C  22  ALA  C   16  .  ?        ?  
185  1  1  C  23  ALA  C   17  .  ?        ?  
186  1  1  C  24  ILE  C   18  .  ?        ?  
187  1  1  C  25  GLU  C   19  .  ?        ?  
188  1  1  C  26  ALA  C   20  .  ?        ?  
189  1  1  C  27  ALA  C   21  .  ?        ?  
190  1  1  C  28  ASP  C   22  .  ?        ?  
191  1  1  C  29  ALA  C   23  .  ?        ?  
192  1  1  C  30  MET  C   24  .  ?        1  
193  1  1  C  31  VAL  C   25  .  ?        ?  
194  1  1  C  32  ALA  C   26  .  ?        ?  
195  1  1  C  33  SER  C   27  .  ?        ?  
196  1  1  C  34  ALA  C   28  .  ?        ?  
197  1  1  C  35  ASN  C   29  .  ?        ?  
198  1  1  C  36  VAL  C   30  .  ?        ?  
199  1  1  C  37  MET  C   31  .  ?        ?  
200  1  1  C  38  LEU  C   32  .  ?        ?  
201  1  1  C  39  VAL  C   33  .  ?        ?  
202  1  1  C  40  GLY  C   34  .  ?        ?  
203  1  1  C  41  TYR  C   35  .  ?        ?  
204  1  1  C  42  GLU  C   36  .  ?        ?  
205  1  1  C  43  LYS  C   37  .  ?        ?  
206  1  1  C  44  ILE  C   38  .  ?        ?  
207  1  1  C  45  GLY  C   39  .  ?        ?  
208  1  1  C  46  LEU  C   40  .  ?        ?  
209  1  1  C  47  GLY  C   41  .  ?        ?  
210  1  1  C  48  LEU  C   42  .  ?        ?  
211  1  1  C  49  VAL  C   43  .  ?        ?  
212  1  1  C  50  THR  C   44  .  ?        ?  
213  1  1  C  51  VAL  C   45  .  ?        ?  
214  1  1  C  52  ILE  C   46  .  ?        ?  
215  1  1  C  53  VAL  C   47  .  ?        ?  
216  1  1  C  54  ARG  C   48  .  ?        1  
217  1  1  C  55  GLY  C   49  .  ?        ?  
218  1  1  C  56  ASP  C   50  .  ?        ?  
219  1  1  C  57  VAL  C   51  .  ?        ?  
220  1  1  C  58  GLY  C   52  .  ?        ?  
221  1  1  C  59  ALA  C   53  .  ?        ?  
222  1  1  C  60  VAL  C   54  .  ?        ?  
223  1  1  C  61  LYS  C   55  .  ?        ?  
224  1  1  C  62  ALA  C   56  .  ?        ?  
225  1  1  C  63  ALA  C   57  .  ?        1  
226  1  1  C  64  THR  C   58  .  ?        ?  
227  1  1  C  65  ASP  C   59  .  ?        ?  
228  1  1  C  66  ALA  C   60  .  ?        ?  
229  1  1  C  67  GLY  C   61  .  ?        ?  
230  1  1  C  68  ALA  C   62  .  ?        ?  
231  1  1  C  69  ALA  C   63  .  ?        ?  
232  1  1  C  70  ALA  C   64  .  ?        ?  
233  1  1  C  71  ALA  C   65  .  ?        ?  
234  1  1  C  72  ARG  C   66  .  ?        ?  
235  1  1  C  73  ASN  C   67  .  ?        ?  
236  1  1  C  74  VAL  C   68  .  ?        ?  
237  1  1  C  75  GLY  C   69  .  ?        ?  
238  1  1  C  76  GLU  C   70  .  ?        ?  
239  1  1  C  77  VAL  C   71  .  ?        ?  
240  1  1  C  78  LYS  C   72  .  ?        ?  
241  1  1  C  79  ALA  C   73  .  ?        ?  
242  1  1  C  80  VAL  C   74  .  ?        ?  
243  1  1  C  81  HIS  C   75  .  ?        ?  
244  1  1  C  82  VAL  C   76  .  ?        ?  
245  1  1  C  83  ILE  C   77  .  ?        ?  
246  1  1  C  84  PRO  C   78  .  ?        ?  
247  1  1  C  85  ARG  C   79  .  ?        ?  
248  1  1  C  90  VAL  C   84  .  ?        1  
249  1  1  C  91  GLU  C   85  .  ?        ?  
250  1  1  C  92  LYS  C   86  .  ?        ?  
251  1  1  C  93  ILE  C   87  .  ?        ?  
252  1  1  C  94  LEU  C   88  .  ?        ?  
253  1  1  C  95  PRO  C   89  .  ?        ?  
254  1  2  D   .  SO4  A  101  .  ?        ?  
255  1  3  E   .  HOH  A  201  .  ?        ?  
256  1  3  E   .  HOH  A  202  .  ?        ?  
257  1  3  F   .  HOH  C  101  .  ?        ?  
258  1  3  F   .  HOH  C  102  .  ?        ?  
#
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  ?             ?       ?  ?           1   96.270     5  0.61     7  1.32  molprobity  1.000  
  2    2  tp-100   -136.4   -57.7  Allowed     8  111.990     9  0.65    12  1.15  molprobity  1.000  
  3    3  mm-40     -91.7   143.5  Favored     6   97.260     9  0.34    12  0.39  molprobity  1.000  
  4    4  ?        -153.7   155.9  Favored     5   75.030     5  0.36     7  0.93  molprobity  1.000  
  5    5  mt       -109.3   141.9  Favored    11   64.080     8  0.42    11  0.76  molprobity  1.000  
  6    6  ?        -129.9   145.5  Favored     3   68.510     4  0.73     5  0.78  molprobity  1.000  
  7    7  OUTLIER  -144.5   146.1  Favored     9   73.970     8  0.64    10  1.16  molprobity  1.000  
  8    8  t        -127.7   119.4  Favored     9   66.940     7  0.53    10  1.00  molprobity  1.000  
  9    9  tt0      -108.5   124.0  Favored     6   73.740     9  0.18    12  0.48  molprobity  1.000  
 10   10  p        -125.0   160.7  Favored     7   65.340     7  0.63    10  0.77  molprobity  1.000  
 11   11  tttt      -99.5   107.6  Favored    13   84.180     9  0.46    11  1.07  molprobity  1.000  
 12   12  ?         113.0   145.4  Favored     3   70.470     4  0.32     5  0.40  molprobity  1.000  
 13   13  tp        -84.5   -33.9  Favored    11   71.840     8  0.49    11  0.67  molprobity  1.000  
 14   14  m         -59.6   -42.2  Favored     7   71.090     7  0.62    10  0.61  molprobity  1.000  
 15   15  ?         -65.5   -31.1  Favored     5   66.440     5  0.26     7  0.65  molprobity  1.000  
 16   16  ?         -73.5   -45.6  Favored     5   66.530     5  0.44     7  0.49  molprobity  1.000  
 17   17  mt        -64.7   -36.4  Favored    11   72.260     8  0.74    11  0.50  molprobity  1.000  
 18   18  tp10      -65.7   -42.5  Favored     6   86.640     9  0.36    12  0.77  molprobity  1.000  
 19   19  ?         -62.3   -52.2  Favored     5   75.080     5  0.51     7  0.67  molprobity  1.000  
 20   20  ?         -52.0   -44.0  Favored     5   74.460     5  0.62     7  0.51  molprobity  1.000  
 21   21  t70       -66.6   -48.0  Favored     4   80.260     8  0.28    11  0.46  molprobity  1.000  
 22   22  ?         -60.7   -37.8  Favored     5   74.810     5  0.39     7  0.30  molprobity  1.000  
 23   23  mtm       -62.9   -54.8  Favored     9   76.530     8  0.28    10  0.67  molprobity  1.000  
 24   24  t         -64.5   -30.1  Favored     9   80.350     7  0.53    10  1.06  molprobity  1.000  
 25   25  ?         -84.0   -28.8  Favored     5   85.330     5  0.50     7  0.63  molprobity  1.000  
 26   26  m         -83.7   -36.5  Favored     5   91.030     6  0.29     8  0.82  molprobity  1.000  
 27   27  ?        -137.7   166.5  Favored     5   87.530     5  0.18     7  0.86  molprobity  1.000  
 28   28  t-20      -76.8    61.6  Allowed     6  111.290     8  0.48    11  0.67  molprobity  1.000  
 29   29  m        -118.3   144.2  Favored     9   86.040     7  0.48    10  0.53  molprobity  1.000  
 30   30  ttt      -103.6   132.1  Favored     9   92.500     8  0.49    10  0.32  molprobity  1.000  
 31   31  tp        -72.7   123.3  Favored    11   78.850     8  0.51    11  0.57  molprobity  1.000  
 32   32  t         -83.1   -52.6  Favored     9   74.550     7  0.54    10  0.39  molprobity  1.000  
 33   33  ?         163.3  -166.5  Favored     3   68.890     4  0.19     5  0.84  molprobity  1.000  
 34   34  m-85     -119.4   156.7  Favored     9   72.370    13  0.44    18  0.45  molprobity  1.000  
 35   35  mm-40    -140.7   125.7  Favored     6   76.000     9  0.26    12  0.36  molprobity  1.000  
 36   36  mtmt     -102.6   125.8  Favored    13   72.940     9  0.28    11  0.75  molprobity  1.000  
 37   37  pt       -117.7     5.8  Favored    11   69.810     8  0.45    11  0.41  molprobity  1.000  
 38   38  ?          85.1   172.0  Favored     3   75.770     4  0.50     5  0.73  molprobity  1.000  
 39   39  tp         69.0    21.9  Favored    11   81.380     8  0.78    11  0.65  molprobity  1.000  
 40   40  ?          71.4    17.2  Favored     3   72.200     4  0.38     5  0.52  molprobity  1.000  
 41   41  mt        -93.3   127.1  Favored    11   69.250     8  0.35    11  0.81  molprobity  1.000  
 42   42  t        -127.5   131.6  Favored     9   64.130     7  0.57    10  0.55  molprobity  1.000  
 43   43  m        -111.5   128.5  Favored     7   66.630     7  0.50    10  0.68  molprobity  1.000  
 44   44  t        -103.9   127.5  Favored     9   65.680     7  0.38    10  0.72  molprobity  1.000  
 45   45  mt       -117.7   131.0  Favored    11   67.910     8  0.58    11  0.74  molprobity  1.000  
 46   46  m        -120.7   156.7  Favored     9   68.510     7  0.48    10  0.66  molprobity  1.000  
 47   47  ttt180   -134.5   138.3  Favored    13   89.710    11  0.25    14  0.41  molprobity  1.000  
 48   48  ?         169.0  -166.1  Favored     3   81.710     4  0.52     5  0.73  molprobity  1.000  
 49   49  OUTLIER   -64.6   142.0  Favored     4   96.860     8  0.58    11  0.43  molprobity  1.000  
 50   50  p         -47.1   -43.4  Favored     9   87.280     7  0.77    10  0.96  molprobity  1.000  
 51   51  ?         -66.0   -46.0  Favored     3   88.700     4  0.35     5  0.84  molprobity  1.000  
 52   52  ?         -66.3   -42.3  Favored     5   79.410     5  0.31     7  0.40  molprobity  1.000  
 53   53  t         -65.6   -41.9  Favored     9   78.670     7  0.39    10  0.77  molprobity  1.000  
 54   54  ttmt      -64.8   -38.8  Favored    13  105.500     9  0.55    11  0.39  molprobity  1.000  
 55   55  ?         -67.9   -40.7  Favored     5   89.210     5  0.67     7  0.40  molprobity  1.000  
 56   56  ?         -66.4   -48.1  Favored     5   81.290     5  0.52     7  0.36  molprobity  1.000  
 57   57  p         -60.7   -36.8  Favored     7   76.190     7  0.36    10  0.74  molprobity  1.000  
 58   58  m-20      -66.8   -38.1  Favored     4   90.350     8  0.42    11  0.58  molprobity  1.000  
 59   59  ?         -76.6   -37.2  Favored     5   75.590     5  0.54     7  0.41  molprobity  1.000  
 60   60  ?         -64.7   -46.2  Favored     3   68.260     4  0.55     5  0.76  molprobity  1.000  
 61   61  ?         -63.0   -44.6  Favored     5   73.650     5  0.60     7  0.55  molprobity  1.000  
 62   62  ?         -64.1   -39.4  Favored     5   80.180     5  0.39     7  0.46  molprobity  1.000  
 63   63  ?         -73.2   -42.2  Favored     5   76.770     5  0.47     7  0.39  molprobity  1.000  
 64   64  ?         -62.6   -40.5  Favored     5   74.090     5  0.58     7  0.73  molprobity  1.000  
 65   65  mtt180    -53.5   -29.1  Favored    13   99.770    11  0.31    14  0.50  molprobity  1.000  
 66   66  m-20      -76.4   -21.7  Favored     6   93.150     8  0.30    11  0.45  molprobity  1.000  
 67   67  t         -99.8   -52.5  Favored     9   87.480     7  0.40    10  0.19  molprobity  1.000  
 68   68  ?        -146.5  -161.2  Favored     3   86.700     4  0.38     5  0.68  molprobity  1.000  
 69   69  mt-10     -84.2   139.1  Favored     6   99.950     9  0.45    12  0.67  molprobity  1.000  
 70   70  t        -107.8   122.5  Favored     9   79.260     7  0.25    10  0.92  molprobity  1.000  
 71   71  mmmt      -95.6   -31.4  Favored    13   88.810     9  0.42    11  0.60  molprobity  1.000  
 72   72  ?        -154.2   147.3  Favored     5   67.040     5  0.40     7  0.85  molprobity  1.000  
 73   73  t        -139.2   119.3  Favored     9   69.570     7  0.51    10  0.85  molprobity  1.000  
 74   74  t-80     -150.8   148.1  Favored     7   72.310    11  0.27    15  0.81  molprobity  1.000  
 75   75  t        -123.4   127.7  Favored     9   70.820     7  0.52    10  0.57  molprobity  1.000  
 76   76  mt       -119.2   104.3  Favored    11   69.890     8  0.83    12  0.79  molprobity  1.000  
 77   77  Cg_exo    -66.1   138.4  Favored     7   77.850     8  0.80    11  0.67  molprobity  1.000  
 78   78  OUTLIER  -124.1   153.5  Favored    13   79.170    11  0.48    15  0.70  molprobity  1.000  
 79   79  Cg_exo    -61.4   -23.1  Favored     7   90.100     8  0.38    11  1.14  molprobity  1.000  
 80   80  ?          91.3   -12.5  Allowed     2  104.050     5  0.77     7  1.05  molprobity  1.000  
 81   81  t         -86.4   -44.7  Favored     7  115.080     7  0.40    10  0.77  molprobity  1.000  
 82   82  m-20     -140.9    65.4  Allowed     4  103.060     8  0.33    11  0.92  molprobity  1.000  
 83   83  t         -53.1   -47.6  Favored     9   81.550     7  0.45    10  0.46  molprobity  1.000  
 84   84  mt-10     -91.2    -2.4  Favored     6   82.760     9  0.40    12  0.65  molprobity  1.000  
 85   85  ?         -57.8   -32.9  Favored     2   78.540     5  0.48     7  0.78  molprobity  1.000  
 86   86  pt        -79.1   -12.2  Favored    11   68.700     8  0.38    11  0.62  molprobity  1.000  
 87   87  mt        -77.2   150.6  Favored    11   68.110     8  0.53    12  0.54  molprobity  1.000  
 88   88  Cg_exo    -63.1   -36.5  Favored     7   66.810     8  0.45    11  0.81  molprobity  1.000  
 89   89  ?             ?       ?  ?           2  106.250     4  0.89     4  1.43  molprobity  1.000  
 90   90  ?             ?       ?  ?           1   96.190     5  0.46     7  1.04  molprobity  1.000  
 91   91  ?         -70.8   157.8  Favored     5   79.670     5  0.16     7  0.99  molprobity  1.000  
 92   92  mt       -111.3   142.0  Favored    11   69.200     8  0.53    11  0.74  molprobity  1.000  
 93   93  ?        -133.5   141.8  Favored     3   70.450     4  0.30     5  0.55  molprobity  1.000  
 94   94  OUTLIER  -146.5   143.2  Favored     9   74.130     8  0.57    10  1.25  molprobity  1.000  
 95   95  t        -121.9   120.3  Favored     9   63.740     7  0.56    10  0.66  molprobity  1.000  
 96   96  tt0      -108.2   125.8  Favored     6   70.930     9  0.24    12  0.44  molprobity  1.000  
 97   97  p        -128.1   161.8  Favored     7   65.270     7  0.49    10  0.73  molprobity  1.000  
 98   98  tttt      -98.7   107.1  Favored    13   92.300     9  0.44    11  1.01  molprobity  1.000  
 99   99  ?         112.0   146.1  Favored     3   74.100     4  0.33     5  0.36  molprobity  1.000  
100  100  tp        -83.0   -33.6  Favored    11   76.590     8  0.43    11  0.54  molprobity  1.000  
101  101  m         -57.2   -44.4  Favored     7   73.110     7  0.66    10  0.63  molprobity  1.000  
102  102  ?         -65.3   -31.5  Favored     5   69.000     5  0.50     7  0.52  molprobity  1.000  
103  103  ?         -72.7   -45.4  Favored     5   69.320     5  0.75     7  0.56  molprobity  1.000  
104  104  mt        -65.3   -36.0  Favored    11   70.710     8  0.81    11  0.46  molprobity  1.000  
105  105  tp10      -64.8   -42.5  Favored     6   77.520     9  0.46    12  0.61  molprobity  1.000  
106  106  ?         -62.0   -53.0  Favored     5   69.340     5  0.73     7  0.65  molprobity  1.000  
107  107  ?         -52.7   -40.3  Favored     5   72.570     5  0.41     7  0.42  molprobity  1.000  
108  108  t70       -67.8   -47.2  Favored     4   77.780     8  0.47    11  0.41  molprobity  1.000  
109  109  ?         -61.9   -41.1  Favored     5   75.560     5  0.49     7  0.73  molprobity  1.000  
110  110  mtm       -64.2   -47.4  Favored     9   77.160     8  1.01    10  1.04  molprobity  1.000  
111  111  m         -70.5   -26.7  Favored     9   79.150     7  0.49    10  0.71  molprobity  1.000  
112  112  ?         -83.2   -31.7  Favored     5   83.110     5  0.45     7  1.11  molprobity  1.000  
113  113  t         -67.1   -40.5  Favored     5   86.570     6  0.43     8  0.64  molprobity  1.000  
114  114  ?        -156.1   176.8  Favored     5   82.710     5  0.80     7  1.08  molprobity  1.000  
115  115  t30       -79.2    64.5  Favored     6   97.740     8  0.59    11  0.71  molprobity  1.000  
116  116  m        -117.6   142.7  Favored     9   79.870     7  0.31    10  0.57  molprobity  1.000  
117  117  ttt      -102.0   131.5  Favored     9   87.770     8  0.41    10  0.35  molprobity  1.000  
118  118  tp        -73.5   121.4  Favored    11   75.350     8  0.38    11  0.70  molprobity  1.000  
119  119  t         -81.8   -50.9  Favored     9   71.560     7  0.35    10  0.53  molprobity  1.000  
120  120  ?         160.6  -166.6  Favored     3   65.470     4  0.42     5  1.05  molprobity  1.000  
121  121  m-85     -118.8   154.0  Favored     9   70.700    13  0.45    18  0.35  molprobity  1.000  
122  122  mm-40    -139.0   125.3  Favored     6   79.190     9  0.48    12  0.52  molprobity  1.000  
123  123  mtmt     -103.9   125.0  Favored    13   85.140     9  0.34    11  0.74  molprobity  1.000  
124  124  pt       -116.6     6.0  Favored    11   74.890     8  0.48    11  0.38  molprobity  1.000  
125  125  ?          86.0   173.5  Favored     3   82.350     4  0.43     5  0.82  molprobity  1.000  
126  126  tp         66.9    22.3  Favored    11   87.360     8  0.70    11  0.67  molprobity  1.000  
127  127  ?          69.8    19.9  Favored     3   73.160     4  0.25     5  0.55  molprobity  1.000  
128  128  mt        -94.8   127.5  Favored    11   72.370     8  0.28    11  0.78  molprobity  1.000  
129  129  t        -129.8   131.0  Favored     9   64.760     7  0.61    10  0.62  molprobity  1.000  
130  130  m        -111.9   129.2  Favored     7   63.760     7  0.45    10  0.65  molprobity  1.000  
131  131  t        -104.3   126.2  Favored     9   63.630     7  0.54    10  0.79  molprobity  1.000  
132  132  mt       -119.2   131.1  Favored    11   66.850     8  0.65    11  0.77  molprobity  1.000  
133  133  m        -120.8   155.4  Favored     9   66.950     7  0.46    10  0.70  molprobity  1.000  
134  134  ttt180   -134.2   138.8  Favored    13   98.470    11  0.25    14  0.43  molprobity  1.000  
135  135  ?         170.1  -172.6  Favored     3   85.990     4  0.33     5  0.58  molprobity  1.000  
136  136  p30       -68.2   150.4  Favored     4   95.940     8  0.49    11  0.96  molprobity  1.000  
137  137  p         -48.5   -42.4  Favored     9   84.290     7  0.48    10  1.04  molprobity  1.000  
138  138  ?         -64.6   -49.0  Favored     3   85.700     4  0.60     5  0.83  molprobity  1.000  
139  139  ?         -65.1   -39.0  Favored     5   78.730     5  0.58     7  0.45  molprobity  1.000  
140  140  t         -68.1   -44.2  Favored     9   75.210     7  0.59    10  0.69  molprobity  1.000  
141  141  ttmt      -63.1   -40.2  Favored    13   86.720     9  0.27    11  0.33  molprobity  1.000  
142  142  ?         -66.9   -44.4  Favored     5   81.040     5  0.42     7  0.76  molprobity  1.000  
143  143  ?         -61.6   -52.0  Favored     5   78.070     5  0.46     7  0.47  molprobity  1.000  
144  144  p         -61.1   -36.3  Favored     7   77.970     7  0.52    10  0.70  molprobity  1.000  
145  145  m-20      -65.9   -39.3  Favored     4   92.700     8  0.46    11  0.64  molprobity  1.000  
146  146  ?         -76.3   -38.4  Favored     5   76.040     5  0.49     7  0.40  molprobity  1.000  
147  147  ?         -65.3   -41.6  Favored     3   70.230     4  0.33     5  0.47  molprobity  1.000  
148  148  ?         -67.9   -42.8  Favored     5   73.230     5  0.65     7  0.53  molprobity  1.000  
149  149  ?         -63.6   -39.4  Favored     5   80.140     5  0.37     7  0.52  molprobity  1.000  
150  150  ?         -73.9   -42.0  Favored     5   72.950     5  0.55     7  0.42  molprobity  1.000  
151  151  ?         -63.0   -41.1  Favored     5   72.830     5  0.52     7  1.19  molprobity  1.000  
152  152  OUTLIER   -48.1   -35.2  Favored    13  106.220    11  0.38    14  0.69  molprobity  1.000  
153  153  m-20      -78.0   -18.8  Favored     6   90.360     8  0.33    11  0.57  molprobity  1.000  
154  154  t        -100.2   -54.2  Favored     9   85.280     7  0.44    10  0.27  molprobity  1.000  
155  155  ?        -143.6  -167.3  Favored     3   80.500     4  0.17     5  0.17  molprobity  1.000  
156  156  pt-20     -91.5   123.8  Favored     6   96.080     9  0.32    12  0.98  molprobity  1.000  
157  157  t         -86.5   122.4  Favored     9   74.400     7  0.53    10  0.91  molprobity  1.000  
158  158  mmmt      -95.2   -28.4  Favored    13   91.320     9  0.52    11  0.64  molprobity  1.000  
159  159  ?        -156.9   144.7  Favored     5   69.330     5  0.52     7  0.87  molprobity  1.000  
160  160  t        -136.8   123.3  Favored     9   70.580     7  0.57    10  0.88  molprobity  1.000  
161  161  t-80     -153.6   145.5  Favored     7   70.570    11  0.38    15  0.71  molprobity  1.000  
162  162  t        -122.6   130.2  Favored     9   69.510     7  0.71    10  0.70  molprobity  1.000  
163  163  mt       -119.9   103.2  Favored    11   79.820     8  0.44    12  0.75  molprobity  1.000  
164  164  Cg_endo   -79.1    90.8  Allowed     7  101.240     8  0.70    11  1.40  molprobity  1.000  
165  165  OUTLIER   -85.3   161.6  Favored    13  108.560    11  0.74    15  0.56  molprobity  1.000  
166  166  Cg_exo        ?       ?  ?           7  128.880     7  0.41     8  0.45  molprobity  1.000  
167  167  ?             ?       ?  ?           1  105.070     5  0.52     7  0.74  molprobity  1.000  
168  168  ?         -57.4   -33.5  Favored     2  106.130     5  0.47     7  0.93  molprobity  1.000  
169  169  mm        -78.2    -7.3  Favored    11   97.670     8  0.54    11  1.33  molprobity  1.000  
170  170  mt        -89.8   153.4  Favored    11   89.220     8  0.61    12  0.57  molprobity  1.000  
171  171  Cg_exo        ?       ?  ?           7   99.270     7  0.36     8  0.41  molprobity  1.000  
172  172  tt0           ?       ?  ?           5  108.150     9  0.48    12  0.53  molprobity  1.000  
173  173  ?         -79.1   152.6  Favored     5   78.000     5  0.33     7  1.00  molprobity  1.000  
174  174  mt       -108.0   138.3  Favored    11   71.440     8  0.30    11  0.79  molprobity  1.000  
175  175  ?        -124.6   144.2  Favored     3   65.320     4  0.43     5  0.48  molprobity  1.000  
176  176  OUTLIER  -142.9   133.6  Favored     9   71.140     8  0.44    10  0.83  molprobity  1.000  
177  177  t        -126.5   119.2  Favored     9   61.540     7  0.37    10  0.71  molprobity  1.000  
178  178  tt0      -107.6   124.8  Favored     6   69.800     9  0.29    12  0.43  molprobity  1.000  
179  179  p        -125.8   161.0  Favored     7   60.070     7  0.54    10  0.81  molprobity  1.000  
180  180  tttt      -99.2   107.3  Favored    13   85.520     9  0.40    11  1.04  molprobity  1.000  
181  181  ?         112.7   144.7  Favored     3   66.170     4  0.27     5  0.49  molprobity  1.000  
182  182  tp        -83.4   -32.8  Favored    11   68.180     8  0.58    11  0.43  molprobity  1.000  
183  183  m         -59.0   -43.3  Favored     7   70.890     7  0.53    10  0.61  molprobity  1.000  
184  184  ?         -64.9   -32.1  Favored     5   65.270     5  0.36     7  0.52  molprobity  1.000  
185  185  ?         -72.4   -44.5  Favored     5   60.000     5  0.47     7  0.52  molprobity  1.000  
186  186  mt        -66.1   -35.6  Favored    11   63.350     8  0.77    11  0.42  molprobity  1.000  
187  187  tp10      -65.0   -42.5  Favored     6   74.570     9  0.37    12  0.72  molprobity  1.000  
188  188  ?         -62.4   -51.7  Favored     5   63.200     5  0.56     7  0.66  molprobity  1.000  
189  189  ?         -54.0   -41.5  Favored     5   66.460     5  0.48     7  0.50  molprobity  1.000  
190  190  t70       -66.9   -47.8  Favored     4   70.710     8  0.29    11  0.49  molprobity  1.000  
191  191  ?         -61.8   -36.6  Favored     5   72.560     5  0.34     7  0.96  molprobity  1.000  
192  192  mtm       -75.0   -30.9  Favored     9   72.660     8  0.75    10  0.82  molprobity  1.000  
193  193  OUTLIER   -91.6    -5.4  Favored     9   73.710     7  0.71    10  1.34  molprobity  1.000  
194  194  ?         -61.0    -7.3  Favored     5   81.490     5  0.57     7  1.03  molprobity  1.000  
195  195  t        -106.6   126.8  Favored     5   90.360     6  0.57     8  0.88  molprobity  1.000  
196  196  ?         -63.6   -19.1  Favored     5   96.240     5  0.43     7  0.65  molprobity  1.000  
197  197  ?         -93.9     9.6  Favored     2   91.330     5  0.66     7  0.71  molprobity  1.000  
198  198  t        -124.4   121.8  Favored     9   80.340     7  0.47    10  0.75  molprobity  1.000  
199  199  ttt      -108.0   131.9  Favored     9   82.560     8  0.32    10  0.28  molprobity  1.000  
200  200  tp        -75.0   123.2  Favored    11   71.010     8  0.46    11  0.62  molprobity  1.000  
201  201  t         -81.8   -51.3  Favored     9   69.850     7  0.44    10  0.47  molprobity  1.000  
202  202  ?         161.1  -167.2  Favored     3   65.600     4  0.40     5  1.00  molprobity  1.000  
203  203  m-85     -118.3   155.5  Favored     9   71.060    13  0.44    18  0.47  molprobity  1.000  
204  204  mm-40    -140.4   126.5  Favored     6   71.530     9  0.36    12  0.41  molprobity  1.000  
205  205  mtmt     -102.7   127.0  Favored    13   71.800     9  0.44    11  0.85  molprobity  1.000  
206  206  pt       -117.3     5.0  Favored    11   67.970     8  0.59    11  0.47  molprobity  1.000  
207  207  ?          84.7   173.2  Favored     3   72.310     4  0.65     5  0.74  molprobity  1.000  
208  208  tp         69.6    21.8  Favored    11   80.480     8  0.76    11  0.66  molprobity  1.000  
209  209  ?          70.1    18.5  Favored     3   72.110     4  0.37     5  0.63  molprobity  1.000  
210  210  mt        -93.9   126.6  Favored    11   70.920     8  0.28    11  0.84  molprobity  1.000  
211  211  t        -127.1   131.3  Favored     9   61.110     7  0.63    10  0.51  molprobity  1.000  
212  212  m        -111.0   129.4  Favored     7   64.010     7  0.51    10  0.63  molprobity  1.000  
213  213  t        -104.8   127.5  Favored     9   60.410     7  0.31    10  0.71  molprobity  1.000  
214  214  mt       -118.6   132.2  Favored    11   62.430     8  0.75    11  0.71  molprobity  1.000  
215  215  m        -122.1   152.7  Favored     9   62.900     7  0.32    10  0.80  molprobity  1.000  
216  216  ttm105   -131.8   136.7  Favored    13   97.570    11  0.57    14  0.83  molprobity  1.000  
217  217  ?         169.4  -171.8  Favored     3   70.090     4  0.23     5  0.51  molprobity  1.000  
218  218  OUTLIER   -73.0   148.1  Favored     4   79.970     8  0.64    11  1.08  molprobity  1.000  
219  219  p         -46.3   -45.0  Favored     9   75.690     7  0.44    10  0.94  molprobity  1.000  
220  220  ?         -63.0   -51.9  Favored     3   71.940     4  0.46     5  0.67  molprobity  1.000  
221  221  ?         -64.5   -39.5  Favored     5   66.670     5  0.70     7  0.56  molprobity  1.000  
222  222  t         -64.3   -43.0  Favored     9   68.560     7  0.79    10  0.83  molprobity  1.000  
223  223  ttmt      -64.2   -40.9  Favored    13   81.960     9  0.39    11  0.33  molprobity  1.000  
224  224  ?         -67.0   -43.3  Favored     5   73.570     5  0.38     7  0.49  molprobity  1.000  
225  225  ?         -60.8   -50.4  Favored     5   68.110     5  0.51     7  0.78  molprobity  1.000  
226  226  p         -62.8   -36.7  Favored     7   68.850     7  0.44    10  0.73  molprobity  1.000  
227  227  m-20      -65.6   -38.8  Favored     4   86.450     8  0.44    11  0.61  molprobity  1.000  
228  228  ?         -77.1   -35.7  Favored     5   68.060     5  0.55     7  0.60  molprobity  1.000  
229  229  ?         -64.3   -42.5  Favored     3   65.350     4  0.16     5  0.60  molprobity  1.000  
230  230  ?         -70.3   -43.9  Favored     5   67.810     5  0.39     7  0.53  molprobity  1.000  
231  231  ?         -64.0   -39.1  Favored     5   72.030     5  0.57     7  0.52  molprobity  1.000  
232  232  ?         -72.6   -42.9  Favored     5   69.640     5  0.32     7  0.39  molprobity  1.000  
233  233  ?         -62.7   -43.0  Favored     5   72.360     5  0.41     7  0.90  molprobity  1.000  
234  234  OUTLIER   -51.5   -29.4  Favored    13  105.580    11  0.47    14  0.54  molprobity  1.000  
235  235  m-20      -76.2   -22.2  Favored     6   89.990     8  0.29    11  0.45  molprobity  1.000  
236  236  t         -99.8   -52.3  Favored     9   84.120     7  0.36    10  0.24  molprobity  1.000  
237  237  ?        -145.2  -162.2  Favored     3   79.400     4  0.21     5  0.51  molprobity  1.000  
238  238  tt0       -88.3   131.1  Favored     6   93.840     9  0.25    12  0.45  molprobity  1.000  
239  239  t         -97.7   123.0  Favored     9   69.590     7  0.32    10  0.86  molprobity  1.000  
240  240  mmmt      -96.8   -28.1  Favored    13   84.210     9  0.49    11  0.65  molprobity  1.000  
241  241  ?        -157.1   148.3  Favored     5   68.210     5  0.53     7  0.91  molprobity  1.000  
242  242  t        -140.2   123.8  Favored     9   68.010     7  0.63    10  0.77  molprobity  1.000  
243  243  t60      -151.8   145.5  Favored     7   70.810    11  0.18    15  0.70  molprobity  1.000  
244  244  t        -124.4   130.6  Favored     9   71.270     7  0.75    10  0.95  molprobity  1.000  
245  245  mt       -120.4   102.5  Favored    11   77.490     8  0.59    12  0.77  molprobity  1.000  
246  246  Cg_endo   -81.3    82.0  Favored     7   84.880     8  0.76    11  1.02  molprobity  1.000  
247  247  tpt180        ?       ?  ?          13  116.430    10  0.23    11  0.58  molprobity  1.000  
248  248  p             ?       ?  ?           8  122.850     7  0.68    10  0.96  molprobity  1.000  
249  249  ?        -113.0    22.2  Favored     2  115.910     5  0.35     7  0.58  molprobity  1.000  
250  250  ?         -66.4   -41.9  Favored     2  115.780     5  0.27     7  0.76  molprobity  1.000  
251  251  mm        -75.5   -13.4  Favored    11  106.430     8  0.67    11  1.36  molprobity  1.000  
252  252  mt        -91.1   152.6  Favored    11   99.090     8  0.62    12  0.67  molprobity  1.000  
253  253  Cg_exo        ?       ?  ?           7   99.580     7  0.25     8  0.37  molprobity  1.000  
254  254  ?             ?       ?  ?           ?  134.300     4  0.13     6  0.09  mogul       1.000  
255  255  ?             ?       ?  ?           ?   39.420     ?     ?     ?     ?  ?           1.000  
256  256  ?             ?       ?  ?           ?   63.940     ?     ?     ?     ?  ?           1.000  
257  257  ?             ?       ?  ?           ?   54.670     ?     ?     ?     ?  ?           1.000  
258  258  ?             ?       ?  ?           ?   56.080     ?     ?     ?     ?  ?           1.000  
#
loop_
_pdbx_vrpt_instance_clashes.ordinal
_pdbx_vrpt_instance_clashes.instance_id
_pdbx_vrpt_instance_clashes.label_atom_id
_pdbx_vrpt_instance_clashes.cid
_pdbx_vrpt_instance_clashes.clashmag
_pdbx_vrpt_instance_clashes.dist
 1    2  O     1  0.41  2.21  
 2   39  HD13  2  0.59  1.84  
 3   49  HA    1  0.41  2.21  
 4   86  HD13  3  0.50  1.93  
 5  101  HG22  4  0.40  2.03  
 6  106  O     5  0.49  2.13  
 7  108  HB2   3  0.50  1.93  
 8  110  HG3   5  0.49  2.13  
 9  110  HB3   6  0.44  2.00  
10  126  HA    2  0.59  1.84  
11  143  HB1   6  0.44  2.00  
12  154  HG11  4  0.40  2.03  
13  192  HG2   7  0.41  2.21  
14  216  HH11  8  0.55  1.72  
15  225  O     7  0.41  2.21  
16  248  HG22  8  0.55  1.72  
#
loop_
_pdbx_vrpt_model_instance_density.ordinal
_pdbx_vrpt_model_instance_density.instance_id
_pdbx_vrpt_model_instance_density.natoms_eds
_pdbx_vrpt_model_instance_density.RSRCC
_pdbx_vrpt_model_instance_density.RSR
_pdbx_vrpt_model_instance_density.RSRZ
  1    1   5  0.678  0.317   2.309  
  2    2   9  0.476  0.302   2.092  
  3    3   9  0.913  0.248   1.030  
  4    4   5  0.938  0.250   2.126  
  5    5   8  0.913  0.119  -0.495  
  6    6   4  0.952  0.117  -0.192  
  7    7   8  0.936  0.207   1.322  
  8    8   7  0.943  0.189   0.925  
  9    9   9  0.956  0.186   0.210  
 10   10   7  0.917  0.174   0.703  
 11   11   9  0.929  0.211   0.454  
 12   12   4  0.961  0.149   0.325  
 13   13   8  0.903  0.185   0.720  
 14   14   7  0.872  0.177   0.756  
 15   15   5  0.900  0.148   0.311  
 16   16   5  0.954  0.163   0.578  
 17   17   8  0.947  0.134  -0.211  
 18   18   9  0.862  0.249   1.044  
 19   19   5  0.851  0.177   0.827  
 20   20   5  0.944  0.147   0.294  
 21   21   8  0.935  0.167   0.316  
 22   22   5  0.835  0.142   0.205  
 23   23   8  0.929  0.196   1.118  
 24   24   7  0.900  0.178   0.718  
 25   25   5  0.838  0.160   0.525  
 26   26   6  0.891  0.163   0.466  
 27   27   5  0.963  0.162   0.560  
 28   28   8  0.903  0.248   1.625  
 29   29   7  0.925  0.187   0.887  
 30   30   8  0.760  0.223   1.617  
 31   31   8  0.897  0.169   0.425  
 32   32   7  0.896  0.136  -0.071  
 33   33   4  0.901  0.181   0.842  
 34   34  12  0.882  0.171   0.742  
 35   35   9  0.926  0.138  -0.425  
 36   36   9  0.922  0.139  -0.507  
 37   37   8  0.945  0.139  -0.118  
 38   38   4  0.959  0.118  -0.176  
 39   39   8  0.912  0.190   0.812  
 40   40   4  0.946  0.197   1.100  
 41   41   8  0.968  0.195   0.904  
 42   42   7  0.941  0.148   0.154  
 43   43   7  0.954  0.146   0.211  
 44   44   7  0.967  0.143   0.060  
 45   45   8  0.947  0.185   0.741  
 46   46   7  0.761  0.151   0.211  
 47   47  11  0.867  0.178   0.221  
 48   48   4  0.799  0.366   3.830  
 49   49   8  0.872  0.212   0.988  
 50   50   7  0.891  0.175   0.662  
 51   51   4  0.900  0.179   0.809  
 52   52   5  0.913  0.161   0.543  
 53   53   7  0.896  0.190   0.944  
 54   54   9  0.879  0.230   0.708  
 55   55   5  0.950  0.186   0.988  
 56   56   5  0.865  0.188   1.023  
 57   57   7  0.911  0.162   0.492  
 58   58   8  0.932  0.232   1.287  
 59   59   5  0.927  0.159   0.507  
 60   60   4  0.951  0.131   0.034  
 61   61   5  0.938  0.116  -0.258  
 62   62   5  0.944  0.165   0.614  
 63   63   5  0.954  0.168   0.667  
 64   64   5  0.913  0.190   1.059  
 65   65  11  0.832  0.230   0.968  
 66   66   8  0.869  0.138  -0.073  
 67   67   7  0.898  0.146   0.117  
 68   68   4  0.836  0.156   0.438  
 69   69   9  0.892  0.256   1.136  
 70   70   7  0.937  0.141   0.023  
 71   71   9  0.892  0.225   0.641  
 72   72   5  0.971  0.141   0.187  
 73   73   7  0.947  0.171   0.586  
 74   74  10  0.955  0.128  -0.153  
 75   75   7  0.851  0.156   0.305  
 76   76   8  0.913  0.163   0.330  
 77   77   7  0.932  0.167   0.620  
 78   78  11  0.943  0.196   0.480  
 79   79   7  0.907  0.245   1.949  
 80   80   5  0.865  0.259   1.998  
 81   81   7  0.798  0.678   9.561  
 82   82   8  0.874  0.226   1.197  
 83   83   7  0.913  0.234   1.771  
 84   84   9  0.906  0.221   0.673  
 85   85   5  0.911  0.197   0.267  
 86   86   8  0.959  0.123  -0.416  
 87   87   8  0.941  0.255   2.009  
 88   88   7  0.886  0.152   0.365  
 89   89   5  0.509  0.412   3.138  
 90   90   5  0.526  0.362   2.538  
 91   91   5  0.923  0.179   0.863  
 92   92   8  0.956  0.124  -0.403  
 93   93   4  0.962  0.094  -0.564  
 94   94   8  0.945  0.130  -0.102  
 95   95   7  0.923  0.130  -0.184  
 96   96   9  0.927  0.133  -0.491  
 97   97   7  0.902  0.134   0.000  
 98   98   9  0.915  0.188   0.147  
 99   99   4  0.958  0.200   1.149  
100  100   8  0.909  0.193   0.867  
101  101   7  0.902  0.248   2.004  
102  102   5  0.938  0.118  -0.222  
103  103   5  0.954  0.172   0.738  
104  104   8  0.826  0.156   0.200  
105  105   9  0.909  0.166  -0.054  
106  106   5  0.968  0.185   0.970  
107  107   5  0.956  0.182   0.916  
108  108   8  0.872  0.127  -0.281  
109  109   5  0.917  0.120  -0.187  
110  110   8  0.964  0.181   0.841  
111  111   7  0.871  0.187   0.887  
112  112   5  0.916  0.199   1.219  
113  113   6  0.961  0.123  -0.195  
114  114   5  0.929  0.145   0.258  
115  115   8  0.881  0.212   1.069  
116  116   7  0.940  0.160   0.380  
117  117   8  0.815  0.209   1.359  
118  118   8  0.905  0.179   0.610  
119  119   7  0.965  0.192   0.981  
120  120   4  0.934  0.154   0.405  
121  121  12  0.916  0.117  -0.312  
122  122   9  0.936  0.142  -0.372  
123  123   9  0.907  0.159  -0.240  
124  124   8  0.916  0.161   0.293  
125  125   4  0.922  0.137   0.131  
126  126   8  0.958  0.168   0.407  
127  127   4  0.893  0.223   1.520  
128  128   8  0.952  0.155   0.168  
129  129   7  0.945  0.140   0.004  
130  130   7  0.974  0.114  -0.351  
131  131   7  0.930  0.150   0.192  
132  132   8  0.968  0.189   0.815  
133  133   7  0.837  0.153   0.248  
134  134  11  0.801  0.196   0.480  
135  135   4  0.855  0.235   1.714  
136  136   8  0.931  0.167   0.316  
137  137   7  0.947  0.133  -0.128  
138  138   4  0.961  0.180   0.826  
139  139   5  0.901  0.155   0.436  
140  140   7  0.921  0.169   0.549  
141  141   9  0.886  0.147  -0.401  
142  142   5  0.952  0.244   2.020  
143  143   5  0.903  0.206   1.343  
144  144   7  0.934  0.278   2.531  
145  145   8  0.833  0.259   1.690  
146  146   5  0.837  0.209   1.397  
147  147   4  0.949  0.204   1.213  
148  148   5  0.914  0.148   0.311  
149  149   5  0.857  0.223   1.646  
150  150   5  0.924  0.093  -0.667  
151  151   5  0.928  0.227   1.717  
152  152  11  0.893  0.250   1.256  
153  153   8  0.855  0.145   0.035  
154  154   7  0.918  0.182   0.793  
155  155   4  0.776  0.200   1.149  
156  156   9  0.826  0.168  -0.028  
157  157   7  0.877  0.188   0.906  
158  158   9  0.958  0.128  -0.654  
159  159   5  0.968  0.119  -0.205  
160  160   7  0.952  0.136  -0.071  
161  161  10  0.923  0.145   0.126  
162  162   7  0.946  0.156   0.305  
163  163   8  0.846  0.168   0.424  
164  164   7  0.740  0.219   1.506  
165  165  11  0.364  0.389   3.253  
166  166   7  0.447  0.329   3.380  
167  167   5  0.722  0.393   2.948  
168  168   5  0.894  0.188   0.147  
169  169   8  0.936  0.154   0.162  
170  170   8  0.875  0.167   0.389  
171  171   7  0.695  0.149   0.313  
172  172   9  0.785  0.350   2.380  
173  173   5  0.958  0.190   1.059  
174  174   8  0.957  0.146   0.002  
175  175   4  0.933  0.141   0.195  
176  176   8  0.930  0.165   0.545  
177  177   7  0.956  0.164   0.455  
178  178   9  0.958  0.155  -0.200  
179  179   7  0.952  0.122  -0.211  
180  180   9  0.942  0.229   0.694  
181  181   4  0.920  0.230   1.633  
182  182   8  0.904  0.237   1.678  
183  183   7  0.962  0.252   2.074  
184  184   5  0.829  0.178   0.845  
185  185   5  0.941  0.194   1.130  
186  186   8  0.943  0.168   0.424  
187  187   9  0.949  0.200   0.396  
188  188   5  0.882  0.194   1.130  
189  189   5  0.932  0.168   0.667  
190  190   8  0.936  0.148   0.033  
191  191   5  0.958  0.157   0.472  
192  192   8  0.940  0.156   0.379  
193  193   7  0.947  0.128  -0.222  
194  194   5  0.943  0.266   2.411  
195  195   6  0.788  0.239   1.722  
196  196   5  0.914  0.246   2.055  
197  197   5  0.726  0.299   2.412  
198  198   7  0.847  0.167   0.511  
199  199   8  0.842  0.164   0.527  
200  200   8  0.898  0.154   0.149  
201  201   7  0.937  0.153   0.248  
202  202   4  0.901  0.127  -0.031  
203  203  12  0.829  0.265   2.578  
204  204   9  0.916  0.131  -0.517  
205  205   9  0.924  0.171  -0.080  
206  206   8  0.964  0.138  -0.136  
207  207   4  0.958  0.132   0.050  
208  208   8  0.901  0.149   0.057  
209  209   4  0.937  0.182   0.858  
210  210   8  0.959  0.145  -0.017  
211  211   7  0.925  0.151   0.211  
212  212   7  0.914  0.134   0.000  
213  213   7  0.931  0.164   0.455  
214  214   8  0.969  0.135  -0.192  
215  215   7  0.942  0.104  -0.673  
216  216  11  0.808  0.361   2.851  
217  217   4  0.947  0.265   2.199  
218  218   8  0.919  0.156   0.152  
219  219   7  0.909  0.156   0.305  
220  220   4  0.966  0.197   1.100  
221  221   5  0.921  0.102  -0.507  
222  222   7  0.933  0.160   0.380  
223  223   9  0.955  0.168  -0.120  
224  224   5  0.947  0.133   0.044  
225  225   5  0.837  0.200   1.237  
226  226   7  0.894  0.200   1.160  
227  227   8  0.877  0.201   0.824  
228  228   5  0.980  0.202   1.272  
229  229   4  0.949  0.162   0.535  
230  230   5  0.925  0.131   0.009  
231  231   5  0.934  0.166   0.632  
232  232   5  0.907  0.202   1.272  
233  233   5  0.890  0.201   1.254  
234  234  11  0.883  0.288   1.802  
235  235   8  0.855  0.140  -0.042  
236  236   7  0.905  0.184   0.831  
237  237   4  0.800  0.257   2.069  
238  238   9  0.846  0.231   0.806  
239  239   7  0.924  0.217   1.451  
240  240   9  0.959  0.143  -0.454  
241  241   5  0.982  0.152   0.383  
242  242   7  0.913  0.156   0.305  
243  243  10  0.925  0.134  -0.054  
244  244   7  0.958  0.153   0.248  
245  245   8  0.901  0.143  -0.043  
246  246   7  0.406  0.250   2.034  
247  247  11  0.237  0.296   1.917  
248  248   7  0.201  0.402   4.929  
249  249   5  0.714  0.287   1.546  
250  250   5  0.811  0.258   1.081  
251  251   8  0.909  0.249   1.935  
252  252   8  0.804  0.263   2.157  
253  253   7  0.813  0.214   1.421  
254  254   5  0.888  0.150       ?  
255  255   1  0.955  0.310       ?  
256  256   1  0.849  0.372       ?  
257  257   1  0.879  0.271       ?  
258  258   1  0.964  0.376       ?  
#
loop_
_pdbx_vrpt_software.ordinal
_pdbx_vrpt_software.name
_pdbx_vrpt_software.version
_pdbx_vrpt_software.success_y_or_n
1  molprobity   4.02b-467                                                             Y  
2  mogul        "1.8.5 (274361), CSD as541be (2020)"                                  Y  
3  eds          2.35.1                                                                Y  
4  dcc          '"2.27  (2023-04-10)"'                                                Y  
5  xtriage      1.13                                                                  Y  
6  percentiles  "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
