data_3NTI

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  3NTI
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    3NTI
_pdbx_vrpt_summary.PDB_deposition_date         2010-07-05
_pdbx_vrpt_summary.PDB_revision_number         2
_pdbx_vrpt_summary.PDB_revision_date           2011-07-13
_pdbx_vrpt_summary.report_creation_date        2023-10-31:19:26
_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  "Maternal protein tudor"  
2  polymer  "peptide from Aubergine"  
3  water    water  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  2  
C  3  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all  x-ray  
2  2.8  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   4.91  141614     ?     ?  
 2  2  1  17.12    3569  2.80  2.80  
 3  1  2  12.81  138981     ?     ?  
 4  2  2  38.85    3498  2.80  2.80  
 5  1  3  29.53  138945     ?     ?  
 6  2  3  62.91    3500  2.80  2.80  
 7  1  4  15.51  127900     ?     ?  
 8  2  4   8.77    3078  2.80  2.80  
 9  1  5  12.99  130704     ?     ?  
10  2  5  34.98    3140  2.80  2.80  
#
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   11.70  
 2  4  2  A  1  1  A   36.25  
 3  5  3  A  1  1  A   28.77  
 4  6  3  A  1  1  A   61.83  
 5  7  4  A  1  1  A   14.24  
 6  8  4  A  1  1  A    7.96  
 7  3  2  B  1  2  C  100.00  
 8  4  2  B  1  2  C  100.00  
 9  5  3  B  1  2  C  100.00  
10  6  3  B  1  2  C  100.00  
11  7  4  B  1  2  C  100.00  
12  8  4  B  1  2  C  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  0.69  0.44  1314  1778  
2  1  2  B  C  1.01  0.70    37    44  
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  1.23
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       4.23
_pdbx_vrpt_summary_geometry.clashscore                     27.14
_pdbx_vrpt_summary_geometry.num_H_reduce                   1280
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 1351
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.45
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                1822
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.70
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.Babinet_b                 111.508
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            57.882
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         68.391
_pdbx_vrpt_summary_diffraction.I_over_sigma              3.69(2.81A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        4980
_pdbx_vrpt_summary_diffraction.Babinet_k                 0.002
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.349
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.467
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.300
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.915
_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              2.80
_pdbx_vrpt_summary_diffraction.EDS_res_low               41.07
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[75.419,75.419,55.064,0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.297
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 7.79% of the height of the origin peak. No significant pseudotranslation is detected."
_pdbx_vrpt_summary_diffraction.B_factor_type             FULL
_pdbx_vrpt_summary_diffraction.acentric_outliers         1
_pdbx_vrpt_summary_diffraction.centric_outliers          0
_pdbx_vrpt_summary_diffraction.data_completeness         99.64
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      517
_pdbx_vrpt_summary_diffraction.percent_free_reflections  10.38
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     7.10
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       2.80
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        50.00
_pdbx_vrpt_summary_diffraction.PDB_R                     0.24
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.28
#
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_angle_outliers
_pdbx_vrpt_model_instance.count_clashes
_pdbx_vrpt_model_instance.count_mogul_torsion_outliers
  1  1  1  A    4  GLU  A  2347  .  ?        ?     1     ?  
  2  1  1  A    5  LEU  A  2348  .  ?        ?     1     ?  
  3  1  1  A    6  HIS  A  2349  .  ?        ?     1     ?  
  4  1  1  A    7  ASN  A  2350  .  ?        ?     ?     ?  
  5  1  1  A    8  CYS  A  2351  .  ?        ?     ?     ?  
  6  1  1  A    9  VAL  A  2352  .  ?        ?     ?     ?  
  7  1  1  A   10  VAL  A  2353  .  ?        ?     ?     ?  
  8  1  1  A   11  VAL  A  2354  .  ?        ?     ?     ?  
  9  1  1  A   12  GLN  A  2355  .  ?        ?     ?     ?  
 10  1  1  A   13  PHE  A  2356  .  ?        ?     2     ?  
 11  1  1  A   14  ASP  A  2357  .  ?        ?     ?     ?  
 12  1  1  A   15  GLY  A  2358  .  ?        ?     ?     ?  
 13  1  1  A   16  PRO  A  2359  .  ?        ?     1     ?  
 14  1  1  A   17  MET  A  2360  .  ?        ?     1     ?  
 15  1  1  A   18  SER  A  2361  .  ?        ?     ?     ?  
 16  1  1  A   19  PHE  A  2362  .  ?        ?     ?     ?  
 17  1  1  A   20  TYR  A  2363  .  ?        ?     2     ?  
 18  1  1  A   21  VAL  A  2364  .  ?        ?     ?     ?  
 19  1  1  A   22  GLN  A  2365  .  ?        ?     2     ?  
 20  1  1  A   23  MET  A  2366  .  ?        ?     1     ?  
 21  1  1  A   24  GLU  A  2367  .  ?        ?     ?     ?  
 22  1  1  A   25  SER  A  2368  .  ?        ?     ?     ?  
 23  1  1  A   26  ASP  A  2369  .  ?        ?     ?     ?  
 24  1  1  A   27  VAL  A  2370  .  ?        ?     ?     ?  
 25  1  1  A   28  PRO  A  2371  .  ?        ?     ?     ?  
 26  1  1  A   29  ALA  A  2372  .  ?        ?     ?     ?  
 27  1  1  A   30  LEU  A  2373  .  ?        ?     ?     ?  
 28  1  1  A   31  GLU  A  2374  .  ?        ?     ?     ?  
 29  1  1  A   32  GLN  A  2375  .  ?        ?     1     ?  
 30  1  1  A   33  MET  A  2376  .  ?        ?     1     ?  
 31  1  1  A   34  THR  A  2377  .  ?        ?     ?     ?  
 32  1  1  A   35  ASP  A  2378  .  ?        ?     ?     ?  
 33  1  1  A   36  LYS  A  2379  .  ?        ?     1     ?  
 34  1  1  A   37  LEU  A  2380  .  ?        ?     ?     ?  
 35  1  1  A   38  LEU  A  2381  .  ?        ?     2     ?  
 36  1  1  A   39  ASP  A  2382  .  ?        ?     ?     ?  
 37  1  1  A   40  ALA  A  2383  .  ?        ?     ?     ?  
 38  1  1  A   41  GLU  A  2384  .  ?        ?     1     ?  
 39  1  1  A   42  GLN  A  2385  .  ?        ?     2     ?  
 40  1  1  A   43  ASP  A  2386  .  ?        ?     ?     ?  
 41  1  1  A   44  LEU  A  2387  .  ?        ?     ?     ?  
 42  1  1  A   45  PRO  A  2388  .  ?        ?     1     ?  
 43  1  1  A   46  ALA  A  2389  .  ?        ?     ?     ?  
 44  1  1  A   47  PHE  A  2390  .  ?        ?     ?     ?  
 45  1  1  A   48  SER  A  2391  .  ?        ?     ?     ?  
 46  1  1  A   49  ASP  A  2392  .  ?        ?     ?     ?  
 47  1  1  A   50  LEU  A  2393  .  ?        ?     ?     ?  
 48  1  1  A   51  LYS  A  2394  .  ?        ?     ?     ?  
 49  1  1  A   52  GLU  A  2395  .  ?        ?     ?     ?  
 50  1  1  A   53  GLY  A  2396  .  ?        ?     ?     ?  
 51  1  1  A   54  ALA  A  2397  .  ?        ?     ?     ?  
 52  1  1  A   55  LEU  A  2398  .  ?        ?     ?     ?  
 53  1  1  A   56  CYS  A  2399  .  ?        ?     ?     ?  
 54  1  1  A   57  VAL  A  2400  .  ?        ?     2     ?  
 55  1  1  A   58  ALA  A  2401  .  ?        ?     ?     ?  
 56  1  1  A   59  GLN  A  2402  .  ?        ?     ?     ?  
 57  1  1  A   60  PHE  A  2403  .  ?        ?     ?     ?  
 58  1  1  A   61  PRO  A  2404  .  ?        ?     ?     ?  
 59  1  1  A   62  GLU  A  2405  .  ?        ?     ?     ?  
 60  1  1  A   63  ASP  A  2406  .  ?        ?     4     ?  
 61  1  1  A   64  GLU  A  2407  .  ?        ?     2     ?  
 62  1  1  A   65  VAL  A  2408  .  ?        ?     2     ?  
 63  1  1  A   66  PHE  A  2409  .  ?        ?     3     ?  
 64  1  1  A   67  TYR  A  2410  .  ?        ?     ?     ?  
 65  1  1  A   68  ARG  A  2411  .  ?        ?     1     ?  
 66  1  1  A   69  ALA  A  2412  .  ?        ?     ?     ?  
 67  1  1  A   70  GLN  A  2413  .  ?        ?     ?     ?  
 68  1  1  A   71  ILE  A  2414  .  ?        ?     ?     ?  
 69  1  1  A   72  ARG  A  2415  .  ?        ?     2     ?  
 70  1  1  A   73  LYS  A  2416  .  ?        ?     ?     ?  
 71  1  1  A   74  VAL  A  2417  .  ?        ?     ?     ?  
 72  1  1  A   75  LEU  A  2418  .  ?        ?     ?     ?  
 73  1  1  A   76  ASP  A  2419  .  ?        ?     ?     ?  
 74  1  1  A   77  ASP  A  2420  .  ?        ?     ?     ?  
 75  1  1  A   78  GLY  A  2421  .  ?        ?     ?     ?  
 76  1  1  A   79  LYS  A  2422  .  ?        ?     ?     ?  
 77  1  1  A   80  CYS  A  2423  .  ?        ?     2     ?  
 78  1  1  A   81  GLU  A  2424  .  ?        ?     ?     ?  
 79  1  1  A   82  VAL  A  2425  .  ?        ?     ?     ?  
 80  1  1  A   83  HIS  A  2426  .  ?        ?     ?     ?  
 81  1  1  A   84  PHE  A  2427  .  ?        ?     ?     ?  
 82  1  1  A   85  ILE  A  2428  .  ?        ?     1     ?  
 83  1  1  A   86  ASP  A  2429  .  ?        ?     1     ?  
 84  1  1  A   87  PHE  A  2430  .  ?        ?     ?     ?  
 85  1  1  A   88  GLY  A  2431  .  ?        ?     ?     ?  
 86  1  1  A   89  ASN  A  2432  .  ?        ?     ?     ?  
 87  1  1  A   90  ASN  A  2433  .  ?        ?     ?     ?  
 88  1  1  A   91  ALA  A  2434  .  ?        ?     ?     ?  
 89  1  1  A   92  VAL  A  2435  .  ?        ?     ?     ?  
 90  1  1  A   93  THR  A  2436  .  ?        ?     ?     ?  
 91  1  1  A   94  GLN  A  2437  .  ?        ?     ?     ?  
 92  1  1  A   95  GLN  A  2438  .  ?        ?     ?     ?  
 93  1  1  A   96  PHE  A  2439  .  ?        ?     2     ?  
 94  1  1  A   97  ARG  A  2440  .  ?        ?     ?     ?  
 95  1  1  A   98  GLN  A  2441  .  ?        ?     1     ?  
 96  1  1  A   99  LEU  A  2442  .  ?        ?     ?     ?  
 97  1  1  A  100  PRO  A  2443  .  ?        ?     ?     ?  
 98  1  1  A  101  GLU  A  2444  .  ?        ?     3     ?  
 99  1  1  A  102  GLU  A  2445  .  ?        ?     ?     ?  
100  1  1  A  103  LEU  A  2446  .  ?        ?     ?     ?  
101  1  1  A  104  ALA  A  2447  .  ?        ?     ?     ?  
102  1  1  A  105  LYS  A  2448  .  ?        ?     2     ?  
103  1  1  A  106  PRO  A  2449  .  ?        ?     1     ?  
104  1  1  A  107  ALA  A  2450  .  ?        ?     ?     ?  
105  1  1  A  108  ARG  A  2451  .  ?        ?     ?     ?  
106  1  1  A  109  TYR  A  2452  .  ?        ?     ?     ?  
107  1  1  A  110  SER  A  2453  .  ?        ?     ?     ?  
108  1  1  A  111  ARG  A  2454  .  ?        ?     1     ?  
109  1  1  A  112  HIS  A  2455  .  ?        ?     ?     ?  
110  1  1  A  113  CYS  A  2456  .  ?        ?     ?     ?  
111  1  1  A  114  GLU  A  2457  .  ?        ?     ?     ?  
112  1  1  A  115  LEU  A  2458  .  ?        ?     1     ?  
113  1  1  A  116  ASP  A  2459  .  ?        1     2     ?  
114  1  1  A  117  ALA  A  2460  .  ?        ?     1     ?  
115  1  1  A  118  SER  A  2461  .  ?        ?     2     ?  
116  1  1  A  119  THR  A  2462  .  ?        ?     ?     ?  
117  1  1  A  120  ILE  A  2463  .  ?        ?     3     ?  
118  1  1  A  121  SER  A  2464  .  ?        ?     ?     ?  
119  1  1  A  125  ALA  A  2468  .  ?        ?     1     ?  
120  1  1  A  126  ALA  A  2469  .  ?        ?     ?     ?  
121  1  1  A  127  LEU  A  2470  .  ?        ?     1     ?  
122  1  1  A  128  LEU  A  2471  .  ?        ?     1     ?  
123  1  1  A  129  GLN  A  2472  .  ?        ?     2     ?  
124  1  1  A  130  SER  A  2473  .  ?        ?     ?     ?  
125  1  1  A  131  PHE  A  2474  .  ?        ?     ?     ?  
126  1  1  A  132  ILE  A  2475  .  ?        ?     ?     ?  
127  1  1  A  133  ASP  A  2476  .  ?        ?     ?     ?  
128  1  1  A  134  THR  A  2477  .  ?        ?     ?     ?  
129  1  1  A  135  ARG  A  2478  .  ?        ?     9     ?  
130  1  1  A  136  PHE  A  2479  .  ?        ?     7     ?  
131  1  1  A  137  SER  A  2480  .  ?        ?     1     ?  
132  1  1  A  138  GLU  A  2481  .  ?        ?     1     ?  
133  1  1  A  139  THR  A  2482  .  ?        ?     ?     ?  
134  1  1  A  140  PHE  A  2483  .  ?        ?     2     ?  
135  1  1  A  141  GLN  A  2484  .  ?        ?     2     ?  
136  1  1  A  142  VAL  A  2485  .  ?        ?     ?     ?  
137  1  1  A  143  GLU  A  2486  .  ?        ?     ?     ?  
138  1  1  A  144  ILE  A  2487  .  ?        ?     3     ?  
139  1  1  A  145  LEU  A  2488  .  ?        ?     2     ?  
140  1  1  A  146  ALA  A  2489  .  ?        ?     ?     ?  
141  1  1  A  147  THR  A  2490  .  ?        ?     ?     ?  
142  1  1  A  148  LYS  A  2491  .  ?        ?     ?     ?  
143  1  1  A  149  GLY  A  2492  .  ?        ?     ?     ?  
144  1  1  A  150  THR  A  2493  .  ?        ?     ?     ?  
145  1  1  A  151  GLY  A  2494  .  ?        ?     ?     ?  
146  1  1  A  152  THR  A  2495  .  ?        ?     ?     ?  
147  1  1  A  153  HIS  A  2496  .  ?        ?     1     ?  
148  1  1  A  154  VAL  A  2497  .  ?        ?     ?     ?  
149  1  1  A  155  VAL  A  2498  .  ?        ?     1     ?  
150  1  1  A  156  ARG  A  2499  .  ?        ?     2     ?  
151  1  1  A  157  LEU  A  2500  .  ?        ?     1     ?  
152  1  1  A  158  PHE  A  2501  .  ?        ?     1     ?  
153  1  1  A  159  TYR  A  2502  .  ?        ?     7     ?  
154  1  1  A  160  GLN  A  2503  .  ?        ?     3     ?  
155  1  1  A  161  SER  A  2504  .  ?        ?     2     ?  
156  1  1  A  162  LYS  A  2505  .  ?        ?     2     ?  
157  1  1  A  163  ASN  A  2506  .  ?        ?     5     ?  
158  1  1  A  164  ILE  A  2507  .  ?        ?     2     ?  
159  1  1  A  165  SER  A  2508  .  ?        ?     3     ?  
160  1  1  A  166  GLU  A  2509  .  ?        ?     1     ?  
161  1  1  A  167  LYS  A  2510  .  ?        ?     1     ?  
162  1  1  A  168  LEU  A  2511  .  ?        ?     2     ?  
163  1  1  A  169  GLN  A  2512  .  ?        ?     ?     ?  
164  1  2  B    6  ARG  C    11  .  ?        ?     6     ?  
165  1  2  B    7  GLY  C    12  .  ?        ?     1     ?  
166  1  2  B    8  ARG  C    13  .  ?        ?     3     ?  
167  1  2  B    9  GLY  C    14  .  ?        ?     ?     ?  
168  1  2  B   10  2MR  C    15  .  ?        ?     2     2  
169  1  2  B   11  GLY  C    16  .  ?        ?     ?     ?  
170  1  2  B   12  ARG  C    17  .  ?        ?     ?     ?  
171  1  3  C    .  HOH  A     1  .  ?        ?     ?     ?  
172  1  3  C    .  HOH  A     2  .  ?        ?     ?     ?  
173  1  3  C    .  HOH  A     3  .  ?        ?     ?     ?  
174  1  3  C    .  HOH  A     4  .  ?        ?     ?     ?  
175  1  3  C    .  HOH  A     5  .  ?        ?     ?     ?  
176  1  3  C    .  HOH  A     6  .  ?        ?     ?     ?  
177  1  3  C    .  HOH  A     7  .  ?        ?     1     ?  
178  1  3  C    .  HOH  A     8  .  ?        ?     1     ?  
179  1  3  C    .  HOH  A     9  .  ?        ?     ?     ?  
180  1  3  C    .  HOH  A    10  .  ?        ?     ?     ?  
181  1  3  C    .  HOH  A    11  .  ?        ?     ?     ?  
182  1  3  C    .  HOH  A    12  .  ?        ?     ?     ?  
183  1  3  C    .  HOH  A    13  .  ?        ?     ?     ?  
184  1  3  C    .  HOH  A    14  .  ?        ?     ?     ?  
185  1  3  C    .  HOH  A    15  .  ?        ?     ?     ?  
186  1  3  C    .  HOH  A    16  .  ?        ?     ?     ?  
187  1  3  C    .  HOH  A    17  .  ?        ?     2     ?  
188  1  3  C    .  HOH  A    18  .  ?        ?     ?     ?  
#
loop_
_pdbx_vrpt_model_instance_geometry.ordinal
_pdbx_vrpt_model_instance_geometry.instance_id
_pdbx_vrpt_model_instance_geometry.rotamer_class
_pdbx_vrpt_model_instance_geometry.phi
_pdbx_vrpt_model_instance_geometry.psi
_pdbx_vrpt_model_instance_geometry.ramachandran_class
_pdbx_vrpt_model_instance_geometry.flippable_sidechain
_pdbx_vrpt_model_instance_geometry.num_H_reduce
_pdbx_vrpt_model_instance_geometry.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  tt0           ?       ?  ?           ?     5   92.010     9  0.60    12  0.49  molprobity  1.000  
  2    2  mp       -109.0   132.1  Favored     ?    11   82.240     8  0.25    11  0.62  molprobity  1.000  
  3    3  m80      -109.2   131.2  Favored     1     7   82.300    11  0.16    15  0.37  molprobity  1.000  
  4    4  m-20      -68.9   132.6  Favored     ?     6   66.040     8  0.40    11  0.51  molprobity  1.000  
  5    5  p        -149.1   175.9  Favored     ?     5   61.520     6  0.44     8  0.65  molprobity  1.000  
  6    6  t        -128.4   113.8  Favored     ?     9   58.170     7  0.65    10  0.84  molprobity  1.000  
  7    7  t         -72.3   107.2  Favored     ?     9   52.680     7  0.46    10  1.07  molprobity  1.000  
  8    8  OUTLIER   -94.1   -30.4  Favored     ?     9   52.600     7  0.92    10  0.52  molprobity  1.000  
  9    9  tp-100   -131.2   149.4  Favored     1     8   60.430     9  0.42    12  0.57  molprobity  1.000  
 10   10  t80      -158.8   101.1  Allowed     ?     9   62.960    12  0.69    16  0.51  molprobity  1.000  
 11   11  m-20      -96.7    -9.0  Favored     ?     4   73.180     8  0.19    11  0.40  molprobity  1.000  
 12   12  ?         165.4  -173.1  Favored     ?     3   72.350     4  0.38     6  1.04  molprobity  1.000  
 13   13  Cg_exo    -84.6   -12.0  Favored     ?     7   73.810     8  0.27    11  0.86  molprobity  1.000  
 14   14  mmt       -94.3   -23.1  Favored     ?     9   78.450     8  0.30    10  0.42  molprobity  1.000  
 15   15  t        -141.6   101.5  Favored     ?     5   62.760     6  0.28     8  0.53  molprobity  1.000  
 16   16  p90      -156.6   139.5  Favored     ?     9   50.230    12  0.56    16  0.42  molprobity  1.000  
 17   17  m-85      -99.7   150.0  Favored     ?     9   50.710    13  0.62    18  0.43  molprobity  1.000  
 18   18  m        -141.0   168.7  Favored     ?     9   49.910     7  0.67    10  0.46  molprobity  1.000  
 19   19  mt-30    -124.5   122.8  Favored     1     8   55.450     9  0.38    12  0.54  molprobity  1.000  
 20   20  mmm       -75.5   136.3  Favored     ?     9   63.490     8  0.44    10  0.42  molprobity  1.000  
 21   21  tt0       -54.7   -20.3  Favored     ?     6   73.620     9  0.49    12  0.50  molprobity  1.000  
 22   22  p         -84.7   -22.4  Favored     ?     5   66.800     6  0.55     8  0.62  molprobity  1.000  
 23   23  m-20      -89.0    -2.7  Favored     ?     4   69.510     8  0.27    11  0.50  molprobity  1.000  
 24   24  t         -59.1   -47.3  Favored     ?     9   63.010     7  0.32    11  0.77  molprobity  1.000  
 25   25  Cg_exo    -54.5   -53.7  Favored     ?     7   61.750     8  0.24    11  0.61  molprobity  1.000  
 26   26  ?         -57.8   -42.0  Favored     ?     5   59.670     5  0.47     7  0.50  molprobity  1.000  
 27   27  tp        -63.7   -39.0  Favored     ?    11   61.460     8  0.30    11  0.83  molprobity  1.000  
 28   28  mm-40     -62.6   -36.5  Favored     ?     6   74.650     9  0.32    12  0.45  molprobity  1.000  
 29   29  tt0       -73.3   -41.7  Favored     ?     8   75.180     9  0.36    12  0.51  molprobity  1.000  
 30   30  tpp       -53.8   -44.0  Favored     ?     9   66.570     8  0.46    10  0.68  molprobity  1.000  
 31   31  m         -62.8   -44.9  Favored     ?     7   65.170     7  0.23    10  0.49  molprobity  1.000  
 32   32  m-20      -59.0   -53.9  Favored     ?     4   73.680     8  0.25    11  0.73  molprobity  1.000  
 33   33  mttm      -57.2   -36.0  Favored     ?    13   71.310     9  0.40    11  0.45  molprobity  1.000  
 34   34  mt        -81.0   -17.3  Favored     ?    11   70.410     8  0.25    11  0.61  molprobity  1.000  
 35   35  tp        -91.2   -37.8  Favored     ?    11   80.430     8  0.24    11  0.72  molprobity  1.000  
 36   36  t0        -67.9   -20.9  Favored     ?     4   86.980     8  0.40    11  0.36  molprobity  1.000  
 37   37  ?        -120.1    -5.2  Favored     ?     5   83.840     5  0.27     7  0.55  molprobity  1.000  
 38   38  tt0       -41.9   -49.3  Favored     ?     6   87.050     9  0.26    12  0.80  molprobity  1.000  
 39   39  tp-100    -68.6   -28.6  Favored     ?     8   82.220     9  0.28    12  0.81  molprobity  1.000  
 40   40  m-20      -90.0    -6.6  Favored     ?     4   77.410     8  0.35    11  0.43  molprobity  1.000  
 41   41  mt        -69.7   129.0  Favored     ?    11   67.250     8  0.28    12  0.46  molprobity  1.000  
 42   42  Cg_endo   -65.9   159.0  Favored     ?     7   68.770     8  0.31    11  0.70  molprobity  1.000  
 43   43  ?         -72.3   137.7  Favored     ?     5   69.710     5  0.24     7  0.36  molprobity  1.000  
 44   44  t80      -101.4   116.7  Favored     ?     9   69.960    12  0.59    16  0.68  molprobity  1.000  
 45   45  p        -119.2     6.7  Favored     ?     5   79.550     6  0.34     8  0.75  molprobity  1.000  
 46   46  t70       -88.8    74.7  Favored     ?     4   85.390     8  0.37    11  0.52  molprobity  1.000  
 47   47  mt        -80.3    98.1  Favored     ?    11   83.640     8  0.23    11  0.55  molprobity  1.000  
 48   48  pttt     -137.2   145.2  Favored     ?    13   81.870     9  0.49    11  0.61  molprobity  1.000  
 49   49  mt-10     -51.6   124.9  Favored     ?     6   78.090     9  0.34    12  0.36  molprobity  1.000  
 50   50  ?         104.5   -28.0  Favored     ?     3   67.230     4  0.25     5  0.67  molprobity  1.000  
 51   51  ?         -54.6   142.6  Favored     ?     5   63.280     5  0.16     7  0.54  molprobity  1.000  
 52   52  OUTLIER   -98.3   143.5  Favored     ?    11   60.250     8  0.37    11  0.66  molprobity  1.000  
 53   53  p        -164.9  -164.7  Allowed     ?     5   61.440     6  0.90     8  0.70  molprobity  1.000  
 54   54  t        -124.2   111.6  Favored     ?     9   55.960     7  0.59    10  0.90  molprobity  1.000  
 55   55  ?        -109.0   153.1  Favored     ?     5   51.780     5  0.27     7  0.34  molprobity  1.000  
 56   56  tt0       -87.1   129.7  Favored     ?     8   59.260     9  0.29    12  0.54  molprobity  1.000  
 57   57  t80       -87.6   107.7  Favored     ?     9   54.150    12  0.59    17  0.53  molprobity  1.000  
 58   58  Cg_exo    -37.3   -42.6  Allowed     ?     7   67.080     8  0.27    11  0.77  molprobity  1.000  
 59   59  mt-10     -68.0   -36.4  Favored     ?     6   75.350     9  0.31    12  0.67  molprobity  1.000  
 60   60  m-20      -95.5   -38.4  Favored     ?     4   73.070     8  0.42    11  0.66  molprobity  1.000  
 61   61  mm-40      78.4    19.1  Allowed     ?     6   72.090     9  0.26    12  1.14  molprobity  1.000  
 62   62  t        -106.9   146.5  Favored     ?     9   54.200     7  0.21    10  0.72  molprobity  1.000  
 63   63  m-85      -93.4   134.1  Favored     ?     9   47.290    12  0.66    16  0.38  molprobity  1.000  
 64   64  m-85     -132.4   154.4  Favored     ?     9   47.370    13  0.59    18  0.55  molprobity  1.000  
 65   65  mtm180    -57.6   129.4  Favored     ?    13   50.350    11  0.36    14  0.86  molprobity  1.000  
 66   66  ?        -143.7   162.8  Favored     ?     5   51.740     5  0.63     7  0.74  molprobity  1.000  
 67   67  tt0      -128.7   121.8  Favored     ?     8   61.260     9  0.57    12  0.49  molprobity  1.000  
 68   68  mt        -62.8   131.3  Favored     ?    11   54.340     8  0.23    11  0.64  molprobity  1.000  
 69   69  mmt85    -105.6   -37.6  Favored     ?    13   64.190    11  0.33    14  0.67  molprobity  1.000  
 70   70  mttt     -151.9   149.1  Favored     ?    13   73.980     9  0.48    11  0.93  molprobity  1.000  
 71   71  t        -101.6   118.5  Favored     ?     9   75.820     7  0.35    10  0.82  molprobity  1.000  
 72   72  mt        -98.5  -161.2  Allowed     ?    11   80.810     8  0.37    11  0.58  molprobity  1.000  
 73   73  m-20      -91.3   150.2  Favored     ?     4   95.170     8  0.28    11  0.63  molprobity  1.000  
 74   74  m-20       55.4    56.6  Favored     ?     4   97.860     8  0.31    11  0.60  molprobity  1.000  
 75   75  ?          75.4   -21.1  Allowed     ?     3   92.300     4  0.19     5  0.60  molprobity  1.000  
 76   76  mttt      -62.8   141.5  Favored     ?    13   87.950     9  0.34    11  0.45  molprobity  1.000  
 77   77  m        -142.1   138.0  Favored     ?     5   76.300     6  0.76     8  0.94  molprobity  1.000  
 78   78  tt0       -83.8   119.3  Favored     ?     6   72.240     9  0.52    12  0.83  molprobity  1.000  
 79   79  m        -114.1   162.8  Favored     ?     9   51.910     7  0.33    10  0.58  molprobity  1.000  
 80   80  t60      -123.0   127.1  Favored     ?     7   45.700    11  0.39    15  0.53  molprobity  1.000  
 81   81  m-85      -88.9    93.8  Favored     ?     9   44.490    12  0.68    16  0.69  molprobity  1.000  
 82   82  pp        -50.7   -34.4  Favored     ?    11   50.040     8  0.35    11  0.95  molprobity  1.000  
 83   83  m-20      -86.3    -2.0  Favored     ?     4   50.880     8  0.37    11  0.51  molprobity  1.000  
 84   84  m-85     -120.1   -59.7  Allowed     ?     9   44.140    12  0.86    16  0.58  molprobity  1.000  
 85   85  ?         125.8   -16.9  Favored     ?     3   52.290     4  0.42     5  0.43  molprobity  1.000  
 86   86  p-10      -90.0   166.3  Favored     ?     6   52.970     8  0.44    11  0.57  molprobity  1.000  
 87   87  m120     -114.2   171.8  Favored     ?     6   55.720     8  0.26    11  0.51  molprobity  1.000  
 88   88  ?        -175.1   160.4  Favored     ?     5   52.390     5  0.46     7  0.34  molprobity  1.000  
 89   89  t        -111.0   132.9  Favored     ?     9   51.100     7  0.34    10  0.98  molprobity  1.000  
 90   90  t        -151.6   177.1  Favored     ?     7   51.510     7  0.41    10  0.64  molprobity  1.000  
 91   91  mt-30    -131.1    -7.6  Favored     ?     8   61.850     9  0.48    12  0.66  molprobity  1.000  
 92   92  mm-40     -97.1   102.0  Favored     ?     8   60.910     9  0.29    12  0.59  molprobity  1.000  
 93   93  m-85     -119.2   146.3  Favored     ?     9   60.870    12  0.74    16  0.44  molprobity  1.000  
 94   94  mtt180   -139.4   161.1  Favored     ?    13   57.810    11  0.37    14  0.99  molprobity  1.000  
 95   95  OUTLIER   -65.3   151.4  Favored     ?     8   64.070     9  0.45    12  0.57  molprobity  1.000  
 96   96  tp       -113.2   108.3  Favored     ?    11   55.960     8  0.25    12  0.76  molprobity  1.000  
 97   97  Cg_exo    -48.6   138.8  Favored     ?     7   58.870     8  0.23    11  0.68  molprobity  1.000  
 98   98  mp0       -65.0   -23.5  Favored     ?     6   64.530     9  0.32    12  0.44  molprobity  1.000  
 99   99  OUTLIER   -71.9   -33.9  Favored     ?     6   68.450     9  0.57    12  0.56  molprobity  1.000  
100  100  mt        -96.0    18.8  Favored     ?    11   58.330     8  0.29    11  0.56  molprobity  1.000  
101  101  ?        -119.5   -15.9  Favored     ?     5   55.850     5  0.48     7  0.85  molprobity  1.000  
102  102  mttm      -66.7   -42.9  Favored     ?    13   61.730     9  0.56    12  0.44  molprobity  1.000  
103  103  Cg_exo    -57.0   153.2  Favored     ?     7   57.280     8  0.34    11  0.57  molprobity  1.000  
104  104  ?         -76.4   165.7  Favored     ?     5   57.740     5  0.31     7  0.46  molprobity  1.000  
105  105  ptm180    -65.1   141.4  Favored     ?    13   57.160    11  0.39    14  0.78  molprobity  1.000  
106  106  m-85      -95.5     5.7  Favored     ?     9   63.510    13  0.56    18  0.51  molprobity  1.000  
107  107  p        -121.6   143.4  Favored     ?     5   53.210     6  0.43     8  1.33  molprobity  1.000  
108  108  mtt180   -113.8   126.5  Favored     ?    13   53.860    11  0.38    14  0.76  molprobity  1.000  
109  109  t-80      -67.1   132.0  Favored     ?     7   53.650    11  0.28    15  0.41  molprobity  1.000  
110  110  m        -133.7   179.6  Favored     ?     5   55.240     6  0.46     8  1.33  molprobity  1.000  
111  111  pt-20    -176.3   153.6  Allowed     ?     6   66.840     9  0.41    12  0.44  molprobity  1.000  
112  112  mt        -98.7   158.6  Favored     ?    11   71.790     8  0.29    11  0.94  molprobity  1.000  
113  113  t0        -66.7   121.3  Favored     ?     4   48.780     8  0.14    11  1.80  molprobity  1.000  
114  114  ?         -64.3   -26.9  Favored     ?     5   83.440     5  0.34     7  0.85  molprobity  1.000  
115  115  t         -60.1   -18.1  Favored     ?     5   87.970     6  0.36     8  0.58  molprobity  1.000  
116  116  p        -117.7     7.0  Favored     ?     7   88.860     7  0.23    10  0.79  molprobity  1.000  
117  117  pp       -131.6   137.4  Favored     ?    11   91.630     8  0.32    11  0.69  molprobity  1.000  
118  118  ?             ?       ?  ?           ?     2   91.560     4  0.10     4  0.26  molprobity  1.000  
119  119  ?             ?       ?  ?           ?     4   87.700     5  0.22     7  0.31  molprobity  1.000  
120  120  ?         -46.7   -11.2  OUTLIER     ?     5   86.590     5  0.33     7  0.48  molprobity  1.000  
121  121  ?         -78.1   -42.4  Favored     ?     2   83.830     5  0.19     7  0.26  molprobity  1.000  
122  122  OUTLIER   -78.2   -33.3  Favored     ?    11   79.160     8  0.22    11  0.62  molprobity  1.000  
123  123  tp-100    -51.8   -59.4  Favored     1     8   79.780     9  0.41    12  0.39  molprobity  1.000  
124  124  p         -61.8   -32.2  Favored     ?     5   75.430     6  0.15     8  0.25  molprobity  1.000  
125  125  t80       -63.7   -40.3  Favored     ?     9   66.410    12  0.42    16  0.32  molprobity  1.000  
126  126  mm        -75.1   -48.9  Favored     ?    11   70.950     8  0.56    11  0.79  molprobity  1.000  
127  127  m-20      -60.3   -32.0  Favored     ?     4   74.970     8  0.45    11  0.44  molprobity  1.000  
128  128  m         -68.9    -9.7  Favored     ?     7   67.790     7  0.28    10  0.46  molprobity  1.000  
129  129  mtt85    -125.7    30.4  Favored     ?    13   64.220    11  0.30    14  0.80  molprobity  1.000  
130  130  p90       -51.2   -30.2  Favored     ?     9   68.400    12  0.65    16  0.41  molprobity  1.000  
131  131  p        -100.5    29.2  Favored     ?     5   68.170     6  0.23     8  0.55  molprobity  1.000  
132  132  mt-10    -131.0   157.3  Favored     ?     6   78.250     9  0.40    12  0.49  molprobity  1.000  
133  133  m         -83.4   130.7  Favored     ?     7   69.810     7  0.32    10  0.91  molprobity  1.000  
134  134  m-85     -114.8  -168.2  Allowed     ?     9   67.100    12  0.80    16  0.62  molprobity  1.000  
135  135  mt-30    -149.1   140.0  Favored     ?     8   68.590     9  0.50    12  0.36  molprobity  1.000  
136  136  m        -123.3   150.1  Favored     ?     9   66.370     7  0.56    10  0.97  molprobity  1.000  
137  137  tt0      -120.2   109.9  Favored     ?     6   77.900     9  0.47    12  1.46  molprobity  1.000  
138  138  mp        -78.1   110.3  Favored     ?    11   72.250     8  0.37    11  0.95  molprobity  1.000  
139  139  mt        -82.4   -26.4  Favored     ?    11   69.270     8  0.23    11  0.43  molprobity  1.000  
140  140  ?        -176.6   166.8  Favored     ?     5   70.840     5  0.25     7  0.26  molprobity  1.000  
141  141  m        -120.1   105.5  Favored     ?     7   68.760     7  0.28    10  0.83  molprobity  1.000  
142  142  mttt      -57.1   160.3  Favored     ?    13   71.220     9  0.25    11  0.33  molprobity  1.000  
143  143  ?         -52.5   -26.3  Favored     ?     3   68.330     4  0.27     5  0.73  molprobity  1.000  
144  144  p         -98.8    15.9  Favored     ?     7   71.050     7  0.36    10  0.73  molprobity  1.000  
145  145  ?          92.9   -19.1  Favored     ?     3   71.010     4  0.28     5  0.39  molprobity  1.000  
146  146  m         -69.2   121.0  Favored     ?     7   68.390     7  0.19    10  0.73  molprobity  1.000  
147  147  m-70      -74.9   145.3  Favored     ?     7   66.770    11  0.33    15  0.56  molprobity  1.000  
148  148  t        -112.0   117.1  Favored     ?     9   64.480     7  0.50    10  1.21  molprobity  1.000  
149  149  m        -138.2  -170.6  Allowed     ?     9   69.360     7  0.32    10  1.29  molprobity  1.000  
150  150  mtt180   -130.0   128.8  Favored     ?    13   82.110    11  0.47    14  1.08  molprobity  1.000  
151  151  tp        -98.4   128.1  Favored     ?    11   75.880     8  0.29    11  0.57  molprobity  1.000  
152  152  m-85     -114.4   152.0  Favored     ?     9   86.530    12  0.62    16  0.41  molprobity  1.000  
153  153  t80      -138.5    85.4  Favored     ?     9   43.100    13  0.25    18  0.28  molprobity  1.000  
154  154  mt-30      71.0    26.0  Favored     ?     8   90.910     9  0.31    12  0.45  molprobity  1.000  
155  155  m          99.2     5.8  OUTLIER     ?     5   92.210     6  0.67     8  0.93  molprobity  1.000  
156  156  ?        -106.4   100.9  Favored     ?     2   90.680     5  0.54     7  0.71  molprobity  1.000  
157  157  t-20      -52.4   112.8  Allowed     ?     6   89.990     8  0.56    11  1.45  molprobity  1.000  
158  158  pt        -54.6    -6.7  Allowed     ?    11   93.080     8  0.48    11  0.82  molprobity  1.000  
159  159  p         -64.3   -20.2  Favored     ?     5   96.640     6  0.35     8  0.36  molprobity  1.000  
160  160  OUTLIER   -61.4   -23.9  Favored     ?     6   98.490     9  0.64    12  0.76  molprobity  1.000  
161  161  ?         -87.4    30.0  Allowed     ?     2   81.490     5  0.38     7  0.72  molprobity  1.000  
162  162  mt       -137.6   103.4  Favored     ?    11   99.810     8  0.25    11  1.37  molprobity  1.000  
163  163  mp0           ?       ?  ?           ?     8   99.940     8  0.52     9  0.49  molprobity  1.000  
164  164  ptt180        ?       ?  ?           ?    12   83.430    11  0.80    14  1.17  molprobity  1.000  
165  165  ?         106.6  -121.6  Favored     ?     3   76.300     4  0.80     5  1.09  molprobity  1.000  
166  166  mmt180   -169.2   146.6  Favored     ?    13   73.880    11  0.73    14  0.91  molprobity  1.000  
167  167  ?          62.1    41.2  Favored     ?     3   66.160     3  0.54     2  1.47  molprobity  1.000  
168  168  ?             ?       ?  ?           ?    16   60.740    10  0.87     5  0.87  mogul       1.000  
169  169  ?          80.3    97.5  Allowed     ?     3   81.260     4  0.38     5  0.59  molprobity  1.000  
170  170  ?             ?       ?  ?           ?     2   90.720     4  0.54     4  0.65  molprobity  1.000  
171  171  ?             ?       ?  ?           ?     ?   41.650     ?     ?     ?     ?  ?           1.000  
172  172  ?             ?       ?  ?           ?     ?   62.630     ?     ?     ?     ?  ?           1.000  
173  173  ?             ?       ?  ?           ?     ?   64.350     ?     ?     ?     ?  ?           1.000  
174  174  ?             ?       ?  ?           ?     ?   76.880     ?     ?     ?     ?  ?           1.000  
175  175  ?             ?       ?  ?           ?     ?   50.580     ?     ?     ?     ?  ?           1.000  
176  176  ?             ?       ?  ?           ?     ?   75.230     ?     ?     ?     ?  ?           1.000  
177  177  ?             ?       ?  ?           ?     ?   77.590     ?     ?     ?     ?  ?           1.000  
178  178  ?             ?       ?  ?           ?     ?   78.770     ?     ?     ?     ?  ?           1.000  
179  179  ?             ?       ?  ?           ?     ?   66.260     ?     ?     ?     ?  ?           1.000  
180  180  ?             ?       ?  ?           ?     ?   68.280     ?     ?     ?     ?  ?           1.000  
181  181  ?             ?       ?  ?           ?     ?   66.440     ?     ?     ?     ?  ?           1.000  
182  182  ?             ?       ?  ?           ?     ?   57.270     ?     ?     ?     ?  ?           1.000  
183  183  ?             ?       ?  ?           ?     ?   74.170     ?     ?     ?     ?  ?           1.000  
184  184  ?             ?       ?  ?           ?     ?   69.810     ?     ?     ?     ?  ?           1.000  
185  185  ?             ?       ?  ?           ?     ?   67.930     ?     ?     ?     ?  ?           1.000  
186  186  ?             ?       ?  ?           ?     ?   67.270     ?     ?     ?     ?  ?           1.000  
187  187  ?             ?       ?  ?           ?     ?   71.360     ?     ?     ?     ?  ?           1.000  
188  188  ?             ?       ?  ?           ?     ?  100.000     ?     ?     ?     ?  ?           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    1  OE2    1  0.44  2.21  
  2    2  HD23   2  0.45  2.16  
  3    3  HB3    3  0.49  1.95  
  4   10  HD1    4  0.44  1.66  
  5   10  HD1    5  0.43  2.17  
  6   13  HB3    6  0.66  1.77  
  7   14  HB2    7  0.56  2.05  
  8   17  CD1    8  0.46  2.84  
  9   17  N      8  0.46  2.84  
 10   19  NE2    9  0.61  2.15  
 11   19  HE22  10  0.60  1.66  
 12   20  HE3    3  0.49  1.95  
 13   29  HG2   11  0.41  2.03  
 14   30  SD    12  0.42  2.59  
 15   33  HD2   11  0.41  2.03  
 16   35  HD12  13  0.42  1.86  
 17   35  HA    13  0.42  1.86  
 18   38  OE2   14  0.48  1.97  
 19   39  HG2   15  0.79  1.83  
 20   39  CG    16  0.48  2.50  
 21   42  HG2   17  0.63  1.81  
 22   54  HG12  18  0.77  1.66  
 23   54  CG1   19  0.58  2.33  
 24   60  HB3   20  0.69  1.74  
 25   60  HB3   21  0.56  2.35  
 26   60  O     22  0.55  2.07  
 27   60  O     23  0.45  2.64  
 28   61  HB2   22  0.55  2.07  
 29   61  CB    23  0.45  2.64  
 30   62  HG23  20  0.69  1.74  
 31   62  CG2   21  0.56  2.35  
 32   63  HB3   18  0.77  1.66  
 33   63  HB3   19  0.58  2.33  
 34   63  HD1   14  0.48  1.97  
 35   65  HD3   12  0.42  2.59  
 36   69  HH11  24  0.51  1.74  
 37   69  HG3   24  0.51  1.74  
 38   77  HB2   25  0.67  2.30  
 39   77  HB2   26  0.61  1.65  
 40   82  HD12  27  0.43  2.18  
 41   83  OD1   27  0.43  2.18  
 42   93  CZ    25  0.67  2.30  
 43   93  HZ    26  0.61  1.65  
 44   95  HB2   17  0.63  1.81  
 45   98  O     28  0.59  2.02  
 46   98  N     29  0.57  2.37  
 47   98  OE1   29  0.57  2.37  
 48  102  HG3   28  0.59  2.02  
 49  102  N     30  0.41  2.83  
 50  103  CD    30  0.41  2.83  
 51  108  HD3   31  0.41  2.36  
 52  112  HD12   6  0.66  1.77  
 53  113  OD2   32  0.51  2.09  
 54  113  CG    33  0.45  2.37  
 55  114  HA    34  0.42  2.01  
 56  115  HB3   32  0.51  2.09  
 57  115  HB3   33  0.45  2.37  
 58  117  HG13  34  0.42  2.01  
 59  117  HD12  35  0.41  2.21  
 60  117  O     35  0.41  2.21  
 61  119  O     36  0.42  2.53  
 62  121  N     36  0.42  2.53  
 63  122  HD12  37  0.44  2.00  
 64  123  HE22   4  0.44  1.66  
 65  123  NE2    5  0.43  2.17  
 66  129  CD    38  0.57  2.87  
 67  129  CD    39  0.54  2.89  
 68  129  HD3   40  0.56  2.41  
 69  129  HD3   41  0.55  2.05  
 70  129  HD3   42  0.49  2.48  
 71  129  HD3   43  0.40  2.21  
 72  129  HH11  44  0.50  1.77  
 73  129  HG3   44  0.50  1.77  
 74  129  HD2   45  0.45  2.50  
 75  130  HB2   46  0.76  1.66  
 76  130  HB2   47  0.58  1.68  
 77  130  HB2   48  0.40  2.45  
 78  130  CB    49  0.75  2.00  
 79  130  CB    50  0.63  2.61  
 80  130  HB3   51  0.64  2.13  
 81  130  CD1   52  0.41  2.89  
 82  131  N     52  0.41  2.89  
 83  132  OE1   41  0.55  2.05  
 84  134  CD1   53  0.43  2.87  
 85  134  N     53  0.43  2.87  
 86  135  HB2   54  0.46  1.97  
 87  135  OE1    2  0.45  2.16  
 88  138  HA    55  0.83  1.60  
 89  138  HD12  56  0.43  2.34  
 90  138  N     56  0.43  2.34  
 91  139  HD11  57  0.46  1.80  
 92  139  HD11  58  0.44  2.32  
 93  147  NE2   31  0.41  2.36  
 94  149  HG12  55  0.83  1.60  
 95  150  HE    57  0.46  1.80  
 96  150  NE    58  0.44  2.32  
 97  151  HB3   59  0.48  1.96  
 98  152  HB2   54  0.46  1.97  
 99  153  CZ    38  0.57  2.87  
100  153  CZ    42  0.49  2.48  
101  153  CE1   40  0.56  2.41  
102  153  CE1   39  0.54  2.89  
103  153  CE1   45  0.45  2.50  
104  153  O     60  0.49  2.13  
105  153  OH    43  0.40  2.21  
106  154  O     61  0.68  1.94  
107  154  O     62  0.57  2.52  
108  154  HB2   60  0.49  2.13  
109  155  HB2   61  0.68  1.94  
110  155  CB    62  0.57  2.52  
111  156  O     63  0.45  2.54  
112  156  O     64  0.43  2.52  
113  157  O     65  0.50  2.12  
114  157  O     66  0.40  2.54  
115  157  C     63  0.45  2.54  
116  157  C     67  0.45  2.20  
117  157  C     68  0.42  2.72  
118  158  HG12  59  0.48  1.96  
119  158  N     64  0.43  2.52  
120  159  H     67  0.45  2.20  
121  159  N     68  0.42  2.72  
122  159  N     66  0.40  2.54  
123  160  HG3   65  0.50  2.12  
124  161  O     69  0.52  2.09  
125  162  HD23  69  0.52  2.09  
126  162  HD21  37  0.44  2.00  
127  164  HD3   46  0.76  1.66  
128  164  HH11  49  0.75  2.00  
129  164  HH11  47  0.58  1.68  
130  164  NH1   51  0.64  2.13  
131  164  NH1   50  0.63  2.61  
132  164  CD    48  0.40  2.45  
133  165  O     70  0.41  2.18  
134  166  HB2    9  0.61  2.15  
135  166  HB2   10  0.60  1.66  
136  166  HG2   70  0.41  2.18  
137  168  HD2   71  0.41  1.79  
138  168  HA    71  0.41  1.79  
139  177  O      1  0.44  2.21  
140  178  O      7  0.56  2.05  
141  187  O     15  0.79  1.83  
142  187  O     16  0.48  2.50  
#
_pdbx_vrpt_instance_intra_angle_outliers.ordinal      1
_pdbx_vrpt_instance_intra_angle_outliers.instance_id  113
_pdbx_vrpt_instance_intra_angle_outliers.atom_1       CB
_pdbx_vrpt_instance_intra_angle_outliers.atom_2       CG
_pdbx_vrpt_instance_intra_angle_outliers.atom_3       OD2
_pdbx_vrpt_instance_intra_angle_outliers.obs          123.031
_pdbx_vrpt_instance_intra_angle_outliers.mean         118.300
_pdbx_vrpt_instance_intra_angle_outliers.stdev        0.900
_pdbx_vrpt_instance_intra_angle_outliers.Z            5.26
#
loop_
_pdbx_vrpt_instance_mogul_torsion_outliers.ordinal
_pdbx_vrpt_instance_mogul_torsion_outliers.instance_id
_pdbx_vrpt_instance_mogul_torsion_outliers.atom_1
_pdbx_vrpt_instance_mogul_torsion_outliers.atom_2
_pdbx_vrpt_instance_mogul_torsion_outliers.atom_3
_pdbx_vrpt_instance_mogul_torsion_outliers.atom_4
_pdbx_vrpt_instance_mogul_torsion_outliers.obsval
_pdbx_vrpt_instance_mogul_torsion_outliers.mean
_pdbx_vrpt_instance_mogul_torsion_outliers.numobs
_pdbx_vrpt_instance_mogul_torsion_outliers.stdev
_pdbx_vrpt_instance_mogul_torsion_outliers.mindiff
_pdbx_vrpt_instance_mogul_torsion_outliers.local_density
1  168  C   CA  CB  CG  150.65   67.66   79  32.71  7.92  2.53  
2  168  CA  CB  CG  CD  -53.71  100.86  566  35.93  0.81  3.18  
#
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   9  0.646  0.301   0.837  
  2    2   8  0.866  0.269   0.654  
  3    3  10  0.900  0.219   0.379  
  4    4   8  0.947  0.156  -0.444  
  5    5   6  0.973  0.172   0.199  
  6    6   7  0.960  0.201  -0.026  
  7    7   7  0.964  0.237   0.417  
  8    8   7  0.968  0.255   0.638  
  9    9   9  0.933  0.194  -0.204  
 10   10  11  0.946  0.298   1.068  
 11   11   8  0.913  0.359   2.072  
 12   12   4  0.883  0.310   1.600  
 13   13   7  0.941  0.395   2.706  
 14   14   8  0.894  0.356   2.091  
 15   15   6  0.958  0.219   0.553  
 16   16  11  0.969  0.226   0.206  
 17   17  12  0.958  0.172  -0.346  
 18   18   7  0.979  0.203  -0.001  
 19   19   9  0.964  0.209  -0.025  
 20   20   8  0.934  0.311   1.522  
 21   21   9  0.853  0.294   0.760  
 22   22   6  0.942  0.138  -0.529  
 23   23   8  0.910  0.197   0.060  
 24   24   7  0.951  0.200  -0.038  
 25   25   7  0.953  0.171  -0.163  
 26   26   5  0.951  0.143  -0.504  
 27   27   8  0.966  0.209  -0.074  
 28   28   9  0.892  0.330   1.155  
 29   29   9  0.865  0.315   1.238  
 30   30   8  0.965  0.204   0.167  
 31   31   7  0.937  0.183  -0.010  
 32   32   8  0.870  0.258   0.817  
 33   33   9  0.927  0.293   0.496  
 34   34   8  0.954  0.239   0.290  
 35   35   8  0.911  0.235   0.242  
 36   36   8  0.782  0.298   1.314  
 37   37   5  0.880  0.232   0.598  
 38   38   9  0.871  0.273   0.530  
 39   39   9  0.878  0.223   0.142  
 40   40   8  0.911  0.238   0.569  
 41   41   8  0.974  0.270   0.666  
 42   42   7  0.965  0.192   0.106  
 43   43   5  0.934  0.218   0.425  
 44   44  11  0.950  0.252   0.517  
 45   45   6  0.882  0.171  -0.088  
 46   46   8  0.908  0.140  -0.648  
 47   47   8  0.941  0.322   1.297  
 48   48   9  0.783  0.263   0.195  
 49   49   9  0.818  0.243   0.201  
 50   50   4  0.943  0.133  -0.473  
 51   51   5  0.940  0.214   0.375  
 52   52   8  0.940  0.283   0.824  
 53   53   6  0.949  0.155  -0.069  
 54   54   7  0.952  0.276   0.897  
 55   55   5  0.981  0.243   0.734  
 56   56   9  0.947  0.177  -0.406  
 57   57  11  0.969  0.250   0.493  
 58   58   7  0.952  0.167  -0.214  
 59   59   9  0.879  0.237   0.135  
 60   60   8  0.922  0.251   0.730  
 61   61   9  0.909  0.194  -0.337  
 62   62   7  0.981  0.194  -0.112  
 63   63  11  0.955  0.212   0.038  
 64   64  12  0.959  0.235   0.477  
 65   65  11  0.973  0.252   0.275  
 66   66   5  0.962  0.259   0.932  
 67   67   9  0.901  0.306   1.131  
 68   68   8  0.962  0.219   0.086  
 69   69  11  0.911  0.305   0.837  
 70   70   9  0.908  0.257   0.135  
 71   71   7  0.960  0.197  -0.075  
 72   72   8  0.913  0.194  -0.256  
 73   73   8  0.816  0.307   1.426  
 74   74   8  0.694  0.388   2.432  
 75   75   4  0.893  0.227   0.628  
 76   76   9  0.879  0.251   0.074  
 77   77   6  0.928  0.277   1.855  
 78   78   9  0.897  0.321   1.056  
 79   79   7  0.972  0.233   0.368  
 80   80  10  0.954  0.251   0.796  
 81   81  11  0.971  0.228   0.230  
 82   82   8  0.959  0.254   0.515  
 83   83   8  0.929  0.146  -0.574  
 84   84  11  0.957  0.219   0.122  
 85   85   4  0.975  0.186   0.148  
 86   86   8  0.969  0.209   0.252  
 87   87   8  0.975  0.205   0.200  
 88   88   5  0.972  0.187   0.041  
 89   89   7  0.963  0.322   1.462  
 90   90   7  0.952  0.246   0.848  
 91   91   9  0.932  0.193  -0.216  
 92   92   9  0.975  0.175  -0.430  
 93   93  11  0.968  0.260   0.613  
 94   94  11  0.938  0.196  -0.319  
 95   95   9  0.931  0.273   0.738  
 96   96   8  0.953  0.198  -0.208  
 97   97   7  0.977  0.187   0.042  
 98   98   9  0.869  0.245   0.223  
 99   99   9  0.786  0.357   1.451  
100  100   8  0.969  0.218   0.035  
101  101   5  0.952  0.218   0.425  
102  102   9  0.931  0.164  -0.799  
103  103   7  0.934  0.184   0.004  
104  104   5  0.961  0.215   0.387  
105  105  11  0.951  0.162  -0.680  
106  106  12  0.941  0.196  -0.033  
107  107   6  0.951  0.179   0.019  
108  108  11  0.927  0.202  -0.256  
109  109  10  0.951  0.157  -0.431  
110  110   6  0.944  0.149  -0.164  
111  111   9  0.904  0.326   1.111  
112  112   8  0.914  0.305   1.091  
113  113   8  0.392  0.463   3.364  
114  114   5  0.848  0.424   2.974  
115  115   6  0.855  0.599   5.626  
116  116   7  0.878  0.175  -0.118  
117  117   8  0.736  0.379   2.047  
118  118   5  0.786  0.222   0.593  
119  119   5  0.914  0.123  -0.751  
120  120   5  0.908  0.242   0.722  
121  121   5  0.893  0.244   0.351  
122  122   8  0.927  0.259   0.533  
123  123   9  0.882  0.338   1.513  
124  124   6  0.905  0.212   0.459  
125  125  11  0.953  0.158  -0.608  
126  126   8  0.946  0.230   0.221  
127  127   8  0.881  0.231   0.482  
128  128   7  0.966  0.208   0.331  
129  129  11  0.930  0.185  -0.436  
130  130  11  0.947  0.165  -0.525  
131  131   6  0.941  0.159  -0.248  
132  132   9  0.829  0.283   0.639  
133  133   7  0.961  0.152  -0.431  
134  134  11  0.939  0.263   0.649  
135  135   9  0.901  0.210  -0.013  
136  136   7  0.979  0.262   0.724  
137  137   9  0.867  0.356   1.440  
138  138   8  0.943  0.255   0.527  
139  139   8  0.940  0.210  -0.062  
140  140   5  0.953  0.174  -0.120  
141  141   7  0.976  0.217   0.453  
142  142   9  0.904  0.238  -0.056  
143  143   4  0.929  0.239   0.768  
144  144   7  0.919  0.164  -0.268  
145  145   4  0.958  0.128  -0.532  
146  146   7  0.949  0.220   0.494  
147  147  10  0.921  0.259   0.901  
148  148   7  0.966  0.206   0.036  
149  149   7  0.960  0.216   0.159  
150  150  11  0.830  0.318   0.975  
151  151   8  0.898  0.390   2.123  
152  152  11  0.858  0.359   1.799  
153  153  12  0.489  0.391   2.516  
154  154   9  0.891  0.216   0.058  
155  155   6  0.894  0.183   0.072  
156  156   5  0.882  0.230  -0.137  
157  157   8  0.834  0.258   0.896  
158  158   8  0.904  0.554   4.191  
159  159   6  0.903  0.362   2.462  
160  160   9  0.532  0.332   1.177  
161  161   5  0.656  0.310   0.667  
162  162   8  0.681  0.367   1.843  
163  163   9  0.591  0.367   1.858  
164  164  11  0.824  0.307   0.858  
165  165   4  0.881  0.223   0.581  
166  166  11  0.891  0.237   0.116  
167  167   4  0.957  0.226   0.616  
168  168  13  0.917  0.248       ?  
169  169   4  0.932  0.156  -0.204  
170  170   5  0.809  0.279   0.561  
171  171   1  0.901  0.436       ?  
172  172   1  0.795  0.356       ?  
173  173   1  0.497  0.350       ?  
174  174   1  0.776  0.673       ?  
175  175   1  0.764  0.445       ?  
176  176   1  0.250  0.542       ?  
177  177   1  0.882  0.583       ?  
178  178   1  0.012  0.425       ?  
179  179   1  0.465  0.658       ?  
180  180   1  0.954  0.199       ?  
181  181   1  0.313  0.499       ?  
182  182   1  0.732  0.495       ?  
183  183   1  0.675  0.307       ?  
184  184   1  0.923  0.129       ?  
185  185   1  0.223  0.706       ?  
186  186   1  0.771  1.025       ?  
187  187   1  0.410  0.732       ?  
188  188   1  0.889  0.625       ?  
#
loop_
_pdbx_vrpt_software.ordinal
_pdbx_vrpt_software.name
_pdbx_vrpt_software.version
_pdbx_vrpt_software.success_y_or_n
1  molprobity   4.02b-467                                                             Y  
2  mogul        "1.8.5 (274361), CSD as541be (2020)"                                  Y  
3  eds          2.36                                                                  Y  
4  dcc          '"2.27  (2023-04-10)"'                                                Y  
5  xtriage      1.13                                                                  Y  
6  percentiles  "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
