NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
647041 |
6obk   |
30592 | cing | 2-parsed | STAR | dihedral angle | 66 |
data_6obk_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6obk
_Study_list.ID 1
loop_
_Study.ID
_Study.Name
_Study.Type
_Study.Details
_Study.Entry_ID
_Study.Study_list_ID
1 "Conversion project" NMR . parsed_6obk 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6obk
_Entry.Title "Original constraint list(s)"
_Entry.Version_type original
_Entry.Submission_date .
_Entry.Accession_date .
_Entry.Last_release_date .
_Entry.Original_release_date .
_Entry.Origination .
_Entry.NMR_STAR_version 3.1
_Entry.Original_NMR_STAR_version .
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype .
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 6obk "Master copy" parsed_6obk
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6obk
_Constraint_stat_list.ID 1
loop_
_Constraint_file.ID
_Constraint_file.Constraint_filename
_Constraint_file.Software_ID
_Constraint_file.Software_label
_Constraint_file.Software_name
_Constraint_file.Block_ID
_Constraint_file.Constraint_type
_Constraint_file.Constraint_subtype
_Constraint_file.Constraint_subsubtype
_Constraint_file.Constraint_number
_Constraint_file.Entry_ID
_Constraint_file.Constraint_stat_list_ID
1 6obk.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6obk 1
1 6obk.mr . . DYANA/DIANA 2 "dihedral angle" "Not applicable" "Not applicable" 66 parsed_6obk 1
1 6obk.mr . . DYANA/DIANA 3 distance NOE simple 0 parsed_6obk 1
1 6obk.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6obk 1
stop_
save_
save_DYANA/DIANA_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_6obk
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 2
_Torsion_angle_constraint_list.Details "Generated by Wattos"
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.2 -42.2 . . 4 GLU . . . . . . . . . . . . . parsed_6obk 1
2 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.2 -18.2 . . 4 GLU . . . . . . . . . . . . . parsed_6obk 1
3 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.8 -48.8 . . 5 HIS . . . . . . . . . . . . . parsed_6obk 1
4 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 -20.0 . . 5 HIS . . . . . . . . . . . . . parsed_6obk 1
5 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.2 -44.2 . . 6 ILE . . . . . . . . . . . . . parsed_6obk 1
6 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.1 -25.1 . . 6 ILE . . . . . . . . . . . . . parsed_6obk 1
7 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.8 -45.8 . . 7 LEU . . . . . . . . . . . . . parsed_6obk 1
8 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.6 -18.6 . . 7 LEU . . . . . . . . . . . . . parsed_6obk 1
9 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.1 -46.1 . . 8 ALA . . . . . . . . . . . . . parsed_6obk 1
10 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.7 -19.7 . . 8 ALA . . . . . . . . . . . . . parsed_6obk 1
11 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.8 -46.8 . . 9 GLN . . . . . . . . . . . . . parsed_6obk 1
12 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.4 -16.4 . . 9 GLN . . . . . . . . . . . . . parsed_6obk 1
13 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.6 -45.6 . . 10 LYS . . . . . . . . . . . . . parsed_6obk 1
14 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.5 -11.5 . . 10 LYS . . . . . . . . . . . . . parsed_6obk 1
15 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -101.2 -56.7 . . 11 GLU . . . . . . . . . . . . . parsed_6obk 1
16 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.0 4.7 . . 11 GLU . . . . . . . . . . . . . parsed_6obk 1
17 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -136.9 -51.5 . . 13 LEU . . . . . . . . . . . . . parsed_6obk 1
18 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.2 172.6 . . 13 LEU . . . . . . . . . . . . . parsed_6obk 1
19 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.4 -49.4 . . 14 THR . . . . . . . . . . . . . parsed_6obk 1
20 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 132.2 172.2 . . 14 THR . . . . . . . . . . . . . parsed_6obk 1
21 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.7 -47.7 . . 16 ILE . . . . . . . . . . . . . parsed_6obk 1
22 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.1 -19.1 . . 16 ILE . . . . . . . . . . . . . parsed_6obk 1
23 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -50.0 . . 17 GLU . . . . . . . . . . . . . parsed_6obk 1
24 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.3 -19.3 . . 17 GLU . . . . . . . . . . . . . parsed_6obk 1
25 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.2 -44.2 . . 18 TYR . . . . . . . . . . . . . parsed_6obk 1
26 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.2 -23.2 . . 18 TYR . . . . . . . . . . . . . parsed_6obk 1
27 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.2 -41.2 . . 19 GLU . . . . . . . . . . . . . parsed_6obk 1
28 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.0 -22.0 . . 19 GLU . . . . . . . . . . . . . parsed_6obk 1
29 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.7 -46.7 . . 20 HIS . . . . . . . . . . . . . parsed_6obk 1
30 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.8 -16.8 . . 20 HIS . . . . . . . . . . . . . parsed_6obk 1
31 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.8 -46.8 . . 21 TYR . . . . . . . . . . . . . parsed_6obk 1
32 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.0 -19.0 . . 21 TYR . . . . . . . . . . . . . parsed_6obk 1
33 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.5 -83.0 . . 22 VAL . . . . . . . . . . . . . parsed_6obk 1
34 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -16.9 43.9 . . 22 VAL . . . . . . . . . . . . . parsed_6obk 1
35 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.3 -38.3 . . 23 LYS . . . . . . . . . . . . . parsed_6obk 1
36 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.7 -23.7 . . 23 LYS . . . . . . . . . . . . . parsed_6obk 1
37 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.3 -45.3 . . 24 HIS . . . . . . . . . . . . . parsed_6obk 1
38 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.2 -20.2 . . 24 HIS . . . . . . . . . . . . . parsed_6obk 1
39 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -47.0 . . 25 LEU . . . . . . . . . . . . . parsed_6obk 1
40 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.3 -21.3 . . 25 LEU . . . . . . . . . . . . . parsed_6obk 1
41 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.5 -45.5 . . 26 PHE . . . . . . . . . . . . . parsed_6obk 1
42 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.0 -23.0 . . 26 PHE . . . . . . . . . . . . . parsed_6obk 1
43 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.3 -45.3 . . 27 ASP . . . . . . . . . . . . . parsed_6obk 1
44 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.1 -10.1 . . 27 ASP . . . . . . . . . . . . . parsed_6obk 1
45 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -107.1 -67.1 . . 28 ILE . . . . . . . . . . . . . parsed_6obk 1
46 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -25.1 19.5 . . 28 ILE . . . . . . . . . . . . . parsed_6obk 1
47 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 61.3 107.7 . . 29 GLY . . . . . . . . . . . . . parsed_6obk 1
48 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -10.7 37.3 . . 29 GLY . . . . . . . . . . . . . parsed_6obk 1
49 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.5 -52.5 . . 31 ILE . . . . . . . . . . . . . parsed_6obk 1
50 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.2 148.2 . . 31 ILE . . . . . . . . . . . . . parsed_6obk 1
51 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -171.4 -75.4 . . 32 THR . . . . . . . . . . . . . parsed_6obk 1
52 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 118.9 194.2 . . 32 THR . . . . . . . . . . . . . parsed_6obk 1
53 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.9 -37.9 . . 33 LYS . . . . . . . . . . . . . parsed_6obk 1
54 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.0 -19.0 . . 33 LYS . . . . . . . . . . . . . parsed_6obk 1
55 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.8 -44.8 . . 34 GLU . . . . . . . . . . . . . parsed_6obk 1
56 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.9 -21.9 . . 34 GLU . . . . . . . . . . . . . parsed_6obk 1
57 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.5 -46.5 . . 35 LEU . . . . . . . . . . . . . parsed_6obk 1
58 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.8 -20.8 . . 35 LEU . . . . . . . . . . . . . parsed_6obk 1
59 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.1 -43.1 . . 36 TYR . . . . . . . . . . . . . parsed_6obk 1
60 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.8 -23.8 . . 36 TYR . . . . . . . . . . . . . parsed_6obk 1
61 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.9 -45.9 . . 37 ILE . . . . . . . . . . . . . parsed_6obk 1
62 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.3 -20.3 . . 37 ILE . . . . . . . . . . . . . parsed_6obk 1
63 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.2 -46.2 . . 38 GLU . . . . . . . . . . . . . parsed_6obk 1
64 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.1 -18.1 . . 38 GLU . . . . . . . . . . . . . parsed_6obk 1
65 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.7 -53.7 . . 39 LEU . . . . . . . . . . . . . parsed_6obk 1
66 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.8 -3.6 . . 39 LEU . . . . . . . . . . . . . parsed_6obk 1
stop_
loop_
_TA_constraint_comment_org.ID
_TA_constraint_comment_org.Comment_text
_TA_constraint_comment_org.Comment_begin_line
_TA_constraint_comment_org.Comment_begin_column
_TA_constraint_comment_org.Comment_end_line
_TA_constraint_comment_org.Comment_end_column
_TA_constraint_comment_org.Entry_ID
_TA_constraint_comment_org.Torsion_angle_constraint_list_ID
1 "Restraints file 1: talos_3.aco" 1 1 1 32 parsed_6obk 1
2 "4 E -62.195 -38.161 6.504 4.991 0.350 0.900 25 14 Strong" 3 1 3 72 parsed_6obk 1
3 "5 H -68.798 -40.044 5.224 4.955 0.238 0.894 25 15 Strong" 7 1 7 72 parsed_6obk 1
4 "6 I -64.230 -45.129 5.282 2.542 0.179 0.879 25 15 Strong" 11 1 11 72 parsed_6obk 1
5 "7 L -65.829 -38.642 2.880 5.416 39.195 0.851 25 15 Strong" 15 1 15 72 parsed_6obk 1
6 "8 A -66.130 -39.700 4.511 5.375 57.186 0.849 25 15 Strong" 19 1 19 72 parsed_6obk 1
7 "9 Q -66.775 -36.355 4.415 5.775 118.145 0.858 25 15 Strong" 23 1 23 72 parsed_6obk 1
8 "10 K -65.591 -31.525 3.598 4.681 237.992 0.889 25 15 Strong" 27 1 27 72 parsed_6obk 1
9 "11 E -78.960 -16.135 11.108 10.414 150.216 0.887 25 15 Strong" 31 1 31 72 parsed_6obk 1
10 "13 L -94.176 144.891 21.352 13.857 43.288 0.844 25 15 Strong" 35 1 35 72 parsed_6obk 1
11 "14 T -69.395 152.153 6.826 8.272 0.290 0.816 25 13 Strong" 39 1 39 72 parsed_6obk 1
12 "15 P -53.842 -40.059 3.462 5.303 0.272 0.810 25 12 Strong" 43 1 43 72 parsed_6obk 1
13 "15 PRO PHI -73.8 -33.8" 44 1 44 34 parsed_6obk 1
14 "15 PRO PSI -60.1 -20.1" 45 1 45 34 parsed_6obk 1
15 "16 I -67.662 -39.058 4.432 6.370 0.207 0.823 25 12 Strong" 47 1 47 72 parsed_6obk 1
16 "17 E -69.983 -39.301 4.363 4.107 0.195 0.861 25 14 Strong" 51 1 51 72 parsed_6obk 1
17 "18 Y -64.169 -43.160 4.218 4.523 0.180 0.884 25 15 Strong" 55 1 55 72 parsed_6obk 1
18 "19 E -61.218 -42.045 4.134 4.593 0.245 0.897 25 15 Strong" 59 1 59 72 parsed_6obk 1
19 "20 H -66.702 -36.776 4.733 4.835 0.263 0.904 25 14 Strong" 63 1 63 72 parsed_6obk 1
20 "21 Y -66.849 -38.964 6.510 8.452 0.499 0.905 25 14 Strong" 67 1 67 72 parsed_6obk 1
21 "22 V -106.748 13.467 11.869 15.197 0.485 0.915 25 14 Strong" 71 1 71 72 parsed_6obk 1
22 "23 K -58.329 -43.722 6.439 6.704 0.385 0.910 25 15 Strong" 75 1 75 72 parsed_6obk 1
23 "24 H -65.347 -40.204 4.739 8.061 0.359 0.907 25 15 Strong" 79 1 79 72 parsed_6obk 1
24 "25 L -66.987 -41.304 5.693 6.668 0.365 0.904 25 15 Strong" 83 1 83 72 parsed_6obk 1
25 "26 F -65.528 -42.963 4.246 5.060 0.228 0.903 25 15 Strong" 87 1 87 72 parsed_6obk 1
26 "27 D -65.291 -30.101 4.580 4.777 0.274 0.891 25 15 Strong" 91 1 91 72 parsed_6obk 1
27 "28 I -87.088 -2.806 7.391 11.170 0.294 0.813 25 14 Strong" 95 1 95 72 parsed_6obk 1
28 "29 G 84.501 13.277 11.589 11.997 0.323 0.670 25 14 Strong" 99 1 99 72 parsed_6obk 1
29 "31 I -81.520 128.198 14.498 7.765 0.415 0.640 25 10 Strong" 103 1 103 72 parsed_6obk 1
30 "32 T -123.398 156.559 23.982 18.814 0.361 0.861 25 10 Strong" 107 1 107 72 parsed_6obk 1
31 "33 K -57.904 -38.977 5.087 6.433 0.264 0.870 25 15 Strong" 111 1 111 72 parsed_6obk 1
32 "34 E -64.763 -41.916 3.653 4.086 0.239 0.895 25 14 Strong" 115 1 115 72 parsed_6obk 1
33 "35 L -66.526 -40.764 3.795 4.039 0.218 0.889 25 13 Strong" 119 1 119 72 parsed_6obk 1
34 "36 Y -63.098 -43.772 3.805 4.579 0.167 0.897 25 12 Strong" 123 1 123 72 parsed_6obk 1
35 "37 I -65.920 -40.270 4.878 4.906 0.199 0.897 25 13 Strong" 127 1 127 72 parsed_6obk 1
36 "38 E -66.224 -38.143 3.866 7.207 0.241 0.874 25 14 Strong" 131 1 131 72 parsed_6obk 1
37 "39 L -73.675 -26.683 7.970 11.551 0.249 0.756 25 15 Strong" 135 1 135 72 parsed_6obk 1
stop_
save_
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