NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
465902 |
2rqh   |
cing | 2-parsed | STAR | dihedral angle | 59 |
data_2rqh_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2rqh
_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_2rqh 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2rqh
_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 2rqh "Master copy" parsed_2rqh
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2rqh
_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 2rqh.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2rqh 1
1 2rqh.mr . . DYANA/DIANA 2 distance NOE simple 1368 parsed_2rqh 1
1 2rqh.mr . . DYANA/DIANA 3 distance "hydrogen bond" simple 62 parsed_2rqh 1
1 2rqh.mr . . DYANA/DIANA 4 "dihedral angle" "Not applicable" "Not applicable" 59 parsed_2rqh 1
1 2rqh.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2rqh 1
stop_
save_
save_DYANA/DIANA_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2rqh
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 4
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -35.0 . . 561 MET . . . . . . . . . . . . . parsed_2rqh 1
2 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 -20.0 . . 561 MET . . . . . . . . . . . . . parsed_2rqh 1
3 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -35.0 . . 562 LEU . . . . . . . . . . . . . parsed_2rqh 1
4 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 -20.0 . . 562 LEU . . . . . . . . . . . . . parsed_2rqh 1
5 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -35.0 . . 563 GLY . . . . . . . . . . . . . parsed_2rqh 1
6 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 -20.0 . . 563 GLY . . . . . . . . . . . . . parsed_2rqh 1
7 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -35.0 . . 564 GLU . . . . . . . . . . . . . parsed_2rqh 1
8 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 -20.0 . . 564 GLU . . . . . . . . . . . . . parsed_2rqh 1
9 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -35.0 . . 565 ARG . . . . . . . . . . . . . parsed_2rqh 1
10 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 -20.0 . . 565 ARG . . . . . . . . . . . . . parsed_2rqh 1
11 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -35.0 . . 566 LEU . . . . . . . . . . . . . parsed_2rqh 1
12 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 -20.0 . . 566 LEU . . . . . . . . . . . . . parsed_2rqh 1
13 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -35.0 . . 567 PHE . . . . . . . . . . . . . parsed_2rqh 1
14 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 -20.0 . . 567 PHE . . . . . . . . . . . . . parsed_2rqh 1
15 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 -20.0 . . 568 PRO . . . . . . . . . . . . . parsed_2rqh 1
16 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -35.0 . . 569 LEU . . . . . . . . . . . . . parsed_2rqh 1
17 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 -20.0 . . 569 LEU . . . . . . . . . . . . . parsed_2rqh 1
18 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -35.0 . . 570 ILE . . . . . . . . . . . . . parsed_2rqh 1
19 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 -20.0 . . 570 ILE . . . . . . . . . . . . . parsed_2rqh 1
20 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -35.0 . . 571 GLN . . . . . . . . . . . . . parsed_2rqh 1
21 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 -20.0 . . 571 GLN . . . . . . . . . . . . . parsed_2rqh 1
22 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -35.0 . . 580 LYS . . . . . . . . . . . . . parsed_2rqh 1
23 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 -20.0 . . 580 LYS . . . . . . . . . . . . . parsed_2rqh 1
24 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -35.0 . . 581 ILE . . . . . . . . . . . . . parsed_2rqh 1
25 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 -20.0 . . 581 ILE . . . . . . . . . . . . . parsed_2rqh 1
26 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -35.0 . . 582 THR . . . . . . . . . . . . . parsed_2rqh 1
27 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 -20.0 . . 582 THR . . . . . . . . . . . . . parsed_2rqh 1
28 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -35.0 . . 583 GLY . . . . . . . . . . . . . parsed_2rqh 1
29 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 -20.0 . . 583 GLY . . . . . . . . . . . . . parsed_2rqh 1
30 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -35.0 . . 584 MET . . . . . . . . . . . . . parsed_2rqh 1
31 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 -20.0 . . 584 MET . . . . . . . . . . . . . parsed_2rqh 1
32 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -35.0 . . 585 LEU . . . . . . . . . . . . . parsed_2rqh 1
33 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 -20.0 . . 585 LEU . . . . . . . . . . . . . parsed_2rqh 1
34 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -35.0 . . 586 LEU . . . . . . . . . . . . . parsed_2rqh 1
35 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 -20.0 . . 586 LEU . . . . . . . . . . . . . parsed_2rqh 1
36 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -35.0 . . 587 GLU . . . . . . . . . . . . . parsed_2rqh 1
37 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 -20.0 . . 587 GLU . . . . . . . . . . . . . parsed_2rqh 1
38 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -35.0 . . 588 ILE . . . . . . . . . . . . . parsed_2rqh 1
39 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 -20.0 . . 588 ILE . . . . . . . . . . . . . parsed_2rqh 1
40 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -35.0 . . 605 SER . . . . . . . . . . . . . parsed_2rqh 1
41 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 -20.0 . . 605 SER . . . . . . . . . . . . . parsed_2rqh 1
42 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -35.0 . . 606 LYS . . . . . . . . . . . . . parsed_2rqh 1
43 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 -20.0 . . 606 LYS . . . . . . . . . . . . . parsed_2rqh 1
44 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -35.0 . . 607 VAL . . . . . . . . . . . . . parsed_2rqh 1
45 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 -20.0 . . 607 VAL . . . . . . . . . . . . . parsed_2rqh 1
46 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -35.0 . . 608 ASP . . . . . . . . . . . . . parsed_2rqh 1
47 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 -20.0 . . 608 ASP . . . . . . . . . . . . . parsed_2rqh 1
48 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -35.0 . . 609 GLU . . . . . . . . . . . . . parsed_2rqh 1
49 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 -20.0 . . 609 GLU . . . . . . . . . . . . . parsed_2rqh 1
50 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -35.0 . . 610 ALA . . . . . . . . . . . . . parsed_2rqh 1
51 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 -20.0 . . 610 ALA . . . . . . . . . . . . . parsed_2rqh 1
52 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -35.0 . . 611 VAL . . . . . . . . . . . . . parsed_2rqh 1
53 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 -20.0 . . 611 VAL . . . . . . . . . . . . . parsed_2rqh 1
54 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -35.0 . . 612 ALA . . . . . . . . . . . . . parsed_2rqh 1
55 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 -20.0 . . 612 ALA . . . . . . . . . . . . . parsed_2rqh 1
56 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -35.0 . . 613 VAL . . . . . . . . . . . . . parsed_2rqh 1
57 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 -20.0 . . 613 VAL . . . . . . . . . . . . . parsed_2rqh 1
58 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -35.0 . . 614 LEU . . . . . . . . . . . . . parsed_2rqh 1
59 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 -20.0 . . 614 LEU . . . . . . . . . . . . . parsed_2rqh 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 "602 SER PHI -75.0 -35.0" 42 1 42 33 parsed_2rqh 1
2 "602 SER PSI -60.0 -20.0" 43 1 43 33 parsed_2rqh 1
3 "603 LEU PHI -75.0 -35.0" 44 1 44 33 parsed_2rqh 1
4 "603 LEU PSI -60.0 -20.0" 45 1 45 33 parsed_2rqh 1
5 "604 ARG PHI -75.0 -35.0" 46 1 46 33 parsed_2rqh 1
6 "604 ARG PSI -60.0 -20.0" 47 1 47 33 parsed_2rqh 1
7 "615 GLN PHI -75.0 -35.0" 68 1 68 33 parsed_2rqh 1
8 "615 GLN PSI -60.0 -20.0" 69 1 69 33 parsed_2rqh 1
9 "616 ALA PHI -75.0 -35.0" 70 1 70 33 parsed_2rqh 1
10 "616 ALA PSI -60.0 -20.0" 71 1 71 33 parsed_2rqh 1
11 "617 HIS PHI -75.0 -35.0" 72 1 72 33 parsed_2rqh 1
12 "617 HIS PSI -60.0 -20.0" 73 1 73 33 parsed_2rqh 1
13 "618 GLN PHI -75.0 -35.0" 74 1 74 33 parsed_2rqh 1
14 "618 GLN PSI -60.0 -20.0" 75 1 75 33 parsed_2rqh 1
15 "619 ALA PHI -75.0 -35.0" 76 1 76 33 parsed_2rqh 1
16 "619 ALA PSI -60.0 -20.0" 77 1 77 33 parsed_2rqh 1
17 "620 LYS PHI -75.0 -35.0" 78 1 78 33 parsed_2rqh 1
18 "620 LYS PSI -60.0 -20.0" 79 1 79 33 parsed_2rqh 1
19 "621 GLU PHI -75.0 -35.0" 80 1 80 33 parsed_2rqh 1
20 "621 GLU PSI -60.0 -20.0" 81 1 81 33 parsed_2rqh 1
21 "622 ALA PHI -75.0 -35.0" 82 1 82 33 parsed_2rqh 1
22 "622 ALA PSI -60.0 -20.0" 83 1 83 33 parsed_2rqh 1
stop_
save_
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