NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
37818 |
1q7j   |
5948 | cing | 2-parsed | STAR | dihedral angle | 41 |
data_1q7j_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1q7j
_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_1q7j 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1q7j
_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 1q7j "Master copy" parsed_1q7j
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1q7j
_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 1q7j.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1q7j 1
1 1q7j.mr . . XPLOR/CNS 2 distance NOE simple 774 parsed_1q7j 1
1 1q7j.mr . . XPLOR/CNS 3 distance "disulfide bond" simple 6 parsed_1q7j 1
1 1q7j.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 9 parsed_1q7j 1
1 1q7j.mr . . XPLOR/CNS 5 distance NOE simple 152 parsed_1q7j 1
1 1q7j.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_1q7j 1
1 1q7j.mr . . XPLOR/CNS 7 "dihedral angle" "Not applicable" "Not applicable" 41 parsed_1q7j 1
1 1q7j.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1q7j 1
stop_
save_
save_CNS/XPLOR_dihedral_7
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1q7j
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 7
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 2 . c . 3 . n . 3 . ca . 3 . c parsed_1q7j 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 3 . c . 4 . n . 4 . ca . 4 . c parsed_1q7j 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 9 . c . 10 . n . 10 . ca . 10 . c parsed_1q7j 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 10 . c . 11 . n . 11 . ca . 11 . c parsed_1q7j 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 15 . c . 16 . n . 16 . ca . 16 . c parsed_1q7j 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 16 . c . 17 . n . 17 . ca . 17 . c parsed_1q7j 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 17 . c . 18 . n . 18 . ca . 18 . c parsed_1q7j 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 19 . c . 20 . n . 20 . ca . 20 . c parsed_1q7j 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 23 . c . 24 . n . 24 . ca . 24 . c parsed_1q7j 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 24 . c . 25 . n . 25 . ca . 25 . c parsed_1q7j 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 25 . c . 26 . n . 26 . ca . 26 . c parsed_1q7j 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 26 . c . 27 . n . 27 . ca . 27 . c parsed_1q7j 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 28 . c . 29 . n . 29 . ca . 29 . c parsed_1q7j 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 29 . c . 30 . n . 30 . ca . 30 . c parsed_1q7j 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 30 . c . 31 . n . 31 . ca . 31 . c parsed_1q7j 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 31 . c . 32 . n . 32 . ca . 32 . c parsed_1q7j 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 32 . c . 33 . n . 33 . ca . 33 . c parsed_1q7j 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 33 . c . 34 . n . 34 . ca . 34 . c parsed_1q7j 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 34 . c . 35 . n . 35 . ca . 35 . c parsed_1q7j 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 36 . c . 37 . n . 37 . ca . 37 . c parsed_1q7j 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 39 . c . 40 . n . 40 . ca . 40 . c parsed_1q7j 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 40 . c . 41 . n . 41 . ca . 41 . c parsed_1q7j 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 42 . c . 43 . n . 43 . ca . 43 . c parsed_1q7j 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 43 . c . 44 . n . 44 . ca . 44 . c parsed_1q7j 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 44 . c . 45 . n . 45 . ca . 45 . c parsed_1q7j 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 45 . c . 46 . n . 46 . ca . 46 . c parsed_1q7j 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 46 . c . 47 . n . 47 . ca . 47 . c parsed_1q7j 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 48 . c . 49 . n . 49 . ca . 49 . c parsed_1q7j 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 49 . c . 50 . n . 50 . ca . 50 . c parsed_1q7j 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 53 . c . 54 . n . 54 . ca . 54 . c parsed_1q7j 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 54 . c . 55 . n . 55 . ca . 55 . c parsed_1q7j 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 57 . c . 58 . n . 58 . ca . 58 . c parsed_1q7j 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 58 . c . 59 . n . 59 . ca . 59 . c parsed_1q7j 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 59 . c . 60 . n . 60 . ca . 60 . c parsed_1q7j 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 60 . c . 61 . n . 61 . ca . 61 . c parsed_1q7j 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 61 . c . 62 . n . 62 . ca . 62 . c parsed_1q7j 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 62 . c . 63 . n . 63 . ca . 63 . c parsed_1q7j 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 63 . c . 64 . n . 64 . ca . 64 . c parsed_1q7j 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 65 . c . 66 . n . 66 . ca . 66 . c parsed_1q7j 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 66 . c . 67 . n . 67 . ca . 67 . c parsed_1q7j 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 67 . c . 68 . n . 68 . ca . 68 . c parsed_1q7j 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
;
assign (resid 4 and name c) (resid 5 and name n) (resid 5 and name ca) (resid 5 and name c) 1.0 -120.0 60.0 2
assign (resid 5 and name c) (resid 6 and name n) (resid 6 and name ca) (resid 6 and name c) 1.0 -120.0 40.0 2
assign (resid 8 and name c) (resid 9 and name n) (resid 9 and name ca) (resid 9 and name c) 1.0 -120.0 40.0 2
;
3 1 5 111 parsed_1q7j 1
2
;
assign (resid 11 and name c) (resid 12 and name n) (resid 12 and name ca) (resid 12 and name c) 1.0 -120.0 60.0 2
assign (resid 12 and name c) (resid 13 and name n) (resid 13 and name ca) (resid 13 and name c) 1.0 -120.0 60.0 2
assign (resid 13 and name c) (resid 14 and name n) (resid 14 and name ca) (resid 14 and name c) 1.0 -120.0 60.0 2
assign (resid 14 and name c) (resid 15 and name n) (resid 15 and name ca) (resid 15 and name c) 1.0 -120.0 60.0 2
;
8 1 11 115 parsed_1q7j 1
3 "assign (resid 18 and name c) (resid 19 and name n) (resid 19 and name ca) (resid 19 and name c) 1.0 -120.0 60.0 2" 15 1 15 115 parsed_1q7j 1
4 "assign (resid 20 and name c) (resid 21 and name n) (resid 21 and name ca) (resid 21 and name c) 1.0 -60.0 40.0 2" 17 1 17 114 parsed_1q7j 1
5 "assign (resid 27 and name c) (resid 28 and name n) (resid 28 and name ca) (resid 28 and name c) 1.0 -120.0 40.0 2" 22 1 22 115 parsed_1q7j 1
6 "assign (resid 35 and name c) (resid 36 and name n) (resid 36 and name ca) (resid 36 and name c) 1.0 -120.0 60.0 2" 30 1 30 115 parsed_1q7j 1
7
;
assign (resid 37 and name c) (resid 38 and name n) (resid 38 and name ca) (resid 38 and name c) 1.0 -120.0 40.0 2
assign (resid 38 and name c) (resid 39 and name n) (resid 39 and name ca) (resid 39 and name c) 1.0 -120.0 60.0 2
;
32 1 33 115 parsed_1q7j 1
8 "assign (resid 41 and name c) (resid 42 and name n) (resid 42 and name ca) (resid 42 and name c) 1.0 -120.0 40.0 2" 36 1 36 115 parsed_1q7j 1
9 "assign (resid 51 and name c) (resid 52 and name n) (resid 52 and name ca) (resid 52 and name c) 1.0 -120.0 60.0 2" 44 1 44 115 parsed_1q7j 1
10 "assign (resid 56 and name c) (resid 57 and name n) (resid 57 and name ca) (resid 57 and name c) 1.0 -120.0 60.0 2" 47 1 47 115 parsed_1q7j 1
stop_
save_
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