NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | item_count |
|
|
34155 |
1jgk   |
4391 | cing | recoord | 2-parsed | STAR | dihedral angle | 39 |
data_1jgk_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1jgk
_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_1jgk 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1jgk
_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 1jgk "Master copy" parsed_1jgk
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1jgk
_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 1jgk.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1jgk 1
1 1jgk.mr . . XPLOR/CNS 2 distance NOE simple 12 parsed_1jgk 1
1 1jgk.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 32 parsed_1jgk 1
1 1jgk.mr . . XPLOR/CNS 4 distance NOE simple 26 parsed_1jgk 1
1 1jgk.mr . . XPLOR/CNS 5 distance "disulfide bond" simple 5 parsed_1jgk 1
1 1jgk.mr . . XPLOR/CNS 6 distance "hydrogen bond" simple 17 parsed_1jgk 1
1 1jgk.mr . . XPLOR/CNS 7 distance NOE simple 537 parsed_1jgk 1
1 1jgk.mr . . XPLOR/CNS 8 "dihedral angle" "Not applicable" "Not applicable" 39 parsed_1jgk 1
1 1jgk.mr . . "MR format" 9 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1jgk 1
stop_
save_
save_CNS/XPLOR_dihedral_8
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1jgk
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 8
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 50.0 130.0 . . 8 . c . 9 . n . 9 . ca . 9 . c parsed_1jgk 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 180.0 . . 8 . n . 8 . ca . 8 . c . 9 . n parsed_1jgk 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 40.0 . . 9 . n . 9 . ca . 9 . c . 10 . n parsed_1jgk 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 12 . c . 13 . n . 13 . ca . 13 . c parsed_1jgk 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 40.0 . . 14 . n . 14 . ca . 14 . c . 15 . n parsed_1jgk 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.0 -50.0 . . 34 . c . 35 . n . 35 . ca . 35 . c parsed_1jgk 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 40.0 . . 35 . n . 35 . ca . 35 . c . 36 . n parsed_1jgk 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 10.0 . . 64 . n . 64 . ca . 64 . c . 65 . n parsed_1jgk 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 40.0 . . 65 . n . 65 . ca . 65 . c . 66 . n parsed_1jgk 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 1 . c . 2 . n . 2 . ca . 2 . c parsed_1jgk 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 2 . c . 3 . n . 3 . ca . 3 . c parsed_1jgk 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 3 . c . 4 . n . 4 . ca . 4 . c parsed_1jgk 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 4 . c . 5 . n . 5 . ca . 5 . c parsed_1jgk 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 14 . c . 15 . n . 15 . ca . 15 . c parsed_1jgk 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 15 . c . 16 . n . 16 . ca . 16 . c parsed_1jgk 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 16 . c . 17 . n . 17 . ca . 17 . c parsed_1jgk 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 17 . c . 18 . n . 18 . ca . 18 . c parsed_1jgk 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 23 . c . 24 . n . 24 . ca . 24 . c parsed_1jgk 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 24 . c . 25 . n . 25 . ca . 25 . c parsed_1jgk 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 25 . c . 26 . n . 26 . ca . 26 . c parsed_1jgk 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.0 -75.0 . . 26 . c . 27 . n . 27 . ca . 27 . c parsed_1jgk 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 27 . c . 28 . n . 28 . ca . 28 . c parsed_1jgk 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 28 . c . 29 . n . 29 . ca . 29 . c parsed_1jgk 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 29 . c . 30 . n . 30 . ca . 30 . c parsed_1jgk 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 30 . c . 31 . n . 31 . ca . 31 . c parsed_1jgk 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 31 . c . 32 . n . 32 . ca . 32 . c parsed_1jgk 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 36 . c . 37 . n . 37 . ca . 37 . c parsed_1jgk 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 37 . c . 38 . n . 38 . ca . 38 . c parsed_1jgk 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 38 . c . 39 . n . 39 . ca . 39 . c parsed_1jgk 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 39 . c . 40 . n . 40 . ca . 40 . c parsed_1jgk 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 42 . c . 43 . n . 43 . ca . 43 . c parsed_1jgk 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 43 . c . 44 . n . 44 . ca . 44 . c parsed_1jgk 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 54 . c . 55 . n . 55 . ca . 55 . c parsed_1jgk 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 55 . c . 56 . n . 56 . ca . 56 . c parsed_1jgk 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 56 . c . 57 . n . 57 . ca . 57 . c parsed_1jgk 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 57 . c . 58 . n . 58 . ca . 58 . c parsed_1jgk 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 58 . c . 59 . n . 59 . ca . 59 . c parsed_1jgk 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 59 . c . 60 . n . 60 . ca . 60 . c parsed_1jgk 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 60 . c . 61 . n . 61 . ca . 61 . c parsed_1jgk 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 dihedral
! 9
;
1 1 3 7 parsed_1jgk 1
2 !8 6 3 6 6 parsed_1jgk 1
3 "! 9" 9 3 9 7 parsed_1jgk 1
4 "! 14" 15 3 15 8 parsed_1jgk 1
5 "! 35" 18 1 19 8 parsed_1jgk 1
6 "! 35" 22 3 22 8 parsed_1jgk 1
7 "! 64" 25 1 26 8 parsed_1jgk 1
8 "! 65" 29 3 29 8 parsed_1jgk 1
9 "! 2" 32 1 33 10 parsed_1jgk 1
10 "! 3" 36 3 36 11 parsed_1jgk 1
11 "! 4" 39 3 39 11 parsed_1jgk 1
12 "! 5" 42 3 42 11 parsed_1jgk 1
13 "! 15" 45 3 45 11 parsed_1jgk 1
14 "! 16" 48 3 48 12 parsed_1jgk 1
15 "! 17" 51 3 51 12 parsed_1jgk 1
16 "! 18" 54 3 54 11 parsed_1jgk 1
17 "! 24" 57 3 57 12 parsed_1jgk 1
18 "! 25" 60 3 60 12 parsed_1jgk 1
19 "! 26" 63 3 63 12 parsed_1jgk 1
20 "! 27" 66 3 66 12 parsed_1jgk 1
21 "! 28" 69 3 69 12 parsed_1jgk 1
22 "! 29" 72 3 72 11 parsed_1jgk 1
23 "! 30" 75 3 75 11 parsed_1jgk 1
24 "! 31" 78 3 78 12 parsed_1jgk 1
25 "! 32" 81 3 81 12 parsed_1jgk 1
26 "! 37" 84 3 84 11 parsed_1jgk 1
27 "! 38" 87 3 87 11 parsed_1jgk 1
28 "! 39" 90 3 90 12 parsed_1jgk 1
29 "! 40" 93 3 93 12 parsed_1jgk 1
30 "! 43" 96 3 96 12 parsed_1jgk 1
31 "! 44" 99 3 99 12 parsed_1jgk 1
32 "! 55" 102 3 102 12 parsed_1jgk 1
33 "! 56" 105 3 105 12 parsed_1jgk 1
34 "! 57" 108 3 108 11 parsed_1jgk 1
35 "! 58" 111 3 111 11 parsed_1jgk 1
36 "! 59" 114 3 114 11 parsed_1jgk 1
37 "! 60" 117 3 117 11 parsed_1jgk 1
38 "! 61" 120 3 120 11 parsed_1jgk 1
stop_
save_
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