NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
30936 |
1dl0   |
4685 | cing | 2-parsed | STAR | dihedral angle | 41 |
data_1dl0_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1dl0
_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_1dl0 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1dl0
_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 1dl0 "Master copy" parsed_1dl0
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1dl0
_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 1dl0.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1dl0 1
1 1dl0.mr . . XPLOR/CNS 2 distance "general distance" simple 431 parsed_1dl0 1
1 1dl0.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 41 parsed_1dl0 1
1 1dl0.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1dl0 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1dl0
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 3
_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 -20.0 . . 1 . c . 2 . n . 2 . ca . 2 . c parsed_1dl0 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 2 . c . 3 . n . 3 . ca . 3 . c parsed_1dl0 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 3 . c . 4 . n . 4 . ca . 4 . c parsed_1dl0 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 9 . c . 10 . n . 10 . ca . 10 . c parsed_1dl0 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 23 . c . 24 . n . 24 . ca . 24 . c parsed_1dl0 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 34 . c . 35 . n . 35 . ca . 35 . c parsed_1dl0 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 35 . c . 36 . n . 36 . ca . 36 . c parsed_1dl0 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 21 . c . 22 . n . 22 . ca . 22 . c parsed_1dl0 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . . 7 . c . 8 . n . 8 . ca . 8 . c parsed_1dl0 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . . 13 . c . 14 . n . 14 . ca . 14 . c parsed_1dl0 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . . 19 . c . 20 . n . 20 . ca . 20 . c parsed_1dl0 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . . 22 . c . 23 . n . 23 . ca . 23 . c parsed_1dl0 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . . 24 . c . 25 . n . 25 . ca . 25 . c parsed_1dl0 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . . 28 . c . 29 . n . 29 . ca . 29 . c parsed_1dl0 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . . 29 . c . 30 . n . 30 . ca . 30 . c parsed_1dl0 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . . 30 . c . 31 . n . 31 . ca . 31 . c parsed_1dl0 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 32 . c . 33 . n . 33 . ca . 33 . c parsed_1dl0 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 10 . c . 11 . n . 11 . ca . 11 . c parsed_1dl0 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 20 . c . 21 . n . 21 . ca . 21 . c parsed_1dl0 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -50.0 . . 15 . c . 16 . n . 16 . ca . 16 . c parsed_1dl0 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -50.0 . . 25 . c . 26 . n . 26 . ca . 26 . c parsed_1dl0 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -50.0 . . 33 . c . 34 . n . 34 . ca . 34 . c parsed_1dl0 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.0 -20.0 . . 5 . c . 6 . n . 6 . ca . 6 . c parsed_1dl0 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.0 -20.0 . . 11 . c . 12 . n . 12 . ca . 12 . c parsed_1dl0 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.0 -20.0 . . 16 . c . 17 . n . 17 . ca . 17 . c parsed_1dl0 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.0 -20.0 . . 12 . c . 13 . n . 13 . ca . 13 . c parsed_1dl0 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10.0 90.0 . . 6 . c . 7 . n . 7 . ca . 7 . c parsed_1dl0 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 3 . n . 3 . ca . 3 . cb . 3 . sg parsed_1dl0 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 7 . n . 7 . ca . 7 . cb . 7 . cg parsed_1dl0 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 10 . n . 10 . ca . 10 . cb . 10 . sg parsed_1dl0 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 13 . n . 13 . ca . 13 . cb . 13 . sg parsed_1dl0 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 14 . n . 14 . ca . 14 . cb . 14 . sg parsed_1dl0 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 16 . n . 16 . ca . 16 . cb . 16 . sg parsed_1dl0 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 17 . n . 17 . ca . 17 . cb . 17 . sg parsed_1dl0 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 22 . n . 22 . ca . 22 . cb . 22 . sg parsed_1dl0 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 27 . n . 27 . ca . 27 . cb . 27 . cg parsed_1dl0 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 30 . n . 30 . ca . 30 . cb . 30 . og parsed_1dl0 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 31 . n . 31 . ca . 31 . cb . 31 . cg parsed_1dl0 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 32 . n . 32 . ca . 32 . cb . 32 . sg parsed_1dl0 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 35 . n . 35 . ca . 35 . cb . 35 . cg parsed_1dl0 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 36 . n . 36 . ca . 36 . cb . 36 . cg parsed_1dl0 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
;
! Dihedral angle restraints
!phi restraints: -100 +/- 80 (aN weaker than a(i-1)N)
! 2 ILE
;
1 1 4 9 parsed_1dl0 1
2 "! 3 CYSS" 7 1 7 10 parsed_1dl0 1
3 "! 4 THR" 10 1 10 9 parsed_1dl0 1
4 "! 10 CYSS" 13 1 13 11 parsed_1dl0 1
5 "! 24 ALA" 16 1 16 10 parsed_1dl0 1
6 "! 35 ASP-" 19 1 19 11 parsed_1dl0 1
7 "! 36 GLU-" 22 1 22 11 parsed_1dl0 1
8 "! 22 CYSS" 25 1 25 11 parsed_1dl0 1
9
;
!Phi restraints: J>9 Hz
! 8 ARG+
;
29 1 30 10 parsed_1dl0 1
10 "! 14 CYSS" 33 1 33 11 parsed_1dl0 1
11 "! 20 THR" 36 1 36 10 parsed_1dl0 1
12 "! 23 LYS+" 39 1 39 11 parsed_1dl0 1
13 "! 25 GLU-" 42 1 42 11 parsed_1dl0 1
14 "! 29 VAL" 45 1 45 10 parsed_1dl0 1
15 "! 30 SER" 48 1 48 10 parsed_1dl0 1
16 "! 31 TYR" 51 1 51 10 parsed_1dl0 1
17 "! 33 ARG+" 54 1 54 11 parsed_1dl0 1
18
;
! phi restraints: 8
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