NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
51785 |
2kad   |
16020 | cing | 2-parsed | STAR | dihedral angle | 28 |
data_2kad_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2kad
_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_2kad 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2kad
_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 2kad "Master copy" parsed_2kad
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2kad
_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 2kad.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2kad 1
1 2kad.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_2kad 1
1 2kad.mr . . XPLOR/CNS 3 distance NOE simple 2 parsed_2kad 1
1 2kad.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_2kad 1
1 2kad.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 28 parsed_2kad 1
stop_
save_
save_CNS/XPLOR_dihedral_5
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2kad
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 5
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.3 -51.3 . . 25 . c . 26 . n . 26 . ca . 26 . c parsed_2kad 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -54.8 . . 26 . c . 27 . n . 27 . ca . 27 . c parsed_2kad 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.8 -58.8 . . 27 . c . 28 . n . 28 . ca . 28 . c parsed_2kad 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.2 -54.2 . . 28 . c . 29 . n . 29 . ca . 29 . c parsed_2kad 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.2 -59.4 . . 29 . c . 30 . n . 30 . ca . 30 . c parsed_2kad 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.1 -58.9 . . 30 . c . 31 . n . 31 . ca . 31 . c parsed_2kad 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.3 -53.3 . . 31 . c . 32 . n . 32 . ca . 32 . c parsed_2kad 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.3 -56.3 . . 32 . c . 33 . n . 33 . ca . 33 . c parsed_2kad 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.3 -52.3 . . 33 . c . 34 . n . 34 . ca . 34 . c parsed_2kad 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.8 -57.8 . . 34 . c . 35 . n . 35 . ca . 35 . c parsed_2kad 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.4 -58.8 . . 35 . c . 36 . n . 36 . ca . 36 . c parsed_2kad 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.0 -56.8 . . 36 . c . 37 . n . 37 . ca . 37 . c parsed_2kad 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.6 -55.6 . . 37 . c . 38 . n . 38 . ca . 38 . c parsed_2kad 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.8 -25.8 . . 26 . n . 26 . ca . 26 . c . 27 . n parsed_2kad 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.2 -29.0 . . 27 . n . 27 . ca . 27 . c . 28 . n parsed_2kad 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.3 -36.3 . . 28 . n . 28 . ca . 28 . c . 29 . n parsed_2kad 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -44.8 -31.8 . . 29 . n . 29 . ca . 29 . c . 30 . n parsed_2kad 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.4 -26.6 . . 30 . n . 30 . ca . 30 . c . 31 . n parsed_2kad 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -46.9 -33.7 . . 31 . n . 31 . ca . 31 . c . 32 . n parsed_2kad 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.4 -34.4 . . 32 . n . 32 . ca . 32 . c . 33 . n parsed_2kad 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.3 -39.3 . . 33 . n . 33 . ca . 33 . c . 34 . n parsed_2kad 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.1 -33.1 . . 34 . n . 34 . ca . 34 . c . 35 . n parsed_2kad 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.0 -34.0 . . 35 . n . 35 . ca . 35 . c . 36 . n parsed_2kad 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -44.5 -35.9 . . 36 . n . 36 . ca . 36 . c . 37 . n parsed_2kad 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -46.0 -34.8 . . 37 . n . 37 . ca . 37 . c . 38 . n parsed_2kad 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.0 -25.0 . . 38 . n . 38 . ca . 38 . c . 39 . n parsed_2kad 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.0 -155.0 . . 27 . n . 27 . ca . 27 . cb . 27 . cg1 parsed_2kad 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.0 -162.0 . . 28 . n . 28 . ca . 28 . cb . 28 . cg1 parsed_2kad 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
;
!
!phi restraints
!26
;
1 1 3 8 parsed_2kad 1
2 !27 6 3 6 8 parsed_2kad 1
3 !28 9 3 9 7 parsed_2kad 1
4 !29 12 3 12 7 parsed_2kad 1
5 !30 15 3 15 7 parsed_2kad 1
6 !31 18 3 18 7 parsed_2kad 1
7 !32 21 3 21 8 parsed_2kad 1
8 !33 24 3 24 7 parsed_2kad 1
9 !34 27 3 27 8 parsed_2kad 1
10 !35 30 3 30 7 parsed_2kad 1
11 !36 33 3 33 7 parsed_2kad 1
12 !37 36 3 36 7 parsed_2kad 1
13 !38 39 3 39 7 parsed_2kad 1
14
;
!psi restraints
!26
;
44 1 45 5 parsed_2kad 1
15 !27 48 1 48 5 parsed_2kad 1
16 !28 51 1 51 5 parsed_2kad 1
17 !29 54 1 54 5 parsed_2kad 1
18 !30 57 1 57 5 parsed_2kad 1
19 !31 60 1 60 5 parsed_2kad 1
20 !32 63 1 63 5 parsed_2kad 1
21 !33 66 1 66 5 parsed_2kad 1
22 !34 69 1 69 5 parsed_2kad 1
23 !35 72 1 72 5 parsed_2kad 1
24 !36 75 1 75 5 parsed_2kad 1
25 !37 78 1 78 5 parsed_2kad 1
26 !38 81 1 81 5 parsed_2kad 1
27
;
!chi 1
!27
;
87 1 88 7 parsed_2kad 1
28 !28 91 3 91 7 parsed_2kad 1
stop_
save_
Contact the webmaster for help, if required. Wednesday, April 24, 2024 2:28:51 AM GMT (wattos1)