Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
499290 | 2l4a RC | 17234 | cing | 2-parsed | STAR | dihedral angle | 57 |
data_2l4a_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2l4a
_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_2l4a 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2l4a
_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 2l4a "Master copy" parsed_2l4a
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2l4a
_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 2l4a.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2l4a 1
1 2l4a.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 57 parsed_2l4a 1
1 2l4a.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 0 parsed_2l4a 1
1 2l4a.mr . . XPLOR/CNS 4 distance NOE simple 0 parsed_2l4a 1
1 2l4a.mr . . XPLOR/CNS 5 distance NOE simple 0 parsed_2l4a 1
1 2l4a.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2l4a 1
stop_
save_
save_CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2l4a
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 2
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -27.0 . . 13 . c . 14 . n . 14 . ca . 14 . c parsed_2l4a 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -27.0 . . 14 . c . 15 . n . 15 . ca . 15 . c parsed_2l4a 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -27.0 . . 15 . c . 16 . n . 16 . ca . 16 . c parsed_2l4a 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -27.0 . . 16 . c . 17 . n . 17 . ca . 17 . c parsed_2l4a 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -27.0 . . 17 . c . 18 . n . 18 . ca . 18 . c parsed_2l4a 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -27.0 . . 18 . c . 19 . n . 19 . ca . 19 . c parsed_2l4a 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -27.0 . . 19 . c . 20 . n . 20 . ca . 20 . c parsed_2l4a 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -27.0 . . 20 . c . 21 . n . 21 . ca . 21 . c parsed_2l4a 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -27.0 . . 21 . c . 22 . n . 22 . ca . 22 . c parsed_2l4a 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -27.0 . . 22 . c . 23 . n . 23 . ca . 23 . c parsed_2l4a 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -27.0 . . 23 . c . 24 . n . 24 . ca . 24 . c parsed_2l4a 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -27.0 . . 24 . c . 25 . n . 25 . ca . 25 . c parsed_2l4a 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -27.0 . . 31 . c . 32 . n . 32 . ca . 32 . c parsed_2l4a 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -27.0 . . 32 . c . 33 . n . 33 . ca . 33 . c parsed_2l4a 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -27.0 . . 33 . c . 34 . n . 34 . ca . 34 . c parsed_2l4a 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -27.0 . . 34 . c . 35 . n . 35 . ca . 35 . c parsed_2l4a 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -27.0 . . 35 . c . 36 . n . 36 . ca . 36 . c parsed_2l4a 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -27.0 . . 36 . c . 37 . n . 37 . ca . 37 . c parsed_2l4a 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -27.0 . . 44 . c . 45 . n . 45 . ca . 45 . c parsed_2l4a 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -27.0 . . 45 . c . 46 . n . 46 . ca . 46 . c parsed_2l4a 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -27.0 . . 46 . c . 47 . n . 47 . ca . 47 . c parsed_2l4a 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -27.0 . . 47 . c . 48 . n . 48 . ca . 48 . c parsed_2l4a 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -27.0 . . 48 . c . 49 . n . 49 . ca . 49 . c parsed_2l4a 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -27.0 . . 49 . c . 50 . n . 50 . ca . 50 . c parsed_2l4a 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -27.0 . . 50 . c . 51 . n . 51 . ca . 51 . c parsed_2l4a 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -27.0 . . 51 . c . 52 . n . 52 . ca . 52 . c parsed_2l4a 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -27.0 . . 52 . c . 53 . n . 53 . ca . 53 . c parsed_2l4a 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -27.0 . . 53 . c . 54 . n . 54 . ca . 54 . c parsed_2l4a 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -17.0 . . 14 . n . 14 . ca . 14 . c . 15 . n parsed_2l4a 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -17.0 . . 15 . n . 15 . ca . 15 . c . 16 . n parsed_2l4a 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -17.0 . . 16 . n . 16 . ca . 16 . c . 17 . n parsed_2l4a 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -17.0 . . 17 . n . 17 . ca . 17 . c . 18 . n parsed_2l4a 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -17.0 . . 18 . n . 18 . ca . 18 . c . 19 . n parsed_2l4a 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -17.0 . . 19 . n . 19 . ca . 19 . c . 20 . n parsed_2l4a 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -17.0 . . 20 . n . 20 . ca . 20 . c . 21 . n parsed_2l4a 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -17.0 . . 21 . n . 21 . ca . 21 . c . 22 . n parsed_2l4a 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -17.0 . . 22 . n . 22 . ca . 22 . c . 23 . n parsed_2l4a 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -17.0 . . 23 . n . 23 . ca . 23 . c . 24 . n parsed_2l4a 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -17.0 . . 24 . n . 24 . ca . 24 . c . 25 . n parsed_2l4a 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -17.0 . . 25 . n . 25 . ca . 25 . c . 26 . n parsed_2l4a 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -17.0 . . 31 . n . 31 . ca . 31 . c . 32 . n parsed_2l4a 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -17.0 . . 32 . n . 32 . ca . 32 . c . 33 . n parsed_2l4a 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -17.0 . . 33 . n . 33 . ca . 33 . c . 34 . n parsed_2l4a 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -17.0 . . 34 . n . 34 . ca . 34 . c . 35 . n parsed_2l4a 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -17.0 . . 35 . n . 35 . ca . 35 . c . 36 . n parsed_2l4a 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -17.0 . . 36 . n . 36 . ca . 36 . c . 37 . n parsed_2l4a 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -17.0 . . 37 . n . 37 . ca . 37 . c . 38 . n parsed_2l4a 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -17.0 . . 45 . n . 45 . ca . 45 . c . 46 . n parsed_2l4a 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -17.0 . . 46 . n . 46 . ca . 46 . c . 47 . n parsed_2l4a 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -17.0 . . 47 . n . 47 . ca . 47 . c . 48 . n parsed_2l4a 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -17.0 . . 48 . n . 48 . ca . 48 . c . 49 . n parsed_2l4a 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -17.0 . . 49 . n . 49 . ca . 49 . c . 50 . n parsed_2l4a 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -17.0 . . 50 . n . 50 . ca . 50 . c . 51 . n parsed_2l4a 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -17.0 . . 51 . n . 51 . ca . 51 . c . 52 . n parsed_2l4a 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -17.0 . . 52 . n . 52 . ca . 52 . c . 53 . n parsed_2l4a 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -17.0 . . 53 . n . 53 . ca . 53 . c . 54 . n parsed_2l4a 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -17.0 . . 54 . n . 54 . ca . 54 . c . 55 . n parsed_2l4a 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 constraints based on chemical shift index
phi
helix A
;
1 1 5 9 parsed_2l4a 1
2 "helix B" 43 1 43 9 parsed_2l4a 1
3 "helix C (seems to start from 42, but it's a prolin)" 64 1 64 54 parsed_2l4a 1
4
;
============================================================================================
psi
;
96 1 98 5 parsed_2l4a 1
5 "helix B" 135 1 135 9 parsed_2l4a 1
6 "helix C" 159 1 159 9 parsed_2l4a 1
stop_
save_