NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
31809 |
1f3c   |
4911 | cing | 2-parsed | STAR | dihedral angle | 51 |
data_1f3c_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1f3c
_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_1f3c 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1f3c
_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 1f3c "Master copy" parsed_1f3c
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1f3c
_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 1f3c.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1f3c 1
1 1f3c.mr . . XPLOR/CNS 2 distance NOE simple 3500 parsed_1f3c 1
1 1f3c.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 178 parsed_1f3c 1
1 1f3c.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 51 parsed_1f3c 1
1 1f3c.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1f3c 1
1 1f3c.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1f3c 1
1 1f3c.mr . . XPLOR/CNS 7 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1f3c 1
1 1f3c.mr . . n/a 8 comment "Not applicable" "Not applicable" 0 parsed_1f3c 1
1 1f3c.mr . . "MR format" 9 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1f3c 1
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1f3c
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 4
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . CHA1 14 . c CHA1 15 . n CHA1 15 . ca CHA1 15 . c parsed_1f3c 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . CHA1 15 . c CHA1 16 . n CHA1 16 . ca CHA1 16 . c parsed_1f3c 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . CHA1 16 . c CHA1 17 . n CHA1 17 . ca CHA1 17 . c parsed_1f3c 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . CHA1 17 . c CHA1 18 . n CHA1 18 . ca CHA1 18 . c parsed_1f3c 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . CHA1 18 . c CHA1 19 . n CHA1 19 . ca CHA1 19 . c parsed_1f3c 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . CHA1 19 . c CHA1 20 . n CHA1 20 . ca CHA1 20 . c parsed_1f3c 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . CHA1 20 . c CHA1 21 . n CHA1 21 . ca CHA1 21 . c parsed_1f3c 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . CHA1 21 . c CHA1 22 . n CHA1 22 . ca CHA1 22 . c parsed_1f3c 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . CHA1 22 . c CHA1 23 . n CHA1 23 . ca CHA1 23 . c parsed_1f3c 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . CHA1 23 . c CHA1 24 . n CHA1 24 . ca CHA1 24 . c parsed_1f3c 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . CHA1 24 . c CHA1 25 . n CHA1 25 . ca CHA1 25 . c parsed_1f3c 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . CHA1 25 . c CHA1 26 . n CHA1 26 . ca CHA1 26 . c parsed_1f3c 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . CHA1 26 . c CHA1 27 . n CHA1 27 . ca CHA1 27 . c parsed_1f3c 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . CHA1 27 . c CHA1 28 . n CHA1 28 . ca CHA1 28 . c parsed_1f3c 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . CHA1 28 . c CHA1 29 . n CHA1 29 . ca CHA1 29 . c parsed_1f3c 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . CHA1 29 . c CHA1 30 . n CHA1 30 . ca CHA1 30 . c parsed_1f3c 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . CHA1 30 . c CHA1 31 . n CHA1 31 . ca CHA1 31 . c parsed_1f3c 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . CHA1 34 . c CHA1 35 . n CHA1 35 . ca CHA1 35 . c parsed_1f3c 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . CHA1 35 . c CHA1 36 . n CHA1 36 . ca CHA1 36 . c parsed_1f3c 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . CHA1 36 . c CHA1 37 . n CHA1 37 . ca CHA1 37 . c parsed_1f3c 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . CHA1 37 . c CHA1 38 . n CHA1 38 . ca CHA1 38 . c parsed_1f3c 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . CHA1 38 . c CHA1 39 . n CHA1 39 . ca CHA1 39 . c parsed_1f3c 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . CHA1 39 . c CHA1 40 . n CHA1 40 . ca CHA1 40 . c parsed_1f3c 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . CHA1 40 . c CHA1 41 . n CHA1 41 . ca CHA1 41 . c parsed_1f3c 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . CHA1 41 . c CHA1 42 . n CHA1 42 . ca CHA1 42 . c parsed_1f3c 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . CHA1 42 . c CHA1 43 . n CHA1 43 . ca CHA1 43 . c parsed_1f3c 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . CHA1 43 . c CHA1 44 . n CHA1 44 . ca CHA1 44 . c parsed_1f3c 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . CHA1 44 . c CHA1 45 . n CHA1 45 . ca CHA1 45 . c parsed_1f3c 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . CHA1 45 . c CHA1 46 . n CHA1 46 . ca CHA1 46 . c parsed_1f3c 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . CHA1 46 . c CHA1 47 . n CHA1 47 . ca CHA1 47 . c parsed_1f3c 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . CHA1 47 . c CHA1 48 . n CHA1 48 . ca CHA1 48 . c parsed_1f3c 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . CHA1 48 . c CHA1 49 . n CHA1 49 . ca CHA1 49 . c parsed_1f3c 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . CHA1 53 . c CHA1 54 . n CHA1 54 . ca CHA1 54 . c parsed_1f3c 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . CHA1 54 . c CHA1 55 . n CHA1 55 . ca CHA1 55 . c parsed_1f3c 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . CHA1 55 . c CHA1 56 . n CHA1 56 . ca CHA1 56 . c parsed_1f3c 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . CHA1 56 . c CHA1 57 . n CHA1 57 . ca CHA1 57 . c parsed_1f3c 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . CHA1 57 . c CHA1 58 . n CHA1 58 . ca CHA1 58 . c parsed_1f3c 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . CHA1 62 . c CHA1 63 . n CHA1 63 . ca CHA1 63 . c parsed_1f3c 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . CHA1 63 . c CHA1 64 . n CHA1 64 . ca CHA1 64 . c parsed_1f3c 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . CHA1 65 . c CHA1 66 . n CHA1 66 . ca CHA1 66 . c parsed_1f3c 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . CHA1 66 . c CHA1 67 . n CHA1 67 . ca CHA1 67 . c parsed_1f3c 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . CHA1 75 . c CHA1 76 . n CHA1 76 . ca CHA1 76 . c parsed_1f3c 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . CHA1 76 . c CHA1 77 . n CHA1 77 . ca CHA1 77 . c parsed_1f3c 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . CHA1 77 . c CHA1 78 . n CHA1 78 . ca CHA1 78 . c parsed_1f3c 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . CHA1 79 . c CHA1 80 . n CHA1 80 . ca CHA1 80 . c parsed_1f3c 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . CHA1 80 . c CHA1 81 . n CHA1 81 . ca CHA1 81 . c parsed_1f3c 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . CHA1 81 . c CHA1 82 . n CHA1 82 . ca CHA1 82 . c parsed_1f3c 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . CHA1 82 . c CHA1 83 . n CHA1 83 . ca CHA1 83 . c parsed_1f3c 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . CHA1 83 . c CHA1 84 . n CHA1 84 . ca CHA1 84 . c parsed_1f3c 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . CHA1 84 . c CHA1 85 . n CHA1 85 . ca CHA1 85 . c parsed_1f3c 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . CHA1 86 . c CHA1 87 . n CHA1 87 . ca CHA1 87 . c parsed_1f3c 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.tbl for monomer A
monomer a
restraints dihedral reset
12-13 : helix
assign (segid CHA1 and resid 12 and name c ) (segid CHA1 and resid 13 and name n )
(segid CHA1 and resid 13 and name ca ) (segid CHA1 and resid 13 and name c ) 1 -60.0 30.0 2
13-14 : helix
assign (segid CHA1 and resid 13 and name c ) (segid CHA1 and resid 14 and name n )
(segid CHA1 and resid 14 and name ca ) (segid CHA1 and resid 14 and name c ) 1 -60.0 30.0 2
14-15 : helix
;
1 1 11 16 parsed_1f3c 1
2 "15-16 : helix" 14 1 14 16 parsed_1f3c 1
3 "16-17 : helix" 17 1 17 16 parsed_1f3c 1
4 "17-18 : helix" 20 1 20 16 parsed_1f3c 1
5 "18-19 : helix" 23 1 23 16 parsed_1f3c 1
6 "19-20 : helix" 26 1 26 16 parsed_1f3c 1
7 "20-21 : helix" 29 1 29 16 parsed_1f3c 1
8 "21-22 : helix" 32 1 32 16 parsed_1f3c 1
9 "22-23 : helix" 35 1 35 16 parsed_1f3c 1
10 "23-24 : helix" 38 1 38 16 parsed_1f3c 1
11 "24-25 : helix" 41 1 41 16 parsed_1f3c 1
12 "25-26 : helix" 44 1 44 16 parsed_1f3c 1
13 "26-27 : helix" 47 1 47 16 parsed_1f3c 1
14 "27-28 : helix" 50 1 50 16 parsed_1f3c 1
15 "28-29 : helix" 53 1 53 16 parsed_1f3c 1
16 "29-30 : helix" 56 1 56 16 parsed_1f3c 1
17 "30-31 : helix" 59 1 59 16 parsed_1f3c 1
18 "34-35 : helix" 63 1 63 16 parsed_1f3c 1
19 "35-36 : helix" 67 1 67 16 parsed_1f3c 1
20 "36-37 : helix" 70 1 70 16 parsed_1f3c 1
21 "37-38 : helix" 73 1 73 16 parsed_1f3c 1
22 "38-39 : helix" 76 1 76 16 parsed_1f3c 1
23 "39-40 : helix" 79 1 79 16 parsed_1f3c 1
24 "40-41 : helix" 82 1 82 16 parsed_1f3c 1
25 "41-42 : helix" 85 1 85 16 parsed_1f3c 1
26 "42-43 : helix" 88 1 88 16 parsed_1f3c 1
27 "43-44 : helix" 91 1 91 16 parsed_1f3c 1
28 "44-45 : helix" 94 1 94 16 parsed_1f3c 1
29 "45-46 : helix" 97 1 97 16 parsed_1f3c 1
30 "46-47 : helix" 100 1 100 16 parsed_1f3c 1
31 "47-48 : helix" 103 1 103 16 parsed_1f3c 1
32 "48-49 : helix" 106 1 106 16 parsed_1f3c 1
33
;
49-50 : helix
assign (segid CHA1 and resid 49 and name c ) (segid CHA1 and resid 50 and name n )
(segid CHA1 and resid 50 and name ca ) (segid CHA1 and resid 50 and name c ) 1 -60.0 30.0 2
50-51 : helix
assign (segid CHA1 and resid 50 and name c ) (segid CHA1 and resid 51 and name n )
(segid CHA1 and resid 51 and name ca ) (segid CHA1 and resid 51 and name c ) 1 -60.0 30.0 2
53-54 : strand
;
109 1 116 17 parsed_1f3c 1
34 "54-55 : strand" 120 1 120 17 parsed_1f3c 1
35 "55-56 : strand" 124 1 124 17 parsed_1f3c 1
36 "56-57 : strand" 128 1 128 17 parsed_1f3c 1
37 "57-58 : strand" 132 1 132 17 parsed_1f3c 1
38 "62-63 : strand" 136 1 136 17 parsed_1f3c 1
39 "63-64 : strand" 140 1 140 17 parsed_1f3c 1
40 "65-66 : strand" 144 1 144 17 parsed_1f3c 1
41 "66-67 : strand" 148 1 148 17 parsed_1f3c 1
42 "75-76 : strand" 152 1 152 17 parsed_1f3c 1
43 "76-77 : strand" 156 1 156 17 parsed_1f3c 1
44 "77-78 : strand" 160 1 160 17 parsed_1f3c 1
45 "79-80 : strand" 164 1 164 17 parsed_1f3c 1
46 "80-81 : strand" 168 1 168 17 parsed_1f3c 1
47 "81-82 : strand" 172 1 172 17 parsed_1f3c 1
48 "82-83 : strand" 176 1 176 17 parsed_1f3c 1
49 "83-84 : strand" 180 1 180 17 parsed_1f3c 1
50 "84-85 : strand" 184 1 184 17 parsed_1f3c 1
51 "86-87 : strand" 188 1 188 17 parsed_1f3c 1
stop_
save_
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