NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
31812 |
1f3c   |
4911 | cing | 2-parsed | STAR | dihedral angle | 50 |
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" 50 parsed_1f3c 1
1 1f3c.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 51 parsed_1f3c 1
1 1f3c.mr . . XPLOR/CNS 7 "dihedral angle" "Not applicable" "Not applicable" 50 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_7
_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 7
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . CHA2 15 . n CHA2 15 . ca CHA2 15 . c CHA2 16 . n parsed_1f3c 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . CHA2 16 . n CHA2 16 . ca CHA2 16 . c CHA2 17 . n parsed_1f3c 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . CHA2 17 . n CHA2 17 . ca CHA2 17 . c CHA2 18 . n parsed_1f3c 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . CHA2 18 . n CHA2 18 . ca CHA2 18 . c CHA2 19 . n parsed_1f3c 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . CHA2 19 . n CHA2 19 . ca CHA2 19 . c CHA2 20 . n parsed_1f3c 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . CHA2 20 . n CHA2 20 . ca CHA2 20 . c CHA2 21 . n parsed_1f3c 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . CHA2 21 . n CHA2 21 . ca CHA2 21 . c CHA2 22 . n parsed_1f3c 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . CHA2 22 . n CHA2 22 . ca CHA2 22 . c CHA2 23 . n parsed_1f3c 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . CHA2 23 . n CHA2 23 . ca CHA2 23 . c CHA2 24 . n parsed_1f3c 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . CHA2 24 . n CHA2 24 . ca CHA2 24 . c CHA2 25 . n parsed_1f3c 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . CHA2 25 . n CHA2 25 . ca CHA2 25 . c CHA2 26 . n parsed_1f3c 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . CHA2 26 . n CHA2 26 . ca CHA2 26 . c CHA2 27 . n parsed_1f3c 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . CHA2 27 . n CHA2 27 . ca CHA2 27 . c CHA2 28 . n parsed_1f3c 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . CHA2 28 . n CHA2 28 . ca CHA2 28 . c CHA2 29 . n parsed_1f3c 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . CHA2 29 . n CHA2 29 . ca CHA2 29 . c CHA2 30 . n parsed_1f3c 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . CHA2 30 . n CHA2 30 . ca CHA2 30 . c CHA2 31 . n parsed_1f3c 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . CHA2 31 . n CHA2 31 . ca CHA2 31 . c CHA2 32 . n parsed_1f3c 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . CHA2 35 . n CHA2 35 . ca CHA2 35 . c CHA2 36 . n parsed_1f3c 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . CHA2 36 . n CHA2 36 . ca CHA2 36 . c CHA2 37 . n parsed_1f3c 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . CHA2 37 . n CHA2 37 . ca CHA2 37 . c CHA2 38 . n parsed_1f3c 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . CHA2 38 . n CHA2 38 . ca CHA2 38 . c CHA2 39 . n parsed_1f3c 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . CHA2 39 . n CHA2 39 . ca CHA2 39 . c CHA2 40 . n parsed_1f3c 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . CHA2 40 . n CHA2 40 . ca CHA2 40 . c CHA2 41 . n parsed_1f3c 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . CHA2 41 . n CHA2 41 . ca CHA2 41 . c CHA2 42 . n parsed_1f3c 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . CHA2 42 . n CHA2 42 . ca CHA2 42 . c CHA2 43 . n parsed_1f3c 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . CHA2 43 . n CHA2 43 . ca CHA2 43 . c CHA2 44 . n parsed_1f3c 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . CHA2 44 . n CHA2 44 . ca CHA2 44 . c CHA2 45 . n parsed_1f3c 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . CHA2 45 . n CHA2 45 . ca CHA2 45 . c CHA2 46 . n parsed_1f3c 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . CHA2 46 . n CHA2 46 . ca CHA2 46 . c CHA2 47 . n parsed_1f3c 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . CHA2 47 . n CHA2 47 . ca CHA2 47 . c CHA2 48 . n parsed_1f3c 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . CHA2 48 . n CHA2 48 . ca CHA2 48 . c CHA2 49 . n parsed_1f3c 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . CHA2 49 . n CHA2 49 . ca CHA2 49 . c CHA2 50 . n parsed_1f3c 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 170.0 . CHA2 54 . n CHA2 54 . ca CHA2 54 . c CHA2 55 . n parsed_1f3c 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 170.0 . CHA2 55 . n CHA2 55 . ca CHA2 55 . c CHA2 56 . n parsed_1f3c 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 170.0 . CHA2 56 . n CHA2 56 . ca CHA2 56 . c CHA2 57 . n parsed_1f3c 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 170.0 . CHA2 57 . n CHA2 57 . ca CHA2 57 . c CHA2 58 . n parsed_1f3c 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 170.0 . CHA2 58 . n CHA2 58 . ca CHA2 58 . c CHA2 59 . n parsed_1f3c 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 170.0 . CHA2 63 . n CHA2 63 . ca CHA2 63 . c CHA2 64 . n parsed_1f3c 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 170.0 . CHA2 64 . n CHA2 64 . ca CHA2 64 . c CHA2 65 . n parsed_1f3c 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 170.0 . CHA2 66 . n CHA2 66 . ca CHA2 66 . c CHA2 67 . n parsed_1f3c 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 170.0 . CHA2 67 . n CHA2 67 . ca CHA2 67 . c CHA2 68 . n parsed_1f3c 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 170.0 . CHA2 76 . n CHA2 76 . ca CHA2 76 . c CHA2 77 . n parsed_1f3c 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 170.0 . CHA2 77 . n CHA2 77 . ca CHA2 77 . c CHA2 78 . n parsed_1f3c 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 170.0 . CHA2 78 . n CHA2 78 . ca CHA2 78 . c CHA2 79 . n parsed_1f3c 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 170.0 . CHA2 81 . n CHA2 81 . ca CHA2 81 . c CHA2 82 . n parsed_1f3c 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 170.0 . CHA2 82 . n CHA2 82 . ca CHA2 82 . c CHA2 83 . n parsed_1f3c 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 170.0 . CHA2 83 . n CHA2 83 . ca CHA2 83 . c CHA2 84 . n parsed_1f3c 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 170.0 . CHA2 84 . n CHA2 84 . ca CHA2 84 . c CHA2 85 . n parsed_1f3c 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 170.0 . CHA2 85 . n CHA2 85 . ca CHA2 85 . c CHA2 86 . n parsed_1f3c 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 170.0 . CHA2 87 . n CHA2 87 . ca CHA2 87 . c CHA2 88 . n 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
;
psi.tbl
monomer a
13-14 : helix
assign (segid CHA2 and resid 13 and name n ) (segid CHA2 and resid 13 and name ca )
(segid CHA2 and resid 13 and name c )(segid CHA2 and resid 14 and name n ) 1 -40.0 30.0 2
14-15 : helix
assign (segid CHA2 and resid 14 and name n ) (segid CHA2 and resid 14 and name ca )
(segid CHA2 and resid 14 and name c )(segid CHA2 and resid 15 and name n ) 1 -40.0 30.0 2
15-16 : helix
;
1 1 11 16 parsed_1f3c 1
2 "16-17 : helix" 14 1 14 16 parsed_1f3c 1
3 "17-18 : helix" 17 1 17 16 parsed_1f3c 1
4 "18-19 : helix" 20 1 20 16 parsed_1f3c 1
5 "19-20 : helix" 23 1 23 16 parsed_1f3c 1
6 "20-21 : helix" 26 1 26 16 parsed_1f3c 1
7 "21-22 : helix" 29 1 29 16 parsed_1f3c 1
8 "22-23 : helix" 32 1 32 16 parsed_1f3c 1
9 "23-24 : helix" 35 1 35 16 parsed_1f3c 1
10 "24-25 : helix" 38 1 38 16 parsed_1f3c 1
11 "25-26 : helix" 41 1 41 16 parsed_1f3c 1
12 "26-27 : helix" 44 1 44 16 parsed_1f3c 1
13 "27-28 : helix" 47 1 47 16 parsed_1f3c 1
14 "28-29 : helix" 50 1 50 16 parsed_1f3c 1
15 "29-30 : helix" 53 1 53 16 parsed_1f3c 1
16 "30-31 : helix" 56 1 56 16 parsed_1f3c 1
17 "31-32 : helix" 59 1 59 16 parsed_1f3c 1
18 "35-36 : helix" 63 1 63 16 parsed_1f3c 1
19 "36-37 : helix" 68 1 68 16 parsed_1f3c 1
20 "37-38 : helix" 71 1 71 16 parsed_1f3c 1
21 "38-39 : helix" 74 1 74 16 parsed_1f3c 1
22 "39-40 : helix" 77 1 77 16 parsed_1f3c 1
23 "40-41 : helix" 80 1 80 16 parsed_1f3c 1
24 "41-42 : helix" 83 1 83 16 parsed_1f3c 1
25 "42-43 : helix" 86 1 86 16 parsed_1f3c 1
26 "43-44 : helix" 89 1 89 16 parsed_1f3c 1
27 "44-45 : helix" 92 1 92 16 parsed_1f3c 1
28 "45-46 : helix" 95 1 95 16 parsed_1f3c 1
29 "46-47 : helix" 98 1 98 16 parsed_1f3c 1
30 "47-48 : helix" 101 1 101 16 parsed_1f3c 1
31 "48-49 : helix" 104 1 104 16 parsed_1f3c 1
32 "49-50 : helix" 107 1 107 16 parsed_1f3c 1
33
;
50-51 : helix
assign (segid CHA2 and resid 50 and name n ) (segid CHA2 and resid 50 and name ca )
(segid CHA2 and resid 50 and name c )(segid CHA2 and resid 51 and name n ) 1 -40.0 30.0 2
51-52 : helix
assign (segid CHA2 and resid 51 and name n ) (segid CHA2 and resid 51 and name ca )
(segid CHA2 and resid 51 and name c )(segid CHA2 and resid 52 and name n ) 1 -40.0 30.0 2
54-55 : strand
;
110 1 117 17 parsed_1f3c 1
34 "55-56 : strand" 121 1 121 17 parsed_1f3c 1
35 "56-57 : strand" 125 1 125 17 parsed_1f3c 1
36 "57-58 : strand" 129 1 129 17 parsed_1f3c 1
37 "58-59 : strand" 133 1 133 17 parsed_1f3c 1
38 "63-64 : strand" 137 1 137 17 parsed_1f3c 1
39 "64-65 : strand" 141 1 141 17 parsed_1f3c 1
40 "66-67 : strand" 145 1 145 17 parsed_1f3c 1
41 "67-68 : strand" 149 1 149 17 parsed_1f3c 1
42 "76-77 : strand" 153 1 153 17 parsed_1f3c 1
43 "77-78 : strand" 157 1 157 17 parsed_1f3c 1
44 "78-79 : strand" 161 1 161 17 parsed_1f3c 1
45
;
80-81 : strand
assign (segid CHA2 and resid 80 and name n ) (segid CHA2 and resid 80 and name ca )
(segid CHA2 and resid 80 and name c )(segid CHA2 and resid 81 and name n ) 1 120.0 50.0 2
81-82 : strand
;
165 1 169 17 parsed_1f3c 1
46 "82-83 : strand" 173 1 173 17 parsed_1f3c 1
47 "83-84 : strand" 177 1 177 17 parsed_1f3c 1
48 "84-85 : strand" 181 1 181 17 parsed_1f3c 1
49 "85-86 : strand" 185 1 185 17 parsed_1f3c 1
50 "87-88 : strand" 189 1 189 17 parsed_1f3c 1
stop_
save_
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