NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
282799 |
2wqg   |
cing | 2-parsed | STAR | dihedral angle | 58 |
data_2wqg_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2wqg
_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_2wqg 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2wqg
_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 2wqg "Master copy" parsed_2wqg
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2wqg
_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 2wqg.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2wqg 1
1 2wqg.mr . . XPLOR/CNS 2 distance NOE simple 1024 parsed_2wqg 1
1 2wqg.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 48 parsed_2wqg 1
1 2wqg.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 58 parsed_2wqg 1
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2wqg
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -47.0 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_2wqg 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.0 -21.0 . . 5 . N . 5 . CA . 5 . C . 6 . N parsed_2wqg 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.0 -50.0 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_2wqg 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.0 -17.0 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_2wqg 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -114.0 -62.0 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_2wqg 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.0 11.0 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_2wqg 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -139.0 -73.0 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_2wqg 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155.0 185.0 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_2wqg 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.0 -50.0 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_2wqg 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.0 -24.0 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_2wqg 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.0 -52.0 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_2wqg 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.0 -34.0 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_2wqg 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.0 -53.0 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_2wqg 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.0 -33.0 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_2wqg 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.0 -56.0 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_2wqg 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.0 -30.0 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_2wqg 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -55.0 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_2wqg 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.0 -30.0 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_2wqg 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.0 -57.0 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_2wqg 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.0 -35.0 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_2wqg 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.0 -52.0 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_2wqg 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.0 -32.0 . . 16 . N . 16 . CA . 16 . C . 17 . N parsed_2wqg 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.0 -53.0 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_2wqg 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.0 -28.0 . . 17 . N . 17 . CA . 17 . C . 18 . N parsed_2wqg 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79.0 -59.0 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_2wqg 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.0 -29.0 . . 18 . N . 18 . CA . 18 . C . 19 . N parsed_2wqg 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -55.0 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_2wqg 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 -12.0 . . 19 . N . 19 . CA . 19 . C . 20 . N parsed_2wqg 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -118.0 -76.0 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_2wqg 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -13.0 25.0 . . 20 . N . 20 . CA . 20 . C . 21 . N parsed_2wqg 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.0 -47.0 . . 27 . C . 28 . N . 28 . CA . 28 . C parsed_2wqg 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.0 -24.0 . . 28 . N . 28 . CA . 28 . C . 29 . N parsed_2wqg 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -50.0 . . 28 . C . 29 . N . 29 . CA . 29 . C parsed_2wqg 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.0 -28.0 . . 29 . N . 29 . CA . 29 . C . 30 . N parsed_2wqg 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.0 -54.0 . . 29 . C . 30 . N . 30 . CA . 30 . C parsed_2wqg 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.0 -30.0 . . 30 . N . 30 . CA . 30 . C . 31 . N parsed_2wqg 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.0 -54.0 . . 30 . C . 31 . N . 31 . CA . 31 . C parsed_2wqg 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.0 -30.0 . . 31 . N . 31 . CA . 31 . C . 32 . N parsed_2wqg 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.0 -52.0 . . 31 . C . 32 . N . 32 . CA . 32 . C parsed_2wqg 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.0 -36.0 . . 32 . N . 32 . CA . 32 . C . 33 . N parsed_2wqg 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.0 -51.0 . . 32 . C . 33 . N . 33 . CA . 33 . C parsed_2wqg 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.0 -27.0 . . 33 . N . 33 . CA . 33 . C . 34 . N parsed_2wqg 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.0 -50.0 . . 33 . C . 34 . N . 34 . CA . 34 . C parsed_2wqg 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.0 -33.0 . . 34 . N . 34 . CA . 34 . C . 35 . N parsed_2wqg 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.0 -57.0 . . 34 . C . 35 . N . 35 . CA . 35 . C parsed_2wqg 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.0 -31.0 . . 35 . N . 35 . CA . 35 . C . 36 . N parsed_2wqg 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -53.0 . . 35 . C . 36 . N . 36 . CA . 36 . C parsed_2wqg 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.0 -36.0 . . 36 . N . 36 . CA . 36 . C . 37 . N parsed_2wqg 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.0 -52.0 . . 36 . C . 37 . N . 37 . CA . 37 . C parsed_2wqg 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.0 -32.0 . . 37 . N . 37 . CA . 37 . C . 38 . N parsed_2wqg 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.0 -54.0 . . 37 . C . 38 . N . 38 . CA . 38 . C parsed_2wqg 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.0 -29.0 . . 38 . N . 38 . CA . 38 . C . 39 . N parsed_2wqg 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.0 -51.0 . . 38 . C . 39 . N . 39 . CA . 39 . C parsed_2wqg 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.0 -21.0 . . 39 . N . 39 . CA . 39 . C . 40 . N parsed_2wqg 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.0 -57.0 . . 39 . C . 40 . N . 40 . CA . 40 . C parsed_2wqg 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.0 -22.0 . . 40 . N . 40 . CA . 40 . C . 41 . N parsed_2wqg 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.0 -51.0 . . 40 . C . 41 . N . 41 . CA . 41 . C parsed_2wqg 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.0 -18.0 . . 41 . N . 41 . CA . 41 . C . 42 . N parsed_2wqg 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 "residue Y5 -- phi" 1 1 1 21 parsed_2wqg 1
2 "residue Y5 -- psi" 4 1 4 21 parsed_2wqg 1
3
;
..................................................
residue S6 -- phi
;
7 1 8 21 parsed_2wqg 1
4 "residue S6 -- psi" 11 1 11 21 parsed_2wqg 1
5
;
..................................................
residue S7 -- phi
;
14 1 15 21 parsed_2wqg 1
6 "residue S7 -- psi" 18 1 18 21 parsed_2wqg 1
7
;
..................................................
residue T9 -- phi
;
21 1 22 21 parsed_2wqg 1
8 "residue T9 -- psi" 25 1 25 21 parsed_2wqg 1
9
;
..................................................
residue V10 -- phi
;
28 1 29 22 parsed_2wqg 1
10 "residue V10 -- psi" 32 1 32 22 parsed_2wqg 1
11
;
..................................................
residue V11 -- phi
;
35 1 36 22 parsed_2wqg 1
12 "residue V11 -- psi" 39 1 39 22 parsed_2wqg 1
13
;
..................................................
residue Q12 -- phi
;
42 1 43 22 parsed_2wqg 1
14 "residue Q12 -- psi" 46 1 46 22 parsed_2wqg 1
15
;
..................................................
residue L13 -- phi
;
49 1 50 22 parsed_2wqg 1
16 "residue L13 -- psi" 53 1 53 22 parsed_2wqg 1
17
;
..................................................
residue K14 -- phi
;
56 1 57 22 parsed_2wqg 1
18 "residue K14 -- psi" 60 1 60 22 parsed_2wqg 1
19
;
..................................................
residue D15 -- phi
;
63 1 64 22 parsed_2wqg 1
20 "residue D15 -- psi" 67 1 67 22 parsed_2wqg 1
21
;
..................................................
residue L16 -- phi
;
70 1 71 22 parsed_2wqg 1
22 "residue L16 -- psi" 74 1 74 22 parsed_2wqg 1
23
;
..................................................
residue L17 -- phi
;
77 1 78 22 parsed_2wqg 1
24 "residue L17 -- psi" 81 1 81 22 parsed_2wqg 1
25
;
..................................................
residue T18 -- phi
;
84 1 85 22 parsed_2wqg 1
26 "residue T18 -- psi" 88 1 88 22 parsed_2wqg 1
27
;
..................................................
residue K19 -- phi
;
91 1 92 22 parsed_2wqg 1
28 "residue K19 -- psi" 95 1 95 22 parsed_2wqg 1
29
;
..................................................
residue R20 -- phi
;
98 1 99 22 parsed_2wqg 1
30 "residue R20 -- psi" 102 1 102 22 parsed_2wqg 1
31
;
..................................................
residue K28 -- phi
;
105 1 106 22 parsed_2wqg 1
32 "residue K28 -- psi" 109 1 109 22 parsed_2wqg 1
33
;
..................................................
residue N29 -- phi
;
112 1 113 22 parsed_2wqg 1
34 "residue N29 -- psi" 116 1 116 22 parsed_2wqg 1
35
;
..................................................
residue E30 -- phi
;
119 1 120 22 parsed_2wqg 1
36 "residue E30 -- psi" 123 1 123 22 parsed_2wqg 1
37
;
..................................................
residue L31 -- phi
;
126 1 127 22 parsed_2wqg 1
38 "residue L31 -- psi" 130 1 130 22 parsed_2wqg 1
39
;
..................................................
residue V32 -- phi
;
133 1 134 22 parsed_2wqg 1
40 "residue V32 -- psi" 137 1 137 22 parsed_2wqg 1
41
;
..................................................
residue Q33 -- phi
;
140 1 141 22 parsed_2wqg 1
42 "residue Q33 -- psi" 144 1 144 22 parsed_2wqg 1
43
;
..................................................
residue R34 -- phi
;
147 1 148 22 parsed_2wqg 1
44 "residue R34 -- psi" 151 1 151 22 parsed_2wqg 1
45
;
..................................................
residue L35 -- phi
;
154 1 155 22 parsed_2wqg 1
46 "residue L35 -- psi" 158 1 158 22 parsed_2wqg 1
47
;
..................................................
residue I36 -- phi
;
161 1 162 22 parsed_2wqg 1
48 "residue I36 -- psi" 165 1 165 22 parsed_2wqg 1
49
;
..................................................
residue K37 -- phi
;
168 1 169 22 parsed_2wqg 1
50 "residue K37 -- psi" 172 1 172 22 parsed_2wqg 1
51
;
..................................................
residue D38 -- phi
;
175 1 176 22 parsed_2wqg 1
52 "residue D38 -- psi" 179 1 179 22 parsed_2wqg 1
53
;
..................................................
residue D39 -- phi
;
182 1 183 22 parsed_2wqg 1
54 "residue D39 -- psi" 186 1 186 22 parsed_2wqg 1
55
;
..................................................
residue E40 -- phi
;
189 1 190 22 parsed_2wqg 1
56 "residue E40 -- psi" 193 1 193 22 parsed_2wqg 1
57
;
..................................................
residue E41 -- phi
;
196 1 197 22 parsed_2wqg 1
58 "residue E41 -- psi" 200 1 200 22 parsed_2wqg 1
59 .................................................. 203 1 203 52 parsed_2wqg 1
stop_
save_
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