NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
38828 |
1s6w   |
6085 | cing | 2-parsed | STAR | dihedral angle | 24 |
data_1s6w_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1s6w
_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_1s6w 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1s6w
_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 1s6w "Master copy" parsed_1s6w
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1s6w
_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 1s6w.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1s6w 1
1 1s6w.mr . . STAR 2 sequence "Not applicable" "Not applicable" 0 parsed_1s6w 1
1 1s6w.mr . . STAR 3 "chemical shift" "Not applicable" "Not applicable" 0 parsed_1s6w 1
1 1s6w.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 24 parsed_1s6w 1
1 1s6w.mr . . XPLOR/CNS 5 distance NOE simple 0 parsed_1s6w 1
1 1s6w.mr . . XPLOR/CNS 6 distance NOE ambi 0 parsed_1s6w 1
1 1s6w.mr . . XPLOR/CNS 7 distance "hydrogen bond" simple 0 parsed_1s6w 1
1 1s6w.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1s6w 1
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1s6w
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.440 -118.120 . . 1 . c . 2 . n . 2 . ca . 2 . c parsed_1s6w 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.960 -118.360 . . 2 . c . 3 . n . 3 . ca . 3 . c parsed_1s6w 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -124.840 -86.020 . . 3 . c . 4 . n . 4 . ca . 4 . c parsed_1s6w 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -152.970 -123.530 . . 4 . c . 5 . n . 5 . ca . 5 . c parsed_1s6w 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180 -60 . . 6 . c . 7 . n . 7 . ca . 7 . c parsed_1s6w 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.330 -108.310 . . 8 . c . 9 . n . 9 . ca . 9 . c parsed_1s6w 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 10 . c . 11 . n . 11 . ca . 11 . c parsed_1s6w 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180 0 . . 11 . c . 12 . n . 12 . ca . 12 . c parsed_1s6w 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 12 . c . 13 . n . 13 . ca . 13 . c parsed_1s6w 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180 -60 . . 13 . c . 14 . n . 14 . ca . 14 . c parsed_1s6w 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -142.660 -108.220 . . 14 . c . 15 . n . 15 . ca . 15 . c parsed_1s6w 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180 -60 . . 15 . c . 16 . n . 16 . ca . 16 . c parsed_1s6w 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.850 -80.710 . . 16 . c . 17 . n . 17 . ca . 17 . c parsed_1s6w 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -109.800 -74.120 . . 19 . c . 20 . n . 20 . ca . 20 . c parsed_1s6w 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 134.330 159.850 . . 2 . n . 2 . ca . 2 . c . 3 . n parsed_1s6w 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.670 154.150 . . 3 . n . 3 . ca . 3 . c . 4 . n parsed_1s6w 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.620 142.580 . . 4 . n . 4 . ca . 4 . c . 5 . n parsed_1s6w 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 151.550 168.670 . . 5 . n . 5 . ca . 5 . c . 6 . n parsed_1s6w 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 129.470 163.510 . . 9 . n . 9 . ca . 9 . c . 10 . n parsed_1s6w 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 124.040 163.400 . . 15 . n . 15 . ca . 15 . c . 16 . n parsed_1s6w 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 126.790 141.450 . . 17 . n . 17 . ca . 17 . c . 18 . n parsed_1s6w 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.420 159.760 . . 20 . n . 20 . ca . 20 . c . 21 . n parsed_1s6w 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.130 148.710 . . 18 . n . 18 . ca . 18 . c . 19 . n parsed_1s6w 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -128.170 -104.050 . . 17 . c . 18 . n . 18 . ca . 18 . c parsed_1s6w 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 angles
2C
;
2 1 4 4 parsed_1s6w 1
2
;
8.5
3R
;
6 73 7 17 parsed_1s6w 1
3
;
8.5
4F
;
9 73 10 17 parsed_1s6w 1
4
;
7.6
5C
;
12 73 13 17 parsed_1s6w 1
5
;
7.6
7N
;
15 73 16 17 parsed_1s6w 1
6
;
6.9
9C
;
18 65 20 17 parsed_1s6w 1
7
;
10.4
11N
;
22 73 27 18 parsed_1s6w 1
8
;
8.6
12M
;
29 67 30 18 parsed_1s6w 1
9
;
7.7
13S
;
32 66 33 18 parsed_1s6w 1
10
;
8.1
14G
;
35 67 36 18 parsed_1s6w 1
11
;
7
15C
;
38 67 39 18 parsed_1s6w 1
12
;
6.9
16G
;
41 75 42 18 parsed_1s6w 1
13
;
6.2
17V
;
44 67 45 18 parsed_1s6w 1
14
;
7.6
20R
;
47 74 48 18 parsed_1s6w 1
15
;
7.6
psi angles
2C
;
50 75 55 17 parsed_1s6w 1
16
;
7.6
3R
;
57 72 59 17 parsed_1s6w 1
17
;
7.6
4F
;
61 72 62 17 parsed_1s6w 1
18
;
7.6
5C
;
64 72 66 17 parsed_1s6w 1
19
;
7.6
9C
;
68 71 71 17 parsed_1s6w 1
20
;
7.6
15C
;
73 73 78 18 parsed_1s6w 1
21
;
7.6
17C
;
80 74 83 18 parsed_1s6w 1
22
;
7.6
20R
;
85 73 87 18 parsed_1s6w 1
23
;
7.6
18C
;
89 74 94 18 parsed_1s6w 1
24
;
7.6
18C
;
96 74 98 18 parsed_1s6w 1
25 9.8 100 75 100 79 parsed_1s6w 1
stop_
save_
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