Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
42129 | 1y1b RC | 6386 | cing | 2-parsed | STAR | dihedral angle | 48 |
data_1y1b_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1y1b
_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_1y1b 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1y1b
_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 1y1b "Master copy" parsed_1y1b
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1y1b
_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 1y1b.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1y1b 1
1 1y1b.mr . . XPLOR/CNS 2 distance NOE simple 672 parsed_1y1b 1
1 1y1b.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 46 parsed_1y1b 1
1 1y1b.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 48 parsed_1y1b 1
1 1y1b.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1y1b 1
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1y1b
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 2 . c . 3 . n . 3 . ca . 3 . c parsed_1y1b 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 3 . c . 4 . n . 4 . ca . 4 . c parsed_1y1b 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 4 . n . 4 . ca . 4 . cb . 4 . sg parsed_1y1b 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 7 . c . 8 . n . 8 . ca . 8 . c parsed_1y1b 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 8 . n . 8 . ca . 8 . cb . 8 . sg parsed_1y1b 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 8 . c . 9 . n . 9 . ca . 9 . c parsed_1y1b 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 11 . c . 12 . n . 12 . ca . 12 . c parsed_1y1b 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 12 . n . 12 . ca . 12 . cb . 12 . cg parsed_1y1b 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 12 . c . 13 . n . 13 . ca . 13 . c parsed_1y1b 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 240.0 . . 13 . n . 13 . ca . 13 . cb . 13 . cg parsed_1y1b 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 14 . c . 15 . n . 15 . ca . 15 . c parsed_1y1b 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 15 . c . 16 . n . 16 . ca . 16 . c parsed_1y1b 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 180.0 . . 16 . n . 16 . ca . 16 . c . 17 . n parsed_1y1b 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 16 . n . 16 . ca . 16 . cb . 16 . sg parsed_1y1b 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 20 . c . 21 . n . 21 . ca . 21 . c parsed_1y1b 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 180.0 . . 21 . n . 21 . ca . 21 . c . 22 . n parsed_1y1b 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 21 . c . 22 . n . 22 . ca . 22 . c parsed_1y1b 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 180.0 . . 22 . n . 22 . ca . 22 . c . 23 . n parsed_1y1b 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 22 . c . 23 . n . 23 . ca . 23 . c parsed_1y1b 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 180.0 . . 23 . n . 23 . ca . 23 . c . 24 . n parsed_1y1b 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 23 . n . 23 . ca . 23 . cb . 23 . cg parsed_1y1b 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 25 . c . 26 . n . 26 . ca . 26 . c parsed_1y1b 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 26 . n . 26 . ca . 26 . c . 27 . n parsed_1y1b 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 26 . c . 27 . n . 27 . ca . 27 . c parsed_1y1b 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 27 . n . 27 . ca . 27 . c . 28 . n parsed_1y1b 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 27 . n . 27 . ca . 27 . cb . 27 . sg parsed_1y1b 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 27 . c . 28 . n . 28 . ca . 28 . c parsed_1y1b 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 28 . n . 28 . ca . 28 . c . 29 . n parsed_1y1b 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 28 . c . 29 . n . 29 . ca . 29 . c parsed_1y1b 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 29 . n . 29 . ca . 29 . c . 30 . n parsed_1y1b 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 29 . c . 30 . n . 30 . ca . 30 . c parsed_1y1b 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 30 . n . 30 . ca . 30 . c . 31 . n parsed_1y1b 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 32 . c . 33 . n . 33 . ca . 33 . c parsed_1y1b 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 33 . c . 34 . n . 34 . ca . 34 . c parsed_1y1b 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 35 . c . 36 . n . 36 . ca . 36 . c parsed_1y1b 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 240.0 . . 36 . n . 36 . ca . 36 . cb . 36 . og parsed_1y1b 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 36 . c . 37 . n . 37 . ca . 37 . c parsed_1y1b 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 37 . c . 38 . n . 38 . ca . 38 . c parsed_1y1b 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 39 . c . 40 . n . 40 . ca . 40 . c parsed_1y1b 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 40 . c . 41 . n . 41 . ca . 41 . c parsed_1y1b 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 180.0 . . 41 . n . 41 . ca . 41 . c . 42 . n parsed_1y1b 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 41 . c . 42 . n . 42 . ca . 42 . c parsed_1y1b 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 180.0 . . 42 . n . 42 . ca . 42 . c . 43 . n parsed_1y1b 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 42 . n . 42 . ca . 42 . cb . 42 . cg parsed_1y1b 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 42 . c . 43 . n . 43 . ca . 43 . c parsed_1y1b 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 44 . c . 45 . n . 45 . ca . 45 . c parsed_1y1b 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 46 . c . 47 . n . 47 . ca . 47 . c parsed_1y1b 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 48 . n . 48 . ca . 48 . cb . 48 . sg parsed_1y1b 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
D3
;
2 1 4 4 parsed_1y1b 1
2
;
Phi
C4
;
6 69 8 4 parsed_1y1b 1
3 Phi 10 69 10 73 parsed_1y1b 1
4
;
Chi 1
C8
;
12 74 14 4 parsed_1y1b 1
5 Phi 16 69 16 73 parsed_1y1b 1
6
;
Chi 1
T9
;
18 74 21 4 parsed_1y1b 1
7
;
Phi
Y12
;
23 69 25 5 parsed_1y1b 1
8 Phi 27 71 27 75 parsed_1y1b 1
9
;
Chi 1
D13
;
29 76 31 5 parsed_1y1b 1
10 Phi 33 71 33 75 parsed_1y1b 1
11
;
Chi 1
V15
;
35 76 38 5 parsed_1y1b 1
12
;
Phi
C16
;
40 71 42 5 parsed_1y1b 1
13 Phi 44 71 44 75 parsed_1y1b 1
14 Psi 46 70 46 74 parsed_1y1b 1
15
;
Chi 1
I21
;
48 76 50 5 parsed_1y1b 1
16 Phi 52 71 52 75 parsed_1y1b 1
17
;
Psi
T22
;
54 70 56 5 parsed_1y1b 1
18 Phi 58 71 58 75 parsed_1y1b 1
19
;
Psi
Y23
;
60 70 62 5 parsed_1y1b 1
20 Phi 64 71 64 75 parsed_1y1b 1
21 Psi 66 70 66 74 parsed_1y1b 1
22
;
Chi 1
A26
;
68 76 70 5 parsed_1y1b 1
23 Phi 72 70 72 74 parsed_1y1b 1
24
;
Psi
C27
;
74 70 76 5 parsed_1y1b 1
25 Phi 78 70 78 74 parsed_1y1b 1
26 Psi 80 70 80 74 parsed_1y1b 1
27
;
Chi 1
M28
;
82 76 84 5 parsed_1y1b 1
28 Phi 86 70 86 75 parsed_1y1b 1
29
;
Psi
L29
;
88 70 90 5 parsed_1y1b 1
30 Phi 92 70 92 74 parsed_1y1b 1
31
;
Psi
L30
;
94 70 96 5 parsed_1y1b 1
32 Phi 98 70 98 74 parsed_1y1b 1
33
;
Psi
S33
;
100 70 102 5 parsed_1y1b 1
34
;
Phi
C34
;
104 70 106 5 parsed_1y1b 1
35
;
Phi
S36
;
108 70 110 5 parsed_1y1b 1
36 Phi 112 71 112 75 parsed_1y1b 1
37
;
Chi 1
D37
;
114 76 116 5 parsed_1y1b 1
38
;
Phi
T38
;
118 71 120 5 parsed_1y1b 1
39
;
Phi
I40
;
122 71 124 5 parsed_1y1b 1
40
;
Phi
E41
;
126 71 128 5 parsed_1y1b 1
41 Phi 130 71 130 75 parsed_1y1b 1
42
;
Psi
L42
;
132 70 134 5 parsed_1y1b 1
43 Phi 136 71 136 75 parsed_1y1b 1
44 Psi 138 70 138 74 parsed_1y1b 1
45
;
Chi 1
V43
;
140 76 142 5 parsed_1y1b 1
46
;
Phi
K45
;
144 71 146 5 parsed_1y1b 1
47
;
Phi
R47
;
148 71 150 5 parsed_1y1b 1
48
;
Phi
C48
;
152 70 154 5 parsed_1y1b 1
49 "Chi 1" 156 76 156 82 parsed_1y1b 1
stop_
save_