NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | item_count |
|
|
33820 |
1iyc   |
5491 | cing | recoord | 2-parsed | STAR | dihedral angle | 36 |
data_1iyc_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1iyc
_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_1iyc 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1iyc
_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 1iyc "Master copy" parsed_1iyc
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1iyc
_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 1iyc.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1iyc 1
1 1iyc.mr . . XPLOR/CNS 2 distance NOE simple 492 parsed_1iyc 1
1 1iyc.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 10 parsed_1iyc 1
1 1iyc.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 36 parsed_1iyc 1
1 1iyc.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1iyc 1
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1iyc
_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 . . 1 . c . 2 . n . 2 . ca . 2 . c parsed_1iyc 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 3 . c . 4 . n . 4 . ca . 4 . c parsed_1iyc 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 4 . c . 5 . n . 5 . ca . 5 . c parsed_1iyc 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 6 . c . 7 . n . 7 . ca . 7 . c parsed_1iyc 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 7 . c . 8 . n . 8 . ca . 8 . c parsed_1iyc 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 9 . c . 10 . n . 10 . ca . 10 . c parsed_1iyc 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 11 . c . 12 . n . 12 . ca . 12 . c parsed_1iyc 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 12 . c . 13 . n . 13 . ca . 13 . c parsed_1iyc 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 14 . c . 15 . n . 15 . ca . 15 . c parsed_1iyc 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 15 . c . 16 . n . 16 . ca . 16 . c parsed_1iyc 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 16 . c . 17 . n . 17 . ca . 17 . c parsed_1iyc 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 17 . n . 17 . ca . 17 . cb . 17 . cg parsed_1iyc 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 17 . c . 18 . n . 18 . ca . 18 . c parsed_1iyc 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 18 . n . 18 . ca . 18 . cb . 18 . sg parsed_1iyc 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 19 . c . 20 . n . 20 . ca . 20 . c parsed_1iyc 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 21 . c . 22 . n . 22 . ca . 22 . c parsed_1iyc 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 22 . c . 23 . n . 23 . ca . 23 . c parsed_1iyc 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 180.0 . . 23 . n . 23 . ca . 23 . c . 24 . n parsed_1iyc 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 23 . c . 24 . n . 24 . ca . 24 . c parsed_1iyc 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 180.0 . . 24 . n . 24 . ca . 24 . c . 25 . n parsed_1iyc 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 240.0 . . 24 . n . 24 . ca . 24 . cb . 24 . cg parsed_1iyc 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 24 . c . 25 . n . 25 . ca . 25 . c parsed_1iyc 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 26 . c . 27 . n . 27 . ca . 27 . c parsed_1iyc 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 27 . c . 28 . n . 28 . ca . 28 . c parsed_1iyc 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 180.0 . . 28 . n . 28 . ca . 28 . c . 29 . n parsed_1iyc 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 28 . n . 28 . ca . 28 . cb . 28 . cg parsed_1iyc 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 28 . c . 29 . n . 29 . ca . 29 . c parsed_1iyc 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 180.0 . . 29 . n . 29 . ca . 29 . c . 30 . n parsed_1iyc 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 240.0 . . 29 . n . 29 . ca . 29 . cb . 29 . sg parsed_1iyc 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 29 . c . 30 . n . 30 . ca . 30 . c parsed_1iyc 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 30 . c . 31 . n . 31 . ca . 31 . c parsed_1iyc 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 32 . c . 33 . n . 33 . ca . 33 . c parsed_1iyc 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 33 . n . 33 . ca . 33 . cb . 33 . cg parsed_1iyc 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 33 . c . 34 . n . 34 . ca . 34 . c parsed_1iyc 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 34 . c . 35 . n . 35 . ca . 35 . c parsed_1iyc 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 35 . n . 35 . ca . 35 . cb . 35 . cg parsed_1iyc 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 angle
L2
;
1 1 4 4 parsed_1iyc 1
2
;
Phi
K4
;
6 72 8 4 parsed_1iyc 1
3
;
Phi
L5
;
10 72 13 4 parsed_1iyc 1
4
;
Phi
D7
;
15 72 17 4 parsed_1iyc 1
5
;
Phi
D8
;
19 72 21 4 parsed_1iyc 1
6
;
Phi
V10
;
23 72 25 5 parsed_1iyc 1
7
;
Phi
I12
;
27 74 30 5 parsed_1iyc 1
8
;
Phi
R13
;
32 71 35 5 parsed_1iyc 1
9
;
Phi
R15
;
37 74 39 5 parsed_1iyc 1
10
;
Phi
S16
;
41 74 43 5 parsed_1iyc 1
11
;
Phi
N17
;
45 74 48 5 parsed_1iyc 1
12 Phi 50 74 50 78 parsed_1iyc 1
13
;
Chi 1
C18
;
52 76 54 5 parsed_1iyc 1
14 Phi 56 71 56 75 parsed_1iyc 1
15
;
Chi 1
K20
;
58 76 60 5 parsed_1iyc 1
16
;
Phi
K22
;
62 71 64 5 parsed_1iyc 1
17
;
Phi
V23
;
66 71 68 5 parsed_1iyc 1
18 Phi 70 71 70 75 parsed_1iyc 1
19
;
Psi
W24
;
72 70 75 5 parsed_1iyc 1
20 Phi 77 71 77 75 parsed_1iyc 1
21 Psi 79 70 79 74 parsed_1iyc 1
22
;
Chi 1
N25
;
81 76 83 5 parsed_1iyc 1
23
;
Phi
F27
;
85 71 87 5 parsed_1iyc 1
24
;
Phi
D28
;
89 71 92 5 parsed_1iyc 1
25 Phi 94 71 94 75 parsed_1iyc 1
26 Psi 96 70 96 74 parsed_1iyc 1
27
;
Chi 1
C29
;
98 76 100 5 parsed_1iyc 1
28 Phi 102 71 102 75 parsed_1iyc 1
29 Psi 104 70 104 74 parsed_1iyc 1
30
;
Chi 1
K30
;
106 75 108 5 parsed_1iyc 1
31
;
Phi
S31
;
110 71 112 5 parsed_1iyc 1
32 Phi 114 74 114 78 parsed_1iyc 1
33 Phi 118 74 118 78 parsed_1iyc 1
34
;
Chi 1
A34
;
120 76 122 5 parsed_1iyc 1
35
;
Phi
F35
;
124 74 126 5 parsed_1iyc 1
36 Phi 128 74 128 78 parsed_1iyc 1
37 "Chi 1" 130 76 130 82 parsed_1iyc 1
stop_
loop_
_TA_constraint_parse_err.ID
_TA_constraint_parse_err.Content
_TA_constraint_parse_err.Begin_line
_TA_constraint_parse_err.Begin_column
_TA_constraint_parse_err.End_line
_TA_constraint_parse_err.End_column
_TA_constraint_parse_err.Entry_ID
_TA_constraint_parse_err.Torsion_angle_constraint_list_ID
1 F33 116 1 116 3 parsed_1iyc 1
stop_
save_
Contact the webmaster for help, if required. Monday, May 20, 2024 11:21:33 AM GMT (wattos1)