NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | item_count |
|
|
33791 |
1iw4   |
5348 | cing | recoord | 2-parsed | STAR | dihedral angle | 62 |
data_1iw4_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1iw4
_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_1iw4 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1iw4
_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 1iw4 "Master copy" parsed_1iw4
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1iw4
_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 1iw4.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1iw4 1
1 1iw4.mr . . XPLOR/CNS 2 distance NOE simple 508 parsed_1iw4 1
1 1iw4.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 28 parsed_1iw4 1
1 1iw4.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 62 parsed_1iw4 1
1 1iw4.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1iw4 1
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1iw4
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 1 . c . 2 . n . 2 . ca . 2 . c parsed_1iw4 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 2 . c . 3 . n . 3 . ca . 3 . c parsed_1iw4 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 3 . c . 4 . n . 4 . ca . 4 . c parsed_1iw4 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 4 . c . 5 . n . 5 . ca . 5 . c parsed_1iw4 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 6 . c . 7 . n . 7 . ca . 7 . c parsed_1iw4 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 7 . c . 8 . n . 8 . ca . 8 . c parsed_1iw4 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 8 . c . 9 . n . 9 . ca . 9 . c parsed_1iw4 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 10 . c . 11 . n . 11 . ca . 11 . c parsed_1iw4 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 11 . c . 12 . n . 12 . ca . 12 . c parsed_1iw4 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 12 . c . 13 . n . 13 . ca . 13 . c parsed_1iw4 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 13 . c . 14 . n . 14 . ca . 14 . c parsed_1iw4 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 14 . c . 15 . n . 15 . ca . 15 . c parsed_1iw4 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 240.0 . . 15 . n . 15 . ca . 15 . cb . 15 . cg parsed_1iw4 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 15 . c . 16 . n . 16 . ca . 16 . c parsed_1iw4 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 16 . c . 17 . n . 17 . ca . 17 . c parsed_1iw4 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 17 . c . 18 . n . 18 . ca . 18 . c parsed_1iw4 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 120.0 . . 18 . n . 18 . ca . 18 . cb . 18 . cg parsed_1iw4 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 20 . n . 20 . ca . 20 . cb . 20 . cg parsed_1iw4 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 20 . c . 21 . n . 21 . ca . 21 . c parsed_1iw4 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 21 . c . 22 . n . 22 . ca . 22 . c parsed_1iw4 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 22 . c . 23 . n . 23 . ca . 23 . c parsed_1iw4 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 180.0 . . 23 . n . 23 . ca . 23 . c . 24 . n parsed_1iw4 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 23 . c . 24 . n . 24 . ca . 24 . c parsed_1iw4 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 180.0 . . 24 . n . 24 . ca . 24 . c . 25 . n parsed_1iw4 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 24 . c . 25 . n . 25 . ca . 25 . c parsed_1iw4 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 180.0 . . 25 . n . 25 . ca . 25 . c . 26 . n parsed_1iw4 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 25 . c . 26 . n . 26 . ca . 26 . c parsed_1iw4 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 180.0 . . 26 . n . 26 . ca . 26 . c . 27 . n parsed_1iw4 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 27 . c . 28 . n . 28 . ca . 28 . c parsed_1iw4 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 28 . c . 29 . n . 29 . ca . 29 . c parsed_1iw4 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 180.0 . . 29 . n . 29 . ca . 29 . c . 30 . n parsed_1iw4 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 29 . c . 30 . n . 30 . ca . 30 . c parsed_1iw4 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 180.0 . . 30 . n . 30 . ca . 30 . c . 31 . n parsed_1iw4 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 30 . c . 31 . n . 31 . ca . 31 . c parsed_1iw4 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 180.0 . . 31 . n . 31 . ca . 31 . c . 32 . n parsed_1iw4 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 31 . c . 32 . n . 32 . ca . 32 . c parsed_1iw4 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 180.0 . . 32 . n . 32 . ca . 32 . c . 33 . n parsed_1iw4 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 32 . c . 33 . n . 33 . ca . 33 . c parsed_1iw4 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 33 . c . 34 . n . 34 . ca . 34 . c parsed_1iw4 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 34 . c . 35 . n . 35 . ca . 35 . c parsed_1iw4 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 35 . n . 35 . ca . 35 . cb . 35 . cg parsed_1iw4 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 35 . c . 36 . n . 36 . ca . 36 . c parsed_1iw4 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 36 . n . 36 . ca . 36 . c . 37 . n parsed_1iw4 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 36 . c . 37 . n . 37 . ca . 37 . c parsed_1iw4 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 37 . n . 37 . ca . 37 . c . 38 . n parsed_1iw4 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 37 . c . 38 . n . 38 . ca . 38 . c parsed_1iw4 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 38 . n . 38 . ca . 38 . c . 39 . n parsed_1iw4 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 38 . c . 39 . n . 39 . ca . 39 . c parsed_1iw4 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 39 . n . 39 . ca . 39 . c . 40 . n parsed_1iw4 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 240.0 . . 39 . n . 39 . ca . 39 . cb . 39 . cg parsed_1iw4 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 40 . c . 41 . n . 41 . ca . 41 . c parsed_1iw4 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 120.0 . . 41 . n . 41 . ca . 41 . cb . 41 . sg parsed_1iw4 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 42 . c . 43 . n . 43 . ca . 43 . c parsed_1iw4 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 46 . c . 47 . n . 47 . ca . 47 . c parsed_1iw4 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 47 . c . 48 . n . 48 . ca . 48 . c parsed_1iw4 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 180.0 . . 48 . n . 48 . ca . 48 . c . 49 . n parsed_1iw4 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 48 . c . 49 . n . 49 . ca . 49 . c parsed_1iw4 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 180.0 . . 49 . n . 49 . ca . 49 . c . 50 . n parsed_1iw4 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 120.0 . . 49 . n . 49 . ca . 49 . cb . 49 . cg parsed_1iw4 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 49 . c . 50 . n . 50 . ca . 50 . c parsed_1iw4 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 180.0 . . 50 . n . 50 . ca . 50 . c . 51 . n parsed_1iw4 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 51 . n . 51 . ca . 51 . cb . 51 . cg parsed_1iw4 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 restraints" 2 1 2 22 parsed_1iw4 1
2 "message=off echo=off" 4 1 4 28 parsed_1iw4 1
3 H2 6 1 6 4 parsed_1iw4 1
4
;
Phi
M3
;
8 72 10 4 parsed_1iw4 1
5
;
Phi
D4
;
12 72 15 4 parsed_1iw4 1
6
;
Phi
C5
;
17 72 20 4 parsed_1iw4 1
7
;
Phi
E7
;
22 72 25 4 parsed_1iw4 1
8
;
Phi
F8
;
27 72 29 4 parsed_1iw4 1
9
;
Phi
N9
;
31 72 34 4 parsed_1iw4 1
10
;
Phi
L11
;
36 72 38 5 parsed_1iw4 1
11
;
Phi
C12
;
40 75 43 5 parsed_1iw4 1
12
;
Phi
R13
;
45 71 48 5 parsed_1iw4 1
13
;
Phi
C14
;
50 74 52 5 parsed_1iw4 1
14
;
Phi
N15
;
54 71 57 5 parsed_1iw4 1
15 Phi 59 74 59 78 parsed_1iw4 1
16
;
Chi1
K16
;
61 76 63 5 parsed_1iw4 1
17
;
Phi
M17
;
65 75 68 5 parsed_1iw4 1
18
;
Phi
L18
;
70 74 72 5 parsed_1iw4 1
19 Phi 74 71 74 75 parsed_1iw4 1
20
;
Chi 1
D20
;
76 75 78 5 parsed_1iw4 1
21
;
Chi1
L21
;
80 76 82 5 parsed_1iw4 1
22
;
Phi
I22
;
84 74 86 5 parsed_1iw4 1
23
;
Phi
C23
;
88 71 90 5 parsed_1iw4 1
24 Phi 92 71 92 75 parsed_1iw4 1
25
;
Psi
A24
;
94 69 97 5 parsed_1iw4 1
26 Phi 99 71 99 75 parsed_1iw4 1
27
;
Psi
V25
;
101 70 103 5 parsed_1iw4 1
28 Phi 105 71 105 75 parsed_1iw4 1
29
;
Psi
I26
;
107 70 109 5 parsed_1iw4 1
30 Phi 111 71 111 75 parsed_1iw4 1
31
;
Psi
D28
;
113 70 116 5 parsed_1iw4 1
32
;
Phi
A29
;
118 71 120 5 parsed_1iw4 1
33 Phi 122 71 122 75 parsed_1iw4 1
34
;
Psi
K30
;
124 70 126 5 parsed_1iw4 1
35 Phi 128 71 128 75 parsed_1iw4 1
36
;
Psi
E31
;
130 70 133 5 parsed_1iw4 1
37 Phi 135 74 135 78 parsed_1iw4 1
38
;
Psi
E32
;
137 70 139 5 parsed_1iw4 1
39 Phi 141 74 141 78 parsed_1iw4 1
40
;
Psi
H33
;
143 70 145 5 parsed_1iw4 1
41
;
Phi
R34
;
147 74 149 5 parsed_1iw4 1
42
;
Phi
N35
;
151 74 153 5 parsed_1iw4 1
43 Phi 155 74 155 78 parsed_1iw4 1
44
;
Chi 1
M36
;
157 76 159 5 parsed_1iw4 1
45 Phi 161 73 161 77 parsed_1iw4 1
46
;
Psi
C37
;
163 70 165 5 parsed_1iw4 1
47 Phi 167 73 167 77 parsed_1iw4 1
48
;
Psi
A38
;
169 70 172 5 parsed_1iw4 1
49 Phi 174 73 174 77 parsed_1iw4 1
50
;
Psi
L39
;
176 70 178 5 parsed_1iw4 1
51 Phi 180 73 180 77 parsed_1iw4 1
52 Psi 182 70 182 74 parsed_1iw4 1
53
;
Chi1
C41
;
184 75 186 5 parsed_1iw4 1
54 Phi 188 73 188 77 parsed_1iw4 1
55
;
Chi1
H43
;
190 75 192 5 parsed_1iw4 1
56
;
Phi
F47
;
194 74 196 5 parsed_1iw4 1
57
;
Phi
E48
;
198 75 200 5 parsed_1iw4 1
58 Phi 202 74 202 78 parsed_1iw4 1
59
;
Psi
Y49
;
204 70 207 5 parsed_1iw4 1
60 Phi 209 74 209 78 parsed_1iw4 1
61 Psi 211 70 211 74 parsed_1iw4 1
62
;
Chi1
S50
;
213 75 215 5 parsed_1iw4 1
63 Phi 217 74 217 78 parsed_1iw4 1
64
;
Psi
N51
;
219 70 222 5 parsed_1iw4 1
65 Chi1 224 76 224 81 parsed_1iw4 1
stop_
save_
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