NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
33604 |
1ikm   |
cing | 2-parsed | STAR | dihedral angle | 61 |
data_1ikm_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1ikm
_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_1ikm 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1ikm
_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 1ikm "Master copy" parsed_1ikm
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1ikm
_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 1ikm.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1ikm 1
1 1ikm.mr . . XPLOR/CNS 2 distance NOE simple 903 parsed_1ikm 1
1 1ikm.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 61 parsed_1ikm 1
1 1ikm.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 0 parsed_1ikm 1
1 1ikm.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1ikm 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1ikm
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 3
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -50.0 . . 6 . c . 7 . n . 7 . ca . 7 . c parsed_1ikm 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -80.0 . . 8 . c . 9 . n . 9 . ca . 9 . c parsed_1ikm 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -125.0 -65.0 . . 9 . c . 10 . n . 10 . ca . 10 . c parsed_1ikm 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 11 . c . 12 . n . 12 . ca . 12 . c parsed_1ikm 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -90.0 . . 16 . c . 17 . n . 17 . ca . 17 . c parsed_1ikm 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -50.0 . . 17 . c . 18 . n . 18 . ca . 18 . c parsed_1ikm 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -50.0 . . 21 . c . 22 . n . 22 . ca . 22 . c parsed_1ikm 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.0 -70.0 . . 22 . c . 23 . n . 23 . ca . 23 . c parsed_1ikm 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -195.0 -135.0 . . 23 . c . 24 . n . 24 . ca . 24 . c parsed_1ikm 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -100.0 . . 25 . c . 26 . n . 26 . ca . 26 . c parsed_1ikm 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.0 -70.0 . . 26 . c . 27 . n . 27 . ca . 27 . c parsed_1ikm 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -80.0 . . 27 . c . 28 . n . 28 . ca . 28 . c parsed_1ikm 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -50.0 . . 28 . c . 29 . n . 29 . ca . 29 . c parsed_1ikm 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -50.0 . . 29 . c . 30 . n . 30 . ca . 30 . c parsed_1ikm 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -120.0 . . 33 . c . 34 . n . 34 . ca . 34 . c parsed_1ikm 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -40.0 . . 34 . c . 35 . n . 35 . ca . 35 . c parsed_1ikm 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 35 . c . 36 . n . 36 . ca . 36 . c parsed_1ikm 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -70.0 . . 38 . c . 39 . n . 39 . ca . 39 . c parsed_1ikm 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -90.0 . . 39 . c . 40 . n . 40 . ca . 40 . c parsed_1ikm 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -70.0 . . 40 . c . 41 . n . 41 . ca . 41 . c parsed_1ikm 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -100.0 . . 41 . c . 42 . n . 42 . ca . 42 . c parsed_1ikm 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -50.0 . . 43 . c . 44 . n . 44 . ca . 44 . c parsed_1ikm 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -115.0 -35.0 . . 46 . c . 47 . n . 47 . ca . 47 . c parsed_1ikm 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -100.0 . . 47 . c . 48 . n . 48 . ca . 48 . c parsed_1ikm 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 48 . c . 49 . n . 49 . ca . 49 . c parsed_1ikm 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.0 -65.0 . . 49 . c . 50 . n . 50 . ca . 50 . c parsed_1ikm 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -125.0 -65.0 . . 50 . c . 51 . n . 51 . ca . 51 . c parsed_1ikm 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -50.0 . . 53 . c . 54 . n . 54 . ca . 54 . c parsed_1ikm 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -50.0 . . 54 . c . 55 . n . 55 . ca . 55 . c parsed_1ikm 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -50.0 . . 55 . c . 56 . n . 56 . ca . 56 . c parsed_1ikm 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -40.0 . . 56 . c . 57 . n . 57 . ca . 57 . c parsed_1ikm 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -115.0 -55.0 . . 57 . c . 58 . n . 58 . ca . 58 . c parsed_1ikm 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 58 . c . 59 . n . 59 . ca . 59 . c parsed_1ikm 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -40.0 . . 59 . c . 60 . n . 60 . ca . 60 . c parsed_1ikm 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -45.0 . . 60 . c . 61 . n . 61 . ca . 61 . c parsed_1ikm 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -45.0 . . 61 . c . 62 . n . 62 . ca . 62 . c parsed_1ikm 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -115.0 -55.0 . . 62 . c . 63 . n . 63 . ca . 63 . c parsed_1ikm 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -45.0 . . 63 . c . 64 . n . 64 . ca . 64 . c parsed_1ikm 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -45.0 . . 64 . c . 65 . n . 65 . ca . 65 . c parsed_1ikm 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -45.0 . . 65 . c . 66 . n . 66 . ca . 66 . c parsed_1ikm 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 7 . n . 7 . ca . 7 . cb . 7 . sg parsed_1ikm 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 9 . n . 9 . ca . 9 . cb . 9 . sg parsed_1ikm 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 34 . n . 34 . ca . 34 . cb . 34 . sg parsed_1ikm 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 50 . n . 50 . ca . 50 . cb . 50 . sg parsed_1ikm 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 58 . n . 58 . ca . 58 . cb . 58 . cg1 parsed_1ikm 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 27 . n . 27 . ca . 27 . cb . 27 . cg1 parsed_1ikm 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 61 . n . 61 . ca . 61 . cb . 61 . cg1 parsed_1ikm 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 10 . n . 10 . ca . 10 . cb . 10 . cg1 parsed_1ikm 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 22 . n . 22 . ca . 22 . cb . 22 . cg1 parsed_1ikm 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 28 . n . 28 . ca . 28 . cb . 28 . cg1 parsed_1ikm 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 39 . n . 39 . ca . 39 . cb . 39 . cg1 parsed_1ikm 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 40 . n . 40 . ca . 40 . cb . 40 . cg1 parsed_1ikm 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 43 . n . 43 . ca . 43 . cb . 43 . cg parsed_1ikm 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 21 . n . 21 . ca . 21 . cb . 21 . cg parsed_1ikm 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 57 . n . 57 . ca . 57 . cb . 57 . cg parsed_1ikm 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 37 . n . 37 . ca . 37 . cb . 37 . og1 parsed_1ikm 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 12 . n . 12 . ca . 12 . cb . 12 . og1 parsed_1ikm 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 30 . n . 30 . ca . 30 . cb . 30 . og parsed_1ikm 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 36 . n . 36 . ca . 36 . cb . 36 . cg parsed_1ikm 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 55 . n . 55 . ca . 55 . cb . 55 . cg parsed_1ikm 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 65 . n . 65 . ca . 65 . cb . 65 . cg parsed_1ikm 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
! PHI RESTRAINTS: MINIMUM DEVIATION = 30 DEGREES
! 7
;
1 1 4 11 parsed_1ikm 1
2 "! 9" 7 3 7 11 parsed_1ikm 1
3 "! 10" 10 3 10 11 parsed_1ikm 1
4 "! 12" 13 3 13 11 parsed_1ikm 1
5 "! 17" 16 3 16 11 parsed_1ikm 1
6 "! 18" 19 3 19 12 parsed_1ikm 1
7 "! 22" 22 3 22 11 parsed_1ikm 1
8 "! 23" 25 3 25 12 parsed_1ikm 1
9 "! 24" 28 3 28 12 parsed_1ikm 1
10 "! 26" 31 3 31 12 parsed_1ikm 1
11 "! 27" 34 3 34 12 parsed_1ikm 1
12 "! 28" 37 3 37 12 parsed_1ikm 1
13 "! 29" 40 3 40 11 parsed_1ikm 1
14 "! 30" 43 3 43 11 parsed_1ikm 1
15 "! 34" 46 3 46 12 parsed_1ikm 1
16 "! 35" 49 3 49 12 parsed_1ikm 1
17 "! 36" 52 3 52 12 parsed_1ikm 1
18 "! 39" 55 3 55 12 parsed_1ikm 1
19 "! 40" 58 3 58 12 parsed_1ikm 1
20 "! 41" 61 3 61 12 parsed_1ikm 1
21 "! 42" 64 3 64 12 parsed_1ikm 1
22 "! 44" 67 3 67 12 parsed_1ikm 1
23 "! 47" 70 3 70 12 parsed_1ikm 1
24 "! 48" 73 3 73 11 parsed_1ikm 1
25 "! 49" 76 3 76 12 parsed_1ikm 1
26 "! 50" 79 3 79 11 parsed_1ikm 1
27 "! 51" 82 3 82 12 parsed_1ikm 1
28 "! 54" 85 3 85 12 parsed_1ikm 1
29 "! 55" 88 3 88 12 parsed_1ikm 1
30 "! 56" 91 3 91 12 parsed_1ikm 1
31 "! 57" 94 3 94 12 parsed_1ikm 1
32 "! 58" 97 3 97 12 parsed_1ikm 1
33 "! 59" 100 3 100 12 parsed_1ikm 1
34 "! 60" 103 3 103 12 parsed_1ikm 1
35 "! 61" 106 3 106 12 parsed_1ikm 1
36 "! 62" 109 3 109 12 parsed_1ikm 1
37 "! 63" 112 3 112 12 parsed_1ikm 1
38 "! 64" 115 3 115 12 parsed_1ikm 1
39 "! 65" 118 3 118 12 parsed_1ikm 1
40 "! 66" 121 3 121 12 parsed_1ikm 1
41
;
!chi
!7
;
125 1 126 5 parsed_1ikm 1
42 !9 129 2 129 5 parsed_1ikm 1
43 !34 132 2 132 6 parsed_1ikm 1
44 !50 135 2 135 6 parsed_1ikm 1
45 !58 138 3 138 7 parsed_1ikm 1
46 !27 141 3 141 7 parsed_1ikm 1
47 !61 144 3 144 7 parsed_1ikm 1
48 !10 147 3 147 7 parsed_1ikm 1
49 !22 150 3 150 7 parsed_1ikm 1
50 !28 153 3 153 7 parsed_1ikm 1
51 !39 156 3 156 7 parsed_1ikm 1
52 !40 159 3 159 7 parsed_1ikm 1
53 !43 162 3 162 7 parsed_1ikm 1
54 !21 165 3 165 7 parsed_1ikm 1
55 !57 168 3 168 7 parsed_1ikm 1
56 !37 171 3 171 7 parsed_1ikm 1
57 !12 174 3 174 7 parsed_1ikm 1
58 !30 177 3 177 7 parsed_1ikm 1
59 !36 180 3 180 7 parsed_1ikm 1
60 !55 183 3 183 7 parsed_1ikm 1
61 !65 186 3 186 7 parsed_1ikm 1
stop_
save_
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