NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
46857 |
2fk4   |
6407 | cing | 2-parsed | STAR | dihedral angle | 63 |
data_2fk4_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2fk4
_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_2fk4 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2fk4
_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 2fk4 "Master copy" parsed_2fk4
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2fk4
_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 2fk4.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2fk4 1
1 2fk4.mr . . XPLOR/CNS 2 distance NOE simple 944 parsed_2fk4 1
1 2fk4.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 12 parsed_2fk4 1
1 2fk4.mr . . XPLOR/CNS 4 distance "general distance" simple 34 parsed_2fk4 1
1 2fk4.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 63 parsed_2fk4 1
1 2fk4.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2fk4 1
stop_
save_
save_CNS/XPLOR_dihedral_5
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2fk4
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 5
_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 -110.0 . . 3 . c . 4 . n . 4 . ca . 4 . c parsed_2fk4 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 165.0 . . 4 . n . 4 . ca . 4 . c . 5 . n parsed_2fk4 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -110.0 . . 4 . c . 5 . n . 5 . ca . 5 . c parsed_2fk4 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 165.0 . . 5 . n . 5 . ca . 5 . c . 6 . n parsed_2fk4 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -110.0 . . 5 . c . 6 . n . 6 . ca . 6 . c parsed_2fk4 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 165.0 . . 6 . n . 6 . ca . 6 . c . 7 . n parsed_2fk4 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -90.0 . . 47 . c . 48 . n . 48 . ca . 48 . c parsed_2fk4 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 165.0 . . 48 . n . 48 . ca . 48 . c . 49 . n parsed_2fk4 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -110.0 . . 48 . c . 49 . n . 49 . ca . 49 . c parsed_2fk4 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 165.0 . . 49 . n . 49 . ca . 49 . c . 50 . n parsed_2fk4 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -110.0 . . 49 . c . 50 . n . 50 . ca . 50 . c parsed_2fk4 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 165.0 . . 50 . n . 50 . ca . 50 . c . 51 . n parsed_2fk4 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -110.0 . . 50 . c . 51 . n . 51 . ca . 51 . c parsed_2fk4 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 165.0 . . 51 . n . 51 . ca . 51 . c . 52 . n parsed_2fk4 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 51 . c . 52 . n . 52 . ca . 52 . c parsed_2fk4 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 150.0 . . 52 . n . 52 . ca . 52 . c . 53 . n parsed_2fk4 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 55.0 115.0 . . 52 . c . 53 . n . 53 . ca . 53 . c parsed_2fk4 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.0 30.0 . . 53 . n . 53 . ca . 53 . c . 54 . n parsed_2fk4 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -110.0 . . 53 . c . 54 . n . 54 . ca . 54 . c parsed_2fk4 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 165.0 . . 54 . n . 54 . ca . 54 . c . 55 . n parsed_2fk4 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -110.0 . . 54 . c . 55 . n . 55 . ca . 55 . c parsed_2fk4 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 165.0 . . 55 . n . 55 . ca . 55 . c . 56 . n parsed_2fk4 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -110.0 . . 55 . c . 56 . n . 56 . ca . 56 . c parsed_2fk4 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 11 . c . 12 . n . 12 . ca . 12 . c parsed_2fk4 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -20.0 . . 12 . n . 12 . ca . 12 . c . 13 . n parsed_2fk4 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 12 . c . 13 . n . 13 . ca . 13 . c parsed_2fk4 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -20.0 . . 13 . n . 13 . ca . 13 . c . 14 . n parsed_2fk4 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 13 . c . 14 . n . 14 . ca . 14 . c parsed_2fk4 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -20.0 . . 14 . n . 14 . ca . 14 . c . 15 . n parsed_2fk4 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 14 . c . 15 . n . 15 . ca . 15 . c parsed_2fk4 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -20.0 . . 15 . n . 15 . ca . 15 . c . 16 . n parsed_2fk4 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 15 . c . 16 . n . 16 . ca . 16 . c parsed_2fk4 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -20.0 . . 16 . n . 16 . ca . 16 . c . 17 . n parsed_2fk4 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -25.0 . . 16 . c . 17 . n . 17 . ca . 17 . c parsed_2fk4 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -10.0 . . 17 . n . 17 . ca . 17 . c . 18 . n parsed_2fk4 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -115.0 -25.0 . . 35 . c . 36 . n . 36 . ca . 36 . c parsed_2fk4 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 36 . c . 37 . n . 37 . ca . 37 . c parsed_2fk4 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -20.0 . . 37 . n . 37 . ca . 37 . c . 38 . n parsed_2fk4 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 37 . c . 38 . n . 38 . ca . 38 . c parsed_2fk4 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -20.0 . . 38 . n . 38 . ca . 38 . c . 39 . n parsed_2fk4 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 38 . c . 39 . n . 39 . ca . 39 . c parsed_2fk4 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -20.0 . . 39 . n . 39 . ca . 39 . c . 40 . n parsed_2fk4 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 39 . c . 40 . n . 40 . ca . 40 . c parsed_2fk4 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -20.0 . . 40 . n . 40 . ca . 40 . c . 41 . n parsed_2fk4 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 40 . c . 41 . n . 41 . ca . 41 . c parsed_2fk4 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -20.0 . . 41 . n . 41 . ca . 41 . c . 42 . n parsed_2fk4 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 41 . c . 42 . n . 42 . ca . 42 . c parsed_2fk4 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -20.0 . . 42 . n . 42 . ca . 42 . c . 43 . n parsed_2fk4 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 58 . c . 59 . n . 59 . ca . 59 . c parsed_2fk4 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 0.0 . . 59 . n . 59 . ca . 59 . c . 60 . n parsed_2fk4 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -25.0 . . 59 . c . 60 . n . 60 . ca . 60 . c parsed_2fk4 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -20.0 . . 60 . n . 60 . ca . 60 . c . 61 . n parsed_2fk4 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 60 . c . 61 . n . 61 . ca . 61 . c parsed_2fk4 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -20.0 . . 61 . n . 61 . ca . 61 . c . 62 . n parsed_2fk4 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 61 . c . 62 . n . 62 . ca . 62 . c parsed_2fk4 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -20.0 . . 62 . n . 62 . ca . 62 . c . 63 . n parsed_2fk4 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -147.0 -57.0 . . 20 . c . 21 . n . 21 . ca . 21 . c parsed_2fk4 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -136.0 -46.0 . . 21 . c . 22 . n . 22 . ca . 22 . c parsed_2fk4 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -164.0 -74.0 . . 23 . c . 24 . n . 24 . ca . 24 . c parsed_2fk4 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -107.0 -17.0 . . 25 . c . 26 . n . 26 . ca . 26 . c parsed_2fk4 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -164.0 -74.0 . . 27 . c . 28 . n . 28 . ca . 28 . c parsed_2fk4 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -104.0 -14.0 . . 30 . c . 31 . n . 31 . ca . 31 . c parsed_2fk4 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -30.0 . . 33 . c . 34 . n . 34 . ca . 34 . c parsed_2fk4 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 "! Y4" 1 2 1 11 parsed_2fk4 1
2 "! S5" 6 2 6 11 parsed_2fk4 1
3 "! L6" 11 2 11 11 parsed_2fk4 1
4 "! F48" 16 2 16 11 parsed_2fk4 1
5 "! H49" 21 2 21 11 parsed_2fk4 1
6 "! N50" 26 2 26 11 parsed_2fk4 1
7 "! I51" 31 2 31 11 parsed_2fk4 1
8 "! R52 TURN II" 36 2 36 19 parsed_2fk4 1
9 "! G53 TURN II" 41 2 41 19 parsed_2fk4 1
10 "! R54" 46 2 46 11 parsed_2fk4 1
11 "! W55" 51 2 51 11 parsed_2fk4 1
12 "! T56" 56 2 56 11 parsed_2fk4 1
13 "! E12 ALPHA1" 60 1 60 18 parsed_2fk4 1
14 "! Q13 ALPHA1" 65 2 65 18 parsed_2fk4 1
15 "! Q14 ALPHA1" 70 2 70 18 parsed_2fk4 1
16 "! Y15 ALPHA1" 75 2 75 18 parsed_2fk4 1
17 "! N16 ALPHA1" 80 2 80 18 parsed_2fk4 1
18 "! K17 ALPHA1" 85 2 85 18 parsed_2fk4 1
19 "! E36 ALPHA3b" 90 2 90 19 parsed_2fk4 1
20 "! E37 ALPHA3b" 93 2 93 19 parsed_2fk4 1
21 "! K38 ALPHA3b" 98 2 98 19 parsed_2fk4 1
22 "! Q39 ALPHA3b" 103 2 103 19 parsed_2fk4 1
23 "! R40 ALPHA3b" 108 2 108 19 parsed_2fk4 1
24 "! H41 ALPHA3b" 113 2 113 19 parsed_2fk4 1
25 "! L42 ALPHA3b" 118 2 118 19 parsed_2fk4 1
26 "! C59 ALPHA4" 124 2 124 18 parsed_2fk4 1
27 "! M60 ALPHA4" 129 2 129 18 parsed_2fk4 1
28 "! S61 ALPHA4" 134 2 134 18 parsed_2fk4 1
29 "! C62 ALPHA4" 139 2 139 18 parsed_2fk4 1
30 "! D21" 145 2 145 11 parsed_2fk4 1
31 "! L22" 148 2 148 11 parsed_2fk4 1
32 "! I24" 151 2 151 11 parsed_2fk4 1
33 "! C26" 154 2 154 11 parsed_2fk4 1
34 "! N28" 157 2 157 11 parsed_2fk4 1
35 "! K31" 160 2 160 11 parsed_2fk4 1
36 "! S34" 163 2 163 11 parsed_2fk4 1
stop_
save_
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