NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | item_count |
|
|
35941 |
1mnl   |
4222 | cing | recoord | 2-parsed | STAR | dihedral angle | 59 |
data_1mnl_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1mnl
_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_1mnl 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1mnl
_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 1mnl "Master copy" parsed_1mnl
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1mnl
_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 1mnl.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1mnl 1
1 1mnl.mr . . XPLOR/CNS 2 distance NOE simple 762 parsed_1mnl 1
1 1mnl.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 95 parsed_1mnl 1
1 1mnl.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 59 parsed_1mnl 1
1 1mnl.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1mnl 1
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1mnl
_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 . . 63 . c . 64 . n . 64 . ca . 64 . c parsed_1mnl 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 57 . c . 58 . n . 58 . ca . 58 . c parsed_1mnl 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 71 . c . 72 . n . 72 . ca . 72 . c parsed_1mnl 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 41 . c . 42 . n . 42 . ca . 42 . c parsed_1mnl 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 55 . c . 56 . n . 56 . ca . 56 . c parsed_1mnl 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 87 . c . 88 . n . 88 . ca . 88 . c parsed_1mnl 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 62 . c . 63 . n . 63 . ca . 63 . c parsed_1mnl 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 73 . c . 74 . n . 74 . ca . 74 . c parsed_1mnl 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 58 . c . 59 . n . 59 . ca . 59 . c parsed_1mnl 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 72 . c . 73 . n . 73 . ca . 73 . c parsed_1mnl 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -10.0 . . 24 . c . 25 . n . 25 . ca . 25 . c parsed_1mnl 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 27 . c . 28 . n . 28 . ca . 28 . c parsed_1mnl 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -10.0 . . 23 . c . 24 . n . 24 . ca . 24 . c parsed_1mnl 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -10.0 . . 25 . c . 26 . n . 26 . ca . 26 . c parsed_1mnl 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -10.0 . . 16 . c . 17 . n . 17 . ca . 17 . c parsed_1mnl 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -10.0 . . 11 . c . 12 . n . 12 . ca . 12 . c parsed_1mnl 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -10.0 . . 15 . c . 16 . n . 16 . ca . 16 . c parsed_1mnl 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -10.0 . . 19 . c . 20 . n . 20 . ca . 20 . c parsed_1mnl 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 59 . c . 60 . n . 60 . ca . 60 . c parsed_1mnl 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 36 . c . 37 . n . 37 . ca . 37 . c parsed_1mnl 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 74 . c . 75 . n . 75 . ca . 75 . c parsed_1mnl 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 44 . c . 45 . n . 45 . ca . 45 . c parsed_1mnl 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 47 . c . 48 . n . 48 . ca . 48 . c parsed_1mnl 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -10.0 . . 20 . c . 21 . n . 21 . ca . 21 . c parsed_1mnl 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 66 . c . 67 . n . 67 . ca . 67 . c parsed_1mnl 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 50 . c . 51 . n . 51 . ca . 51 . c parsed_1mnl 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -10.0 . . 67 . c . 68 . n . 68 . ca . 68 . c parsed_1mnl 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -10.0 . . 13 . c . 14 . n . 14 . ca . 14 . c parsed_1mnl 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -10.0 . . 21 . c . 22 . n . 22 . ca . 22 . c parsed_1mnl 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 52 . c . 53 . n . 53 . ca . 53 . c parsed_1mnl 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 61 . c . 62 . n . 62 . ca . 62 . c parsed_1mnl 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 86 . c . 87 . n . 87 . ca . 87 . c parsed_1mnl 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 31 . c . 32 . n . 32 . ca . 32 . c parsed_1mnl 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 43 . c . 44 . n . 44 . ca . 44 . c parsed_1mnl 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 84 . c . 85 . n . 85 . ca . 85 . c parsed_1mnl 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 35 . c . 36 . n . 36 . ca . 36 . c parsed_1mnl 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 85 . c . 86 . n . 86 . ca . 86 . c parsed_1mnl 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 90 . c . 91 . n . 91 . ca . 91 . c parsed_1mnl 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 51 . c . 52 . n . 52 . ca . 52 . c parsed_1mnl 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 52 . c . 53 . n . 53 . ca . 53 . c parsed_1mnl 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -10.0 . . 17 . c . 18 . n . 18 . ca . 18 . c parsed_1mnl 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -10.0 . . 18 . c . 19 . n . 19 . ca . 19 . c parsed_1mnl 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 37 . c . 38 . n . 38 . ca . 38 . c parsed_1mnl 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 46 . c . 47 . n . 47 . ca . 47 . c parsed_1mnl 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 83 . c . 84 . n . 84 . ca . 84 . c parsed_1mnl 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 4 . c . 5 . n . 5 . ca . 5 . c parsed_1mnl 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 60 . c . 61 . n . 61 . ca . 61 . c parsed_1mnl 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 28 . c . 29 . n . 29 . ca . 29 . c parsed_1mnl 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 82 . c . 83 . n . 83 . ca . 83 . c parsed_1mnl 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 69 . c . 70 . n . 70 . ca . 70 . c parsed_1mnl 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 45 . c . 46 . n . 46 . ca . 46 . c parsed_1mnl 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 34 . c . 35 . n . 35 . ca . 35 . c parsed_1mnl 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 81 . c . 82 . n . 82 . ca . 82 . c parsed_1mnl 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 78 . c . 79 . n . 79 . ca . 79 . c parsed_1mnl 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -10.0 . . 14 . c . 15 . n . 15 . ca . 15 . c parsed_1mnl 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -10.0 . . 10 . c . 11 . n . 11 . ca . 11 . c parsed_1mnl 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -10.0 . . 12 . c . 13 . n . 13 . ca . 13 . c parsed_1mnl 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -10.0 . . 22 . c . 23 . n . 23 . ca . 23 . c parsed_1mnl 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -10.0 . . 23 . c . 24 . n . 24 . ca . 24 . c parsed_1mnl 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 "remarks dihedral angle constraints of single-chain monellin" 1 1 1 81 parsed_1mnl 1
stop_
save_
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