NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | item_count |
|
|
34164 |
1jh3   |
5070 | cing | recoord | 2-parsed | STAR | dihedral angle | 71 |
data_1jh3_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1jh3
_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_1jh3 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1jh3
_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 1jh3 "Master copy" parsed_1jh3
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1jh3
_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 1jh3.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1jh3 1
1 1jh3.mr . . DYANA/DIANA 2 distance NOE simple 1352 parsed_1jh3 1
1 1jh3.mr . . DYANA/DIANA 3 distance "hydrogen bond" simple 66 parsed_1jh3 1
1 1jh3.mr . . DYANA/DIANA 4 "dihedral angle" "Not applicable" "Not applicable" 71 parsed_1jh3 1
1 1jh3.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1jh3 1
stop_
save_
save_DYANA/DIANA_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1jh3
_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 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 6 ASP- . . . . . . . . . . . . . parsed_1jh3 1
2 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 7 ILE . . . . . . . . . . . . . parsed_1jh3 1
3 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 8 ALA . . . . . . . . . . . . . parsed_1jh3 1
4 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 9 ASN . . . . . . . . . . . . . parsed_1jh3 1
5 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 11 THR . . . . . . . . . . . . . parsed_1jh3 1
6 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 12 ALA . . . . . . . . . . . . . parsed_1jh3 1
7 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 13 ALA . . . . . . . . . . . . . parsed_1jh3 1
8 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 14 GLU- . . . . . . . . . . . . . parsed_1jh3 1
9 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 15 ILE . . . . . . . . . . . . . parsed_1jh3 1
10 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 16 GLU- . . . . . . . . . . . . . parsed_1jh3 1
11 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 17 GLN . . . . . . . . . . . . . parsed_1jh3 1
12 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 19 PHE . . . . . . . . . . . . . parsed_1jh3 1
13 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 20 LYS+ . . . . . . . . . . . . . parsed_1jh3 1
14 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 21 ASP- . . . . . . . . . . . . . parsed_1jh3 1
15 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 22 VAL . . . . . . . . . . . . . parsed_1jh3 1
16 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 24 SER . . . . . . . . . . . . . parsed_1jh3 1
17 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 25 PHE . . . . . . . . . . . . . parsed_1jh3 1
18 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 26 VAL . . . . . . . . . . . . . parsed_1jh3 1
19 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 27 HIS . . . . . . . . . . . . . parsed_1jh3 1
20 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 28 GLU- . . . . . . . . . . . . . parsed_1jh3 1
21 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 31 ASP- . . . . . . . . . . . . . parsed_1jh3 1
22 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 32 VAL . . . . . . . . . . . . . parsed_1jh3 1
23 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 34 LEU . . . . . . . . . . . . . parsed_1jh3 1
24 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 35 VAL . . . . . . . . . . . . . parsed_1jh3 1
25 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 37 LEU . . . . . . . . . . . . . parsed_1jh3 1
26 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 38 LEU . . . . . . . . . . . . . parsed_1jh3 1
27 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 40 SER . . . . . . . . . . . . . parsed_1jh3 1
28 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 41 ALA . . . . . . . . . . . . . parsed_1jh3 1
29 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 43 ILE . . . . . . . . . . . . . parsed_1jh3 1
30 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 44 SER . . . . . . . . . . . . . parsed_1jh3 1
31 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 46 SER . . . . . . . . . . . . . parsed_1jh3 1
32 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 49 GLN . . . . . . . . . . . . . parsed_1jh3 1
33 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 50 ALA . . . . . . . . . . . . . parsed_1jh3 1
34 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 51 ARG+ . . . . . . . . . . . . . parsed_1jh3 1
35 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 52 GLU- . . . . . . . . . . . . . parsed_1jh3 1
36 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 53 ASP- . . . . . . . . . . . . . parsed_1jh3 1
37 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 55 GLN . . . . . . . . . . . . . parsed_1jh3 1
38 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 58 ALA . . . . . . . . . . . . . parsed_1jh3 1
39 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 59 ILE . . . . . . . . . . . . . parsed_1jh3 1
40 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 60 TYR . . . . . . . . . . . . . parsed_1jh3 1
41 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 61 VAL . . . . . . . . . . . . . parsed_1jh3 1
42 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 64 GLU- . . . . . . . . . . . . . parsed_1jh3 1
43 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 66 LEU . . . . . . . . . . . . . parsed_1jh3 1
44 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 67 GLN . . . . . . . . . . . . . parsed_1jh3 1
45 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 68 ASP- . . . . . . . . . . . . . parsed_1jh3 1
46 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 71 ALA . . . . . . . . . . . . . parsed_1jh3 1
47 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 72 ILE . . . . . . . . . . . . . parsed_1jh3 1
48 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 73 LEU . . . . . . . . . . . . . parsed_1jh3 1
49 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 74 THR . . . . . . . . . . . . . parsed_1jh3 1
50 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 75 ALA . . . . . . . . . . . . . parsed_1jh3 1
51 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 76 GLU- . . . . . . . . . . . . . parsed_1jh3 1
52 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 77 HIS . . . . . . . . . . . . . parsed_1jh3 1
53 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 78 ARG+ . . . . . . . . . . . . . parsed_1jh3 1
54 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 79 LEU . . . . . . . . . . . . . parsed_1jh3 1
55 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 82 ARG+ . . . . . . . . . . . . . parsed_1jh3 1
56 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 83 PHE . . . . . . . . . . . . . parsed_1jh3 1
57 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 84 THR . . . . . . . . . . . . . parsed_1jh3 1
58 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 85 VAL . . . . . . . . . . . . . parsed_1jh3 1
59 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 86 ILE . . . . . . . . . . . . . parsed_1jh3 1
60 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 87 ARG+ . . . . . . . . . . . . . parsed_1jh3 1
61 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 88 ARG+ . . . . . . . . . . . . . parsed_1jh3 1
62 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 92 LYS+ . . . . . . . . . . . . . parsed_1jh3 1
63 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 93 TYR . . . . . . . . . . . . . parsed_1jh3 1
64 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 94 TYR . . . . . . . . . . . . . parsed_1jh3 1
65 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 95 LEU . . . . . . . . . . . . . parsed_1jh3 1
66 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 96 ILE . . . . . . . . . . . . . parsed_1jh3 1
67 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 97 ARG+ . . . . . . . . . . . . . parsed_1jh3 1
68 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 98 TYR . . . . . . . . . . . . . parsed_1jh3 1
69 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -40.0 . . 99 ALA . . . . . . . . . . . . . parsed_1jh3 1
70 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -40.0 . . 100 LEU . . . . . . . . . . . . . parsed_1jh3 1
71 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -40.0 . . 101 GLU- . . . . . . . . . . . . . parsed_1jh3 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 (phi) constraints as in DYANA .aco file:" 1 1 1 57 parsed_1jh3 1
stop_
save_
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