NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
546218 |
2rsd   |
11469 | cing | 2-parsed | STAR | dihedral angle | 38 |
data_2rsd_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2rsd
_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_2rsd 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2rsd
_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 2rsd "Master copy" parsed_2rsd
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2rsd
_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 2rsd.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2rsd 1
1 2rsd.mr . . DYANA/DIANA 2 distance NOE simple 1839 parsed_2rsd 1
1 2rsd.mr . . DYANA/DIANA 3 distance "hydrogen bond" simple 32 parsed_2rsd 1
1 2rsd.mr . . DYANA/DIANA 4 distance "general distance" simple 17 parsed_2rsd 1
1 2rsd.mr . . DYANA/DIANA 5 distance "hydrogen bond" simple 32 parsed_2rsd 1
1 2rsd.mr . . DYANA/DIANA 6 distance "general distance" simple 17 parsed_2rsd 1
1 2rsd.mr . . DYANA/DIANA 7 "dihedral angle" "Not applicable" "Not applicable" 82 parsed_2rsd 1
1 2rsd.mr . . DYANA/DIANA 8 "dihedral angle" "Not applicable" "Not applicable" 38 parsed_2rsd 1
1 2rsd.mr . . "MR format" 9 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2rsd 1
stop_
save_
save_DYANA/DIANA_dihedral_8
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2rsd
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 8
_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 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.0 230.0 . . 10 LYS . . . . . . . . . . . . . parsed_2rsd 1
2 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 11 VAL . . . . . . . . . . . . . parsed_2rsd 1
3 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 12 ARG . . . . . . . . . . . . . parsed_2rsd 1
4 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 13 CYSS . . . . . . . . . . . . . parsed_2rsd 1
5 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10.0 110.0 . . 14 ILE . . . . . . . . . . . . . parsed_2rsd 1
6 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10.0 110.0 . . 15 CYSS . . . . . . . . . . . . . parsed_2rsd 1
7 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10.0 110.0 . . 16 SER . . . . . . . . . . . . . parsed_2rsd 1
8 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 17 SER . . . . . . . . . . . . . parsed_2rsd 1
9 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.0 230.0 . . 20 VAL . . . . . . . . . . . . . parsed_2rsd 1
10 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10.0 110.0 . . 21 ASN . . . . . . . . . . . . . parsed_2rsd 1
11 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 23 SER . . . . . . . . . . . . . parsed_2rsd 1
12 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 24 MET . . . . . . . . . . . . . parsed_2rsd 1
13 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 25 ILE . . . . . . . . . . . . . parsed_2rsd 1
14 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 26 GLN . . . . . . . . . . . . . parsed_2rsd 1
15 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 27 CYSS . . . . . . . . . . . . . parsed_2rsd 1
16 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 28 GLU . . . . . . . . . . . . . parsed_2rsd 1
17 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 29 ASP . . . . . . . . . . . . . parsed_2rsd 1
18 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 31 ARG . . . . . . . . . . . . . parsed_2rsd 1
19 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 32 CYSS . . . . . . . . . . . . . parsed_2rsd 1
20 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 33 GLN . . . . . . . . . . . . . parsed_2rsd 1
21 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 34 VAL . . . . . . . . . . . . . parsed_2rsd 1
22 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 35 TRP . . . . . . . . . . . . . parsed_2rsd 1
23 CHI2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 140.0 . . 35 TRP . . . . . . . . . . . . . parsed_2rsd 1
24 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 37 HIST . . . . . . . . . . . . . parsed_2rsd 1
25 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 38 LEU . . . . . . . . . . . . . parsed_2rsd 1
26 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 40 CYSS . . . . . . . . . . . . . parsed_2rsd 1
27 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 41 VAL . . . . . . . . . . . . . parsed_2rsd 1
28 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 42 LEU . . . . . . . . . . . . . parsed_2rsd 1
29 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 43 ILE . . . . . . . . . . . . . parsed_2rsd 1
30 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 57 PHE . . . . . . . . . . . . . parsed_2rsd 1
31 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 58 TYR . . . . . . . . . . . . . parsed_2rsd 1
32 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10.0 110.0 . . 59 CYSS . . . . . . . . . . . . . parsed_2rsd 1
33 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10.0 110.0 . . 60 GLU . . . . . . . . . . . . . parsed_2rsd 1
34 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 61 LEU . . . . . . . . . . . . . parsed_2rsd 1
35 CHI2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 61 LEU . . . . . . . . . . . . . parsed_2rsd 1
36 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 62 CYSS . . . . . . . . . . . . . parsed_2rsd 1
37 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 63 ARG . . . . . . . . . . . . . parsed_2rsd 1
38 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 64 LEU . . . . . . . . . . . . . parsed_2rsd 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 "180 t" 2 34 2 40 parsed_2rsd 1
2 "180 t" 3 34 3 40 parsed_2rsd 1
3 "-60 g-" 4 34 4 41 parsed_2rsd 1
4 "180 t" 5 34 5 40 parsed_2rsd 1
5 "60 g+" 6 34 6 41 parsed_2rsd 1
6 "14 ILE CHI2 130.0 230.0 # 180 t" 7 1 7 40 parsed_2rsd 1
7 "60 g+" 8 34 8 41 parsed_2rsd 1
8 "60 g+" 9 34 9 41 parsed_2rsd 1
9 "180 t" 10 34 10 40 parsed_2rsd 1
10 "18 THR CHI1 10.0 110.0 # 60 g+" 11 1 11 41 parsed_2rsd 1
11 "19 MET CHI1" 12 1 12 15 parsed_2rsd 1
12 "180 t" 13 34 13 40 parsed_2rsd 1
13 "60 g+" 14 34 14 41 parsed_2rsd 1
14 "22 ASP CHI1" 15 1 15 15 parsed_2rsd 1
15 "23 SER CHI1 -110.0 -10.0 # -60 g-" 16 1 16 41 parsed_2rsd 1
16 "180 t" 17 34 17 40 parsed_2rsd 1
17 "-60 g-" 18 34 18 41 parsed_2rsd 1
18 "24 MET CHI2 130.0 230.0 # 180 t" 19 1 19 40 parsed_2rsd 1
19 "180 t" 20 34 20 40 parsed_2rsd 1
20 "25 ILE CHI2 130.0 230.0 # 180 t, cannot be used" 21 1 21 56 parsed_2rsd 1
21 "180 t" 22 34 22 40 parsed_2rsd 1
22 "180 t" 23 34 23 40 parsed_2rsd 1
23 "-60 g-" 24 34 24 41 parsed_2rsd 1
24 "180 t" 25 34 25 40 parsed_2rsd 1
25 "30 GLN CHI1" 26 1 26 15 parsed_2rsd 1
26 "-60 g-" 27 34 27 41 parsed_2rsd 1
27 "180 t" 28 34 28 40 parsed_2rsd 1
28 "33 GLN PHI 10.0 110.0 #" 29 1 29 34 parsed_2rsd 1
29 "33 GLN PSI 10.0 110.0 #" 30 1 30 34 parsed_2rsd 1
30 "-60 g-" 31 34 31 41 parsed_2rsd 1
31 "33 GLN CHI2 130.0 230.0 # 180 t" 32 1 32 40 parsed_2rsd 1
32 "-60 g-" 33 34 33 41 parsed_2rsd 1
33 "-60 g-" 34 34 34 41 parsed_2rsd 1
34 90 35 34 35 38 parsed_2rsd 1
35 "36 GLN CHI1" 36 1 36 18 parsed_2rsd 1
36 "-60 g-" 37 34 37 41 parsed_2rsd 1
37 "-60 g-" 38 34 38 41 parsed_2rsd 1
38 "39 ASN CHI1" 39 1 39 18 parsed_2rsd 1
39 "-60 g-" 40 34 40 41 parsed_2rsd 1
40 "-60 g-" 41 34 41 41 parsed_2rsd 1
41 "42 LEU CHI1 130.0 230.0 # 180 t" 42 1 42 40 parsed_2rsd 1
42 "-60 g-" 43 34 43 41 parsed_2rsd 1
43 "-60 g-" 44 34 44 41 parsed_2rsd 1
44 "180 t" 46 34 46 40 parsed_2rsd 1
45 "-60 g-" 47 34 47 41 parsed_2rsd 1
46 "60 g+" 48 34 48 41 parsed_2rsd 1
47 "60 g+" 49 34 49 41 parsed_2rsd 1
48 "-60 g-" 50 34 50 41 parsed_2rsd 1
49 "180 t" 51 34 51 40 parsed_2rsd 1
50 "-60 g-" 52 34 52 41 parsed_2rsd 1
51 "63 ARG CHI1 130.0 230.0 # 180 t" 53 1 53 40 parsed_2rsd 1
52 "-60 g-" 54 34 54 41 parsed_2rsd 1
53 "-60 g-" 55 34 55 41 parsed_2rsd 1
54 "65 SER CHI1" 56 1 56 19 parsed_2rsd 1
stop_
save_
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