NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
40979 |
1wh1   |
11201 | cing | 2-parsed | STAR | dihedral angle | 67 |
data_1wh1_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1wh1
_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_1wh1 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1wh1
_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 1wh1 "Master copy" parsed_1wh1
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1wh1
_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 1wh1.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1wh1 1
1 1wh1.mr . . DYANA/DIANA 2 "dihedral angle" "Not applicable" "Not applicable" 67 parsed_1wh1 1
1 1wh1.mr . . DYANA/DIANA 3 distance "hydrogen bond" simple 0 parsed_1wh1 1
1 1wh1.mr . . DYANA/DIANA 4 distance NOE simple 0 parsed_1wh1 1
1 1wh1.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1wh1 1
stop_
save_
save_DYANA/DIANA_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1wh1
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 2
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -133.2 -73.2 . . 18 LEU . . . . . . . . . . . . . parsed_1wh1 1
2 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.8 166.8 . . 18 LEU . . . . . . . . . . . . . parsed_1wh1 1
3 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -133.6 -73.6 . . 19 GLU- . . . . . . . . . . . . . parsed_1wh1 1
4 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 98.0 158.0 . . 19 GLU- . . . . . . . . . . . . . parsed_1wh1 1
5 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.5 -90.5 . . 20 LEU . . . . . . . . . . . . . parsed_1wh1 1
6 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.5 176.5 . . 20 LEU . . . . . . . . . . . . . parsed_1wh1 1
7 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -152.7 -92.7 . . 21 GLU- . . . . . . . . . . . . . parsed_1wh1 1
8 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 101.7 161.7 . . 21 GLU- . . . . . . . . . . . . . parsed_1wh1 1
9 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -117.0 -57.0 . . 22 GLU- . . . . . . . . . . . . . parsed_1wh1 1
10 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.5 150.5 . . 22 GLU- . . . . . . . . . . . . . parsed_1wh1 1
11 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -138.0 -78.0 . . 23 VAL . . . . . . . . . . . . . parsed_1wh1 1
12 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 98.3 158.3 . . 23 VAL . . . . . . . . . . . . . parsed_1wh1 1
13 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -138.2 -78.2 . . 24 ASP- . . . . . . . . . . . . . parsed_1wh1 1
14 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.9 167.9 . . 24 ASP- . . . . . . . . . . . . . parsed_1wh1 1
15 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -157.1 -97.1 . . 25 LEU . . . . . . . . . . . . . parsed_1wh1 1
16 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.3 177.3 . . 25 LEU . . . . . . . . . . . . . parsed_1wh1 1
17 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103.5 163.5 . . 26 TYR . . . . . . . . . . . . . parsed_1wh1 1
18 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.7 -80.7 . . 33 LYS+ . . . . . . . . . . . . . parsed_1wh1 1
19 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.1 170.1 . . 33 LYS+ . . . . . . . . . . . . . parsed_1wh1 1
20 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -142.3 -82.3 . . 36 LEU . . . . . . . . . . . . . parsed_1wh1 1
21 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 99.6 159.6 . . 36 LEU . . . . . . . . . . . . . parsed_1wh1 1
22 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -138.5 -78.5 . . 37 THR . . . . . . . . . . . . . parsed_1wh1 1
23 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 97.8 157.8 . . 37 THR . . . . . . . . . . . . . parsed_1wh1 1
24 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.4 -95.4 . . 38 VAL . . . . . . . . . . . . . parsed_1wh1 1
25 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 123.9 183.9 . . 38 VAL . . . . . . . . . . . . . parsed_1wh1 1
26 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.6 -95.6 . . 39 CYS . . . . . . . . . . . . . parsed_1wh1 1
27 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111.5 171.5 . . 39 CYS . . . . . . . . . . . . . parsed_1wh1 1
28 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -159.8 -99.8 . . 40 TYR . . . . . . . . . . . . . parsed_1wh1 1
29 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111.5 171.5 . . 40 TYR . . . . . . . . . . . . . parsed_1wh1 1
30 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -132.2 -72.2 . . 50 ILE . . . . . . . . . . . . . parsed_1wh1 1
31 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.6 150.6 . . 50 ILE . . . . . . . . . . . . . parsed_1wh1 1
32 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -154.4 -94.4 . . 51 TYR . . . . . . . . . . . . . parsed_1wh1 1
33 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.0 172.0 . . 51 TYR . . . . . . . . . . . . . parsed_1wh1 1
34 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.6 -80.6 . . 52 ILE . . . . . . . . . . . . . parsed_1wh1 1
35 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.8 160.8 . . 52 ILE . . . . . . . . . . . . . parsed_1wh1 1
36 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -149.4 -89.4 . . 54 GLU- . . . . . . . . . . . . . parsed_1wh1 1
37 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.8 176.8 . . 54 GLU- . . . . . . . . . . . . . parsed_1wh1 1
38 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.3 -80.3 . . 55 ILE . . . . . . . . . . . . . parsed_1wh1 1
39 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 87.8 147.8 . . 55 ILE . . . . . . . . . . . . . parsed_1wh1 1
40 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -166.4 -106.4 . . 75 GLN . . . . . . . . . . . . . parsed_1wh1 1
41 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 129.9 189.9 . . 75 GLN . . . . . . . . . . . . . parsed_1wh1 1
42 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.2 -90.2 . . 76 ILE . . . . . . . . . . . . . parsed_1wh1 1
43 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 98.0 158.0 . . 76 ILE . . . . . . . . . . . . . parsed_1wh1 1
44 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -127.4 -67.4 . . 79 ILE . . . . . . . . . . . . . parsed_1wh1 1
45 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 86.7 146.7 . . 79 ILE . . . . . . . . . . . . . parsed_1wh1 1
46 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.8 -70.8 . . 80 GLU- . . . . . . . . . . . . . parsed_1wh1 1
47 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 102.6 162.6 . . 80 GLU- . . . . . . . . . . . . . parsed_1wh1 1
48 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.7 -35.7 . . 86 GLU- . . . . . . . . . . . . . parsed_1wh1 1
49 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.0 4.0 . . 86 GLU- . . . . . . . . . . . . . parsed_1wh1 1
50 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.5 -32.5 . . 88 VAL . . . . . . . . . . . . . parsed_1wh1 1
51 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.7 -10.7 . . 88 VAL . . . . . . . . . . . . . parsed_1wh1 1
52 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -137.8 -77.8 . . 99 PHE . . . . . . . . . . . . . parsed_1wh1 1
53 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.6 160.6 . . 99 PHE . . . . . . . . . . . . . parsed_1wh1 1
54 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -136.6 -76.6 . . 100 SER . . . . . . . . . . . . . parsed_1wh1 1
55 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.8 149.8 . . 100 SER . . . . . . . . . . . . . parsed_1wh1 1
56 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.6 -86.6 . . 101 LEU . . . . . . . . . . . . . parsed_1wh1 1
57 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.4 170.4 . . 101 LEU . . . . . . . . . . . . . parsed_1wh1 1
58 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -137.4 -77.4 . . 102 LEU . . . . . . . . . . . . . parsed_1wh1 1
59 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 96.1 156.1 . . 102 LEU . . . . . . . . . . . . . parsed_1wh1 1
60 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.2 -86.2 . . 103 ILE . . . . . . . . . . . . . parsed_1wh1 1
61 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111.1 171.1 . . 103 ILE . . . . . . . . . . . . . parsed_1wh1 1
62 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.8 -90.8 . . 104 ALA . . . . . . . . . . . . . parsed_1wh1 1
63 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111.7 171.7 . . 104 ALA . . . . . . . . . . . . . parsed_1wh1 1
64 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.4 -85.4 . . 105 ARG+ . . . . . . . . . . . . . parsed_1wh1 1
65 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 165.0 . . 105 ARG+ . . . . . . . . . . . . . parsed_1wh1 1
66 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -115.2 -55.2 . . 107 GLU- . . . . . . . . . . . . . parsed_1wh1 1
67 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 96.8 156.8 . . 107 GLU- . . . . . . . . . . . . . parsed_1wh1 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 "47 ASP- PHI -130.3 -70.3" 30 2 30 27 parsed_1wh1 1
2 "47 ASP- PSI 104.2 164.2" 31 2 31 26 parsed_1wh1 1
3 "48 ILE PHI -131.4 -71.4" 32 2 32 27 parsed_1wh1 1
4 "48 ILE PSI 113.7 173.7" 33 2 33 26 parsed_1wh1 1
stop_
save_
Contact the webmaster for help, if required. Saturday, May 18, 2024 8:03:13 AM GMT (wattos1)