NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
54433 |
2yux   |
cing | 2-parsed | STAR | dihedral angle | 50 |
data_2yux_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2yux
_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_2yux 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2yux
_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 2yux "Master copy" parsed_2yux
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2yux
_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 2yux.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2yux 1
1 2yux.mr . . DYANA/DIANA 2 distance NOE simple 1417 parsed_2yux 1
1 2yux.mr . . DYANA/DIANA 3 "dihedral angle" "Not applicable" "Not applicable" 50 parsed_2yux 1
1 2yux.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2yux 1
stop_
save_
save_DYANA/DIANA_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2yux
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 3
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.9 -86.9 . . 24 VAL . . . . . . . . . . . . . parsed_2yux 1
2 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.9 168.9 . . 24 VAL . . . . . . . . . . . . . parsed_2yux 1
3 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -157.7 -97.7 . . 25 LYS+ . . . . . . . . . . . . . parsed_2yux 1
4 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 124.3 184.3 . . 25 LYS+ . . . . . . . . . . . . . parsed_2yux 1
5 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -147.0 -87.0 . . 29 VAL . . . . . . . . . . . . . parsed_2yux 1
6 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 123.0 183.0 . . 29 VAL . . . . . . . . . . . . . parsed_2yux 1
7 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -138.0 -78.0 . . 30 TRP . . . . . . . . . . . . . parsed_2yux 1
8 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.0 168.0 . . 30 TRP . . . . . . . . . . . . . parsed_2yux 1
9 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -159.2 -99.2 . . 33 ASN . . . . . . . . . . . . . parsed_2yux 1
10 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 123.9 183.9 . . 33 ASN . . . . . . . . . . . . . parsed_2yux 1
11 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -152.2 -92.2 . . 34 VAL . . . . . . . . . . . . . parsed_2yux 1
12 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 124.8 184.8 . . 34 VAL . . . . . . . . . . . . . parsed_2yux 1
13 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -154.9 -95.0 . . 35 ALA . . . . . . . . . . . . . parsed_2yux 1
14 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103.2 163.2 . . 35 ALA . . . . . . . . . . . . . parsed_2yux 1
15 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -152.2 -92.2 . . 36 LEU . . . . . . . . . . . . . parsed_2yux 1
16 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 118.7 178.7 . . 36 LEU . . . . . . . . . . . . . parsed_2yux 1
17 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -149.3 -89.3 . . 37 THR . . . . . . . . . . . . . parsed_2yux 1
18 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.9 166.9 . . 37 THR . . . . . . . . . . . . . parsed_2yux 1
19 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -161.1 -101.1 . . 38 TRP . . . . . . . . . . . . . parsed_2yux 1
20 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 123.0 183.0 . . 38 TRP . . . . . . . . . . . . . parsed_2yux 1
21 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -166.9 -106.9 . . 54 ILE . . . . . . . . . . . . . parsed_2yux 1
22 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 119.7 179.7 . . 54 ILE . . . . . . . . . . . . . parsed_2yux 1
23 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -163.1 -103.1 . . 55 GLN . . . . . . . . . . . . . parsed_2yux 1
24 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.2 177.2 . . 55 GLN . . . . . . . . . . . . . parsed_2yux 1
25 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.7 -110.7 . . 56 LYS+ . . . . . . . . . . . . . parsed_2yux 1
26 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 123.2 183.2 . . 56 LYS+ . . . . . . . . . . . . . parsed_2yux 1
27 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -157.6 -97.6 . . 57 ALA . . . . . . . . . . . . . parsed_2yux 1
28 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111.9 171.9 . . 57 ALA . . . . . . . . . . . . . parsed_2yux 1
29 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -154.9 -94.9 . . 69 GLU- . . . . . . . . . . . . . parsed_2yux 1
30 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 122.1 182.1 . . 69 GLU- . . . . . . . . . . . . . parsed_2yux 1
31 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -100.0 . . 76 ALA . . . . . . . . . . . . . parsed_2yux 1
32 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103.0 163.0 . . 76 ALA . . . . . . . . . . . . . parsed_2yux 1
33 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.0 -75.0 . . 77 THR . . . . . . . . . . . . . parsed_2yux 1
34 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 102.0 162.0 . . 77 THR . . . . . . . . . . . . . parsed_2yux 1
35 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -149.9 -89.9 . . 86 GLU- . . . . . . . . . . . . . parsed_2yux 1
36 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.8 167.8 . . 86 GLU- . . . . . . . . . . . . . parsed_2yux 1
37 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -154.3 -94.3 . . 87 TYR . . . . . . . . . . . . . parsed_2yux 1
38 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 122.7 182.7 . . 87 TYR . . . . . . . . . . . . . parsed_2yux 1
39 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -169.3 -109.3 . . 88 TYR . . . . . . . . . . . . . parsed_2yux 1
40 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 126.6 186.6 . . 88 TYR . . . . . . . . . . . . . parsed_2yux 1
41 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -163.1 -103.1 . . 89 PHE . . . . . . . . . . . . . parsed_2yux 1
42 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 122.1 182.1 . . 89 PHE . . . . . . . . . . . . . parsed_2yux 1
43 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -161.0 -101.0 . . 90 ARG+ . . . . . . . . . . . . . parsed_2yux 1
44 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 118.8 178.8 . . 90 ARG+ . . . . . . . . . . . . . parsed_2yux 1
45 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -156.6 -96.6 . . 91 VAL . . . . . . . . . . . . . parsed_2yux 1
46 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 102.8 162.8 . . 91 VAL . . . . . . . . . . . . . parsed_2yux 1
47 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -131.3 -71.3 . . 103 ALA . . . . . . . . . . . . . parsed_2yux 1
48 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 96.0 156.0 . . 103 ALA . . . . . . . . . . . . . parsed_2yux 1
49 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -156.0 -96.0 . . 110 ALA . . . . . . . . . . . . . parsed_2yux 1
50 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111.1 171.1 . . 110 ALA . . . . . . . . . . . . . parsed_2yux 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 "16 ASP- PHI -175.9 -115.9" 1 3 1 28 parsed_2yux 1
2 "16 ASP- PSI 131.4 191.4" 2 3 2 26 parsed_2yux 1
3 "18 PRO PHI -102.8 -42.8" 3 3 3 27 parsed_2yux 1
4 "18 PRO PSI 105.1 165.1" 4 3 4 26 parsed_2yux 1
5 "20 PRO PHI -154.7 -94.7" 5 3 5 27 parsed_2yux 1
6 "20 PRO PSI 124.6 184.6" 6 3 6 26 parsed_2yux 1
7 "21 PRO PHI -87.6 -27.6" 7 3 7 26 parsed_2yux 1
8 "21 PRO PSI 111.8 171.8" 8 3 8 26 parsed_2yux 1
9 "23 ILE PHI -179.7 -119.7" 9 3 9 28 parsed_2yux 1
10 "23 ILE PSI 115.1 175.1" 10 3 10 26 parsed_2yux 1
11 "39 THR PHI -164.0 -104.0" 31 3 31 28 parsed_2yux 1
12 "39 THR PSI 102.5 162.5" 32 3 32 26 parsed_2yux 1
13 "53 THR PHI -143.4 -83.4" 33 3 33 27 parsed_2yux 1
14 "53 THR PSI 127.1 187.1" 34 3 34 26 parsed_2yux 1
15 "61 SER PHI -129.8 -69.8" 43 3 43 27 parsed_2yux 1
16 "61 SER PSI -31.3 28.7" 44 3 44 26 parsed_2yux 1
17 "62 MET PHI 28.0 88.0" 45 3 45 26 parsed_2yux 1
18 "62 MET PSI 8.5 68.5" 46 3 46 26 parsed_2yux 1
19 "75 SER PHI -160.0 -100.0" 49 3 49 28 parsed_2yux 1
20 "75 SER PSI 134.0 194.0" 50 3 50 26 parsed_2yux 1
21 "79 THR PHI -133.0 -73.0" 55 3 55 27 parsed_2yux 1
22 "79 THR PSI 127.0 187.0" 56 3 56 26 parsed_2yux 1
23 "85 ASN PHI -148.9 -88.9" 57 3 57 27 parsed_2yux 1
24 "85 ASN PSI 125.2 185.2" 58 3 58 26 parsed_2yux 1
25 "92 PHE PHI -154.2 -94.2" 71 3 71 27 parsed_2yux 1
26 "92 PHE PSI 116.7 176.7" 72 3 72 26 parsed_2yux 1
27 "93 SER PHI -150.5 -90.5" 73 3 73 27 parsed_2yux 1
28 "93 SER PSI 125.6 185.6" 74 3 74 26 parsed_2yux 1
29 "94 GLU- PHI -156.9 -96.9" 75 3 75 27 parsed_2yux 1
30 "94 GLU- PSI 113.4 173.4" 76 3 76 26 parsed_2yux 1
31 "95 ASN PHI -115.3 -55.3" 77 3 77 27 parsed_2yux 1
32 "95 ASN PSI 136.8 196.8" 78 3 78 26 parsed_2yux 1
33 "96 MET PHI -91.4 -31.4" 79 3 79 26 parsed_2yux 1
34 "96 MET PSI -53.3 6.7" 80 3 80 26 parsed_2yux 1
35 "97 CYS PHI -110.4 -50.4" 81 3 81 27 parsed_2yux 1
36 "97 CYS PSI -49.4 10.6" 82 3 82 26 parsed_2yux 1
37 "102 ASP- PHI -150.6 -90.6" 83 2 83 27 parsed_2yux 1
38 "102 ASP- PSI 121.1 181.1" 84 2 84 26 parsed_2yux 1
stop_
save_
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