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 |
|
|
633900 |
5yz6   |
36142 | cing | 2-parsed | STAR | dihedral angle | 21 |
data_5yz6_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_5yz6
_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_5yz6 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_5yz6
_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 5yz6 "Master copy" parsed_5yz6
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_5yz6
_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 5yz6.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5yz6 1
1 5yz6.mr . . DYANA/DIANA 2 "dihedral angle" "Not applicable" "Not applicable" 21 parsed_5yz6 1
1 5yz6.mr . . DYANA/DIANA 3 distance "general distance" simple 0 parsed_5yz6 1
1 5yz6.mr . . DYANA/DIANA 4 distance "hydrogen bond" simple 0 parsed_5yz6 1
1 5yz6.mr . . DYANA/DIANA 5 distance "general distance" simple 0 parsed_5yz6 1
1 5yz6.mr . . DYANA/DIANA 6 distance "hydrogen bond" simple 0 parsed_5yz6 1
1 5yz6.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5yz6 1
stop_
save_
save_DYANA/DIANA_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_5yz6
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.3 -85.9 . . 21 CYSS . . . . . . . . . . . . . parsed_5yz6 1
2 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 119.1 182.6 . . 21 CYSS . . . . . . . . . . . . . parsed_5yz6 1
3 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -164.7 -109.9 . . 22 THR . . . . . . . . . . . . . parsed_5yz6 1
4 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 139.4 179.4 . . 22 THR . . . . . . . . . . . . . parsed_5yz6 1
5 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -164.7 -86.9 . . 23 TYR . . . . . . . . . . . . . parsed_5yz6 1
6 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 101.7 148.2 . . 23 TYR . . . . . . . . . . . . . parsed_5yz6 1
7 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.7 -69.9 . . 24 THR . . . . . . . . . . . . . parsed_5yz6 1
8 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 96.7 156.1 . . 24 THR . . . . . . . . . . . . . parsed_5yz6 1
9 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -129.4 -78.3 . . 25 ILE . . . . . . . . . . . . . parsed_5yz6 1
10 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.2 -44.2 . . 44 VAL . . . . . . . . . . . . . parsed_5yz6 1
11 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.3 6.9 . . 44 VAL . . . . . . . . . . . . . parsed_5yz6 1
12 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.5 -45.5 . . 45 ILE . . . . . . . . . . . . . parsed_5yz6 1
13 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.3 -6.4 . . 45 ILE . . . . . . . . . . . . . parsed_5yz6 1
14 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -117.8 -47.7 . . 46 GLN . . . . . . . . . . . . . parsed_5yz6 1
15 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42.2 29.1 . . 46 GLN . . . . . . . . . . . . . parsed_5yz6 1
16 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -131.8 -88.9 . . 61 GLN . . . . . . . . . . . . . parsed_5yz6 1
17 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 97.0 137.0 . . 61 GLN . . . . . . . . . . . . . parsed_5yz6 1
18 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -131.1 -68.9 . . 62 VAL . . . . . . . . . . . . . parsed_5yz6 1
19 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 94.9 163.3 . . 62 VAL . . . . . . . . . . . . . parsed_5yz6 1
20 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -173.2 -112.0 . . 63 ILE . . . . . . . . . . . . . parsed_5yz6 1
21 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 142.2 182.2 . . 63 ILE . . . . . . . . . . . . . parsed_5yz6 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 "Restraints file 1: talos.aco" 1 1 1 30 parsed_5yz6 1
2 "25 ILE PSI 95.8 151.1" 11 1 11 34 parsed_5yz6 1
3 "26 GLN PHI -167.5 -40.0" 12 1 12 34 parsed_5yz6 1
4 "26 GLN PSI 55.2 186.0" 13 1 13 34 parsed_5yz6 1
5 "27 PRO PHI -86.9 -45.8" 14 1 14 34 parsed_5yz6 1
6 "27 PRO PSI 121.7 161.7" 15 1 15 34 parsed_5yz6 1
7 "28 GLY PHI -184.4 -64.1" 16 1 16 34 parsed_5yz6 1
8 "28 GLY PSI 106.9 196.1" 17 1 17 34 parsed_5yz6 1
9 "30 THR PHI -181.6 -111.9" 18 1 18 34 parsed_5yz6 1
10 "30 THR PSI 127.3 194.5" 19 1 19 34 parsed_5yz6 1
11 "32 TRP PHI 34.4 74.4" 20 1 20 34 parsed_5yz6 1
12 "32 TRP PSI 21.2 61.2" 21 1 21 34 parsed_5yz6 1
13 "34 ILE PHI -114.1 -68.5" 22 1 22 34 parsed_5yz6 1
14 "34 ILE PSI -17.8 38.1" 23 1 23 34 parsed_5yz6 1
15 "35 ALA PHI 39.2 79.2" 24 1 24 34 parsed_5yz6 1
16 "35 ALA PSI 9.7 49.7" 25 1 25 34 parsed_5yz6 1
17 "36 GLN PHI 10.1 119.3" 26 1 26 34 parsed_5yz6 1
18 "36 GLN PSI -32.4 87.7" 27 1 27 34 parsed_5yz6 1
19 "38 ARG PHI -121.3 -81.3" 28 1 28 34 parsed_5yz6 1
20 "38 ARG PSI -10.7 37.8" 29 1 29 34 parsed_5yz6 1
21 "42 VAL PHI -99.6 -39.5" 30 1 30 34 parsed_5yz6 1
22 "42 VAL PSI -67.5 27.1" 31 1 31 34 parsed_5yz6 1
23 "47 SER PHI 29.5 97.6" 38 1 38 34 parsed_5yz6 1
24 "47 SER PSI 14.4 65.3" 39 1 39 34 parsed_5yz6 1
25 "48 LEU PHI -162.6 -68.0" 40 1 40 34 parsed_5yz6 1
26 "48 LEU PSI 118.7 187.0" 41 1 41 34 parsed_5yz6 1
27 "49 ASN PHI -148.7 -56.6" 42 1 42 34 parsed_5yz6 1
28 "49 ASN PSI 111.1 167.0" 43 1 43 34 parsed_5yz6 1
29 "50 PRO PHI -88.2 -42.0" 44 1 44 34 parsed_5yz6 1
30 "50 PRO PSI 125.8 165.8" 45 1 45 34 parsed_5yz6 1
31 "52 VAL PHI -130.3 -75.6" 46 1 46 34 parsed_5yz6 1
32 "52 VAL PSI 100.5 140.5" 47 1 47 34 parsed_5yz6 1
33 "53 VAL PHI -142.8 -37.8" 48 1 48 34 parsed_5yz6 1
34 "53 VAL PSI 79.1 182.4" 49 1 49 34 parsed_5yz6 1
35 "54 PRO PHI -79.9 -39.3" 50 1 50 34 parsed_5yz6 1
36 "54 PRO PSI -43.5 -3.5" 51 1 51 34 parsed_5yz6 1
37 "55 THR PHI -124.7 -74.1" 52 1 52 34 parsed_5yz6 1
38 "55 THR PSI -23.7 38.5" 53 1 53 34 parsed_5yz6 1
39 "58 GLN PHI -163.4 -75.9" 54 1 54 34 parsed_5yz6 1
40 "58 GLN PSI 114.2 166.5" 55 1 55 34 parsed_5yz6 1
41 "66 PRO PHI -90.2 -50.2" 62 1 62 34 parsed_5yz6 1
42 "66 PRO PSI 125.6 166.5" 63 1 63 34 parsed_5yz6 1
stop_
save_
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