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 |
|
|
619754 |
5l1c   |
30149 | cing | 2-parsed | STAR | dihedral angle | 57 |
data_5l1c_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_5l1c
_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_5l1c 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_5l1c
_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 5l1c "Master copy" parsed_5l1c
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_5l1c
_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 5l1c.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5l1c 1
1 5l1c.mr . . DYANA/DIANA 2 distance NOE simple 533 parsed_5l1c 1
1 5l1c.mr . . DYANA/DIANA 3 distance "general distance" simple 24 parsed_5l1c 1
1 5l1c.mr . . DYANA/DIANA 4 "dihedral angle" "Not applicable" "Not applicable" 57 parsed_5l1c 1
1 5l1c.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5l1c 1
stop_
save_
save_DYANA/DIANA_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_5l1c
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.8 -43.8 . . 2 CYSS . . . . . . . . . . . . . parsed_5l1c 1
2 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.0 -11.0 . . 2 CYSS . . . . . . . . . . . . . parsed_5l1c 1
3 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 128.8 168.8 . . 4 PRO . . . . . . . . . . . . . parsed_5l1c 1
4 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.6 -96.6 . . 5 CYSS . . . . . . . . . . . . . parsed_5l1c 1
5 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.6 179.6 . . 5 CYSS . . . . . . . . . . . . . parsed_5l1c 1
6 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.3 -61.2 . . 6 PHE . . . . . . . . . . . . . parsed_5l1c 1
7 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 98.6 169.1 . . 6 PHE . . . . . . . . . . . . . parsed_5l1c 1
8 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.8 -45.8 . . 7 THR . . . . . . . . . . . . . parsed_5l1c 1
9 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.5 2.5 . . 7 THR . . . . . . . . . . . . . parsed_5l1c 1
10 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -112.5 -72.5 . . 8 THR . . . . . . . . . . . . . parsed_5l1c 1
11 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -21.6 22.3 . . 8 THR . . . . . . . . . . . . . parsed_5l1c 1
12 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -112.3 -45.3 . . 9 ASP . . . . . . . . . . . . . parsed_5l1c 1
13 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 101.5 157.3 . . 9 ASP . . . . . . . . . . . . . parsed_5l1c 1
14 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.1 -47.8 . . 10 HIS . . . . . . . . . . . . . parsed_5l1c 1
15 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.0 10.3 . . 10 HIS . . . . . . . . . . . . . parsed_5l1c 1
16 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -121.4 -81.4 . . 11 GLN . . . . . . . . . . . . . parsed_5l1c 1
17 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -13.7 44.5 . . 11 GLN . . . . . . . . . . . . . parsed_5l1c 1
18 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.0 -42.0 . . 12 MET . . . . . . . . . . . . . parsed_5l1c 1
19 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.5 -23.5 . . 12 MET . . . . . . . . . . . . . parsed_5l1c 1
20 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.7 -42.7 . . 13 ALA . . . . . . . . . . . . . parsed_5l1c 1
21 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.6 -20.6 . . 13 ALA . . . . . . . . . . . . . parsed_5l1c 1
22 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.1 -47.1 . . 14 ARG . . . . . . . . . . . . . parsed_5l1c 1
23 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.1 -19.1 . . 14 ARG . . . . . . . . . . . . . parsed_5l1c 1
24 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.1 -45.1 . . 15 LYS . . . . . . . . . . . . . parsed_5l1c 1
25 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.2 -22.2 . . 15 LYS . . . . . . . . . . . . . parsed_5l1c 1
26 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.1 -46.1 . . 16 CYSS . . . . . . . . . . . . . parsed_5l1c 1
27 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.4 -17.4 . . 16 CYSS . . . . . . . . . . . . . parsed_5l1c 1
28 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.3 -44.3 . . 17 ASP . . . . . . . . . . . . . parsed_5l1c 1
29 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.5 -21.5 . . 17 ASP . . . . . . . . . . . . . parsed_5l1c 1
30 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.4 -44.4 . . 18 ASP . . . . . . . . . . . . . parsed_5l1c 1
31 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.0 -21.0 . . 18 ASP . . . . . . . . . . . . . parsed_5l1c 1
32 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.3 -45.3 . . 19 CYSS . . . . . . . . . . . . . parsed_5l1c 1
33 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.8 -11.8 . . 19 CYSS . . . . . . . . . . . . . parsed_5l1c 1
34 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -102.3 -62.3 . . 20 CYSS . . . . . . . . . . . . . parsed_5l1c 1
35 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -26.0 14.0 . . 20 CYSS . . . . . . . . . . . . . parsed_5l1c 1
36 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.6 -36.7 . . 22 GLY . . . . . . . . . . . . . parsed_5l1c 1
37 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 148.1 205.6 . . 22 GLY . . . . . . . . . . . . . parsed_5l1c 1
38 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.0 -42.0 . . 23 LYS . . . . . . . . . . . . . parsed_5l1c 1
39 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.0 156.0 . . 23 LYS . . . . . . . . . . . . . parsed_5l1c 1
40 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 63.5 103.5 . . 24 GLY . . . . . . . . . . . . . parsed_5l1c 1
41 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -19.3 23.3 . . 24 GLY . . . . . . . . . . . . . parsed_5l1c 1
42 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.3 -55.3 . . 25 ARG . . . . . . . . . . . . . parsed_5l1c 1
43 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 119.1 159.1 . . 25 ARG . . . . . . . . . . . . . parsed_5l1c 1
44 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -157.2 -102.8 . . 27 LYS . . . . . . . . . . . . . parsed_5l1c 1
45 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.1 161.1 . . 27 LYS . . . . . . . . . . . . . parsed_5l1c 1
46 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -115.9 -68.4 . . 28 CYSS . . . . . . . . . . . . . parsed_5l1c 1
47 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.1 151.0 . . 28 CYSS . . . . . . . . . . . . . parsed_5l1c 1
48 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -136.5 -77.4 . . 29 TYR . . . . . . . . . . . . . parsed_5l1c 1
49 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 61.9 148.6 . . 29 TYR . . . . . . . . . . . . . parsed_5l1c 1
50 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -157.7 -107.2 . . 32 GLN . . . . . . . . . . . . . parsed_5l1c 1
51 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 118.8 167.5 . . 32 GLN . . . . . . . . . . . . . parsed_5l1c 1
52 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -104.2 -51.5 . . 33 CYSS . . . . . . . . . . . . . parsed_5l1c 1
53 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 104.1 144.1 . . 33 CYSS . . . . . . . . . . . . . parsed_5l1c 1
54 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -132.4 -92.4 . . 34 LEU . . . . . . . . . . . . . parsed_5l1c 1
55 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.4 146.4 . . 34 LEU . . . . . . . . . . . . . parsed_5l1c 1
56 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.7 -65.7 . . 35 CYSS . . . . . . . . . . . . . parsed_5l1c 1
57 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.8 152.0 . . 35 CYSS . . . . . . . . . . . . . parsed_5l1c 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 4: cltx.aco" 1 1 1 29 parsed_5l1c 1
2 "REMARK error margins are set to conservative default values of double the standard deviation" 2 1 2 96 parsed_5l1c 1
3 "observed in TALOS-N capped at a minimum of +/-20 degree." 3 1 3 66 parsed_5l1c 1
4 "Phi/Psi Angles From 'Strong' Predictions" 5 1 5 43 parsed_5l1c 1
5 "4 PRO PHI -87.3 -47.3" 8 1 8 34 parsed_5l1c 1
6 "Phi/Psi Angles From 'Generous' Predictions" 65 1 65 45 parsed_5l1c 1
7 "3 MET PHI -109.4 -47.2" 66 1 66 34 parsed_5l1c 1
8 "3 MET PSI 127.4 167.4" 67 1 67 34 parsed_5l1c 1
stop_
save_
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