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 |
|
|
635320 |
6e1l   |
30232 | cing | 2-parsed | STAR | dihedral angle | 35 |
data_6e1l_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6e1l
_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_6e1l 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6e1l
_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 6e1l "Master copy" parsed_6e1l
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6e1l
_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 6e1l.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6e1l 1
1 6e1l.mr . . DYANA/DIANA 2 distance "hydrogen bond" simple 14 parsed_6e1l 1
1 6e1l.mr . . DYANA/DIANA 3 "dihedral angle" "Not applicable" "Not applicable" 35 parsed_6e1l 1
1 6e1l.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6e1l 1
stop_
save_
save_DYANA/DIANA_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_6e1l
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79.9 -39.9 . . 2 ALA . . . . . . . . . . . . . parsed_6e1l 1
2 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.8 -12.8 . . 2 ALA . . . . . . . . . . . . . parsed_6e1l 1
3 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.1 -44.1 . . 3 ASP . . . . . . . . . . . . . parsed_6e1l 1
4 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.3 -17.3 . . 3 ASP . . . . . . . . . . . . . parsed_6e1l 1
5 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.6 -47.6 . . 4 ALA . . . . . . . . . . . . . parsed_6e1l 1
6 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 -20.0 . . 4 ALA . . . . . . . . . . . . . parsed_6e1l 1
7 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.5 -45.5 . . 5 VAL . . . . . . . . . . . . . parsed_6e1l 1
8 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.4 -20.4 . . 5 VAL . . . . . . . . . . . . . parsed_6e1l 1
9 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.5 -45.5 . . 6 TYR . . . . . . . . . . . . . parsed_6e1l 1
10 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.7 -22.7 . . 6 TYR . . . . . . . . . . . . . parsed_6e1l 1
11 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.0 -46.0 . . 7 THR . . . . . . . . . . . . . parsed_6e1l 1
12 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.4 -17.4 . . 7 THR . . . . . . . . . . . . . parsed_6e1l 1
13 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.3 -46.3 . . 8 CYSS . . . . . . . . . . . . . parsed_6e1l 1
14 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.0 -17.0 . . 8 CYSS . . . . . . . . . . . . . parsed_6e1l 1
15 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.4 -51.4 . . 9 ARG . . . . . . . . . . . . . parsed_6e1l 1
16 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.1 -19.1 . . 9 ARG . . . . . . . . . . . . . parsed_6e1l 1
17 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.6 -55.6 . . 10 ALA . . . . . . . . . . . . . parsed_6e1l 1
18 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.9 -12.9 . . 10 ALA . . . . . . . . . . . . . parsed_6e1l 1
19 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.7 -114.4 . . 12 GLN . . . . . . . . . . . . . parsed_6e1l 1
20 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 134.9 174.9 . . 12 GLN . . . . . . . . . . . . . parsed_6e1l 1
21 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -168.1 -115.7 . . 13 THR . . . . . . . . . . . . . parsed_6e1l 1
22 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.9 166.2 . . 13 THR . . . . . . . . . . . . . parsed_6e1l 1
23 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.9 -54.6 . . 14 CYSS . . . . . . . . . . . . . parsed_6e1l 1
24 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.6 163.8 . . 14 CYSS . . . . . . . . . . . . . parsed_6e1l 1
25 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -192.7 -68.4 . . 15 CYSS . . . . . . . . . . . . . parsed_6e1l 1
26 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 127.4 176.3 . . 15 CYSS . . . . . . . . . . . . . parsed_6e1l 1
27 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.6 -41.6 . . 17 GLY . . . . . . . . . . . . . parsed_6e1l 1
28 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.2 -47.2 . . 18 LEU . . . . . . . . . . . . . parsed_6e1l 1
29 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.4 -22.4 . . 18 LEU . . . . . . . . . . . . . parsed_6e1l 1
30 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.4 -44.4 . . 19 HIS . . . . . . . . . . . . . parsed_6e1l 1
31 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.5 -17.5 . . 19 HIS . . . . . . . . . . . . . parsed_6e1l 1
32 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.8 -10.8 . . 20 GLY . . . . . . . . . . . . . parsed_6e1l 1
33 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.3 -81.1 . . 21 TYR . . . . . . . . . . . . . parsed_6e1l 1
34 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -111.3 -48.5 . . 23 CYSS . . . . . . . . . . . . . parsed_6e1l 1
35 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.2 167.1 . . 23 CYSS . . . . . . . . . . . . . parsed_6e1l 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 2: GRN3ALA.aco" 1 1 1 32 parsed_6e1l 1
2 "Phi/Psi Angles From 'Strong' TALOS-N Predictions:" 3 1 3 52 parsed_6e1l 1
3 "error margins are set to conservative default values of double the" 4 1 4 72 parsed_6e1l 1
4 "standard deviation observed in TALOS-N capped at a minimum of +/-20 degree." 5 1 5 80 parsed_6e1l 1
5 "Phi/Psi Angles From 'Generous' TALOS-N Predictions:" 42 1 42 54 parsed_6e1l 1
6 "error margins are set to default values of triple the standard" 43 1 43 67 parsed_6e1l 1
7 "deviation observed in TALOS-N capped at a minimum of +/-30 degree." 44 1 44 71 parsed_6e1l 1
stop_
save_
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