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 |
|
|
616007 |
5vfw   |
30281 | cing | 2-parsed | STAR | dihedral angle | 37 |
data_5vfw_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_5vfw
_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_5vfw 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_5vfw
_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 5vfw "Master copy" parsed_5vfw
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_5vfw
_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 5vfw.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5vfw 1
1 5vfw.mr . . DYANA/DIANA 2 distance NOE simple 272 parsed_5vfw 1
1 5vfw.mr . . DYANA/DIANA 3 "dihedral angle" "Not applicable" "Not applicable" 37 parsed_5vfw 1
1 5vfw.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5vfw 1
stop_
save_
save_DYANA/DIANA_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_5vfw
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -114.5 -74.5 . . 2 MET . . . . . . . . . . . . . parsed_5vfw 1
2 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.0 157.4 . . 2 MET . . . . . . . . . . . . . parsed_5vfw 1
3 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.7 -52.7 . . 3 VAL . . . . . . . . . . . . . parsed_5vfw 1
4 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.6 153.6 . . 3 VAL . . . . . . . . . . . . . parsed_5vfw 1
5 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -45.0 . . 5 GLU . . . . . . . . . . . . . parsed_5vfw 1
6 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.8 -10.8 . . 5 GLU . . . . . . . . . . . . . parsed_5vfw 1
7 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.5 -46.5 . . 6 PHE . . . . . . . . . . . . . parsed_5vfw 1
8 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.3 -20.3 . . 6 PHE . . . . . . . . . . . . . parsed_5vfw 1
9 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.8 -48.8 . . 7 LEU . . . . . . . . . . . . . parsed_5vfw 1
10 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.9 -11.9 . . 7 LEU . . . . . . . . . . . . . parsed_5vfw 1
11 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.3 -49.3 . . 8 LYS . . . . . . . . . . . . . parsed_5vfw 1
12 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -43.6 -3.6 . . 8 LYS . . . . . . . . . . . . . parsed_5vfw 1
13 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180 -20 . . 11 TRP . . . . . . . . . . . . . parsed_5vfw 1
14 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.5 -74.0 . . 12 PHE . . . . . . . . . . . . . parsed_5vfw 1
15 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111.6 158.8 . . 12 PHE . . . . . . . . . . . . . parsed_5vfw 1
16 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -131.7 -70.1 . . 13 ILE . . . . . . . . . . . . . parsed_5vfw 1
17 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.6 154.0 . . 13 ILE . . . . . . . . . . . . . parsed_5vfw 1
18 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.0 -49.1 . . 14 GLU . . . . . . . . . . . . . parsed_5vfw 1
19 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 104.5 168.3 . . 14 GLU . . . . . . . . . . . . . parsed_5vfw 1
20 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.3 -48.2 . . 16 GLU . . . . . . . . . . . . . parsed_5vfw 1
21 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.9 1.6 . . 16 GLU . . . . . . . . . . . . . parsed_5vfw 1
22 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -115.3 -71.4 . . 17 GLU . . . . . . . . . . . . . parsed_5vfw 1
23 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -32.0 35.3 . . 17 GLU . . . . . . . . . . . . . parsed_5vfw 1
24 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -131.2 -56.0 . . 18 GLN . . . . . . . . . . . . . parsed_5vfw 1
25 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.8 167.8 . . 18 GLN . . . . . . . . . . . . . parsed_5vfw 1
26 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.2 -56.2 . . 19 GLU . . . . . . . . . . . . . parsed_5vfw 1
27 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114.6 170.4 . . 19 GLU . . . . . . . . . . . . . parsed_5vfw 1
28 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -177.7 -87.3 . . 20 TYR . . . . . . . . . . . . . parsed_5vfw 1
29 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 118.8 183.1 . . 20 TYR . . . . . . . . . . . . . parsed_5vfw 1
30 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -119.8 -78.5 . . 21 VAL . . . . . . . . . . . . . parsed_5vfw 1
31 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.7 149.7 . . 21 VAL . . . . . . . . . . . . . parsed_5vfw 1
32 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -103.3 -61.6 . . 22 GLN . . . . . . . . . . . . . parsed_5vfw 1
33 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.1 147.1 . . 22 GLN . . . . . . . . . . . . . parsed_5vfw 1
34 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -114.7 -63.3 . . 23 THR . . . . . . . . . . . . . parsed_5vfw 1
35 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 87.7 150.1 . . 23 THR . . . . . . . . . . . . . parsed_5vfw 1
36 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180 -20 . . 15 ASN . . . . . . . . . . . . . parsed_5vfw 1
37 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180 -20 . . 24 VAL . . . . . . . . . . . . . parsed_5vfw 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: ac2_26.aco" 1 1 1 31 parsed_5vfw 1
2 "Phi/Psi Angles From 'Strong' TALOS-N Predictions:" 3 1 3 52 parsed_5vfw 1
3 "error margins are set to conservative default values of double the" 4 1 4 72 parsed_5vfw 1
4 "standard deviation observed in TALOS-N capped at a minimum of +/-20 degree." 5 1 5 80 parsed_5vfw 1
5 "9 GLN PHI -99.1 -59.1" 18 1 18 34 parsed_5vfw 1
6 "9 GLN PSI -34.2 8.4" 19 1 19 34 parsed_5vfw 1
7 "Phi/Psi Angles From 'Generous' TALOS-N Predictions:" 44 1 44 54 parsed_5vfw 1
8 "error margins are set to default values of triple the standard" 45 1 45 67 parsed_5vfw 1
9 "deviation observed in TALOS-N capped at a minimum of +/-30 degree." 46 1 46 71 parsed_5vfw 1
10 "4 SER PHI -118.4 -46.4" 49 1 49 23 parsed_5vfw 1
11 "4 SER PSI 61.7 182.5" 50 1 50 21 parsed_5vfw 1
stop_
save_
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