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 |
|
|
624328 |
5ujg   |
30232 | cing | 2-parsed | STAR | dihedral angle | 35 |
data_5ujg_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_5ujg
_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_5ujg 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_5ujg
_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 5ujg "Master copy" parsed_5ujg
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_5ujg
_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 5ujg.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5ujg 1
1 5ujg.mr . . DYANA/DIANA 2 distance "hydrogen bond" simple 8 parsed_5ujg 1
1 5ujg.mr . . DYANA/DIANA 3 distance NOE simple 108 parsed_5ujg 1
1 5ujg.mr . . DYANA/DIANA 4 "dihedral angle" "Not applicable" "Not applicable" 35 parsed_5ujg 1
1 5ujg.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5ujg 1
stop_
save_
save_DYANA/DIANA_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_5ujg
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -101.5 -55.3 . . 5 VAL . . . . . . . . . . . . . parsed_5ujg 1
2 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.2 150.2 . . 5 VAL . . . . . . . . . . . . . parsed_5ujg 1
3 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.1 -71.4 . . 6 TYR . . . . . . . . . . . . . parsed_5ujg 1
4 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 98.1 163.9 . . 6 TYR . . . . . . . . . . . . . parsed_5ujg 1
5 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.8 -61.0 . . 9 ARG . . . . . . . . . . . . . parsed_5ujg 1
6 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.6 170.4 . . 9 ARG . . . . . . . . . . . . . parsed_5ujg 1
7 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -104.6 -64.6 . . 12 GLN . . . . . . . . . . . . . parsed_5ujg 1
8 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.0 152.0 . . 12 GLN . . . . . . . . . . . . . parsed_5ujg 1
9 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -129.3 -81.5 . . 13 THR . . . . . . . . . . . . . parsed_5ujg 1
10 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 104.7 144.7 . . 13 THR . . . . . . . . . . . . . parsed_5ujg 1
11 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -142.7 -79.3 . . 14 CYSS . . . . . . . . . . . . . parsed_5ujg 1
12 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114.2 159.4 . . 14 CYSS . . . . . . . . . . . . . parsed_5ujg 1
13 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -108.2 -51.4 . . 18 LEU . . . . . . . . . . . . . parsed_5ujg 1
14 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.6 164.5 . . 18 LEU . . . . . . . . . . . . . parsed_5ujg 1
15 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -200.9 -84.2 . . 20 GLY . . . . . . . . . . . . . parsed_5ujg 1
16 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 138.5 187.8 . . 20 GLY . . . . . . . . . . . . . parsed_5ujg 1
17 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -151.0 -111.0 . . 22 GLY . . . . . . . . . . . . . parsed_5ujg 1
18 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135.5 175.5 . . 22 GLY . . . . . . . . . . . . . parsed_5ujg 1
19 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -128.4 -75.1 . . 23 CYSS . . . . . . . . . . . . . parsed_5ujg 1
20 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.1 162.5 . . 23 CYSS . . . . . . . . . . . . . parsed_5ujg 1
21 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -195.6 -19.9 . . 8 CYSS . . . . . . . . . . . . . parsed_5ujg 1
22 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 63.9 213.4 . . 8 CYSS . . . . . . . . . . . . . parsed_5ujg 1
23 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180 -20 . . 3 ASP . . . . . . . . . . . . . parsed_5ujg 1
24 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180 -20 . . 7 THR . . . . . . . . . . . . . parsed_5ujg 1
25 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10 90 . . 11 GLY . . . . . . . . . . . . . parsed_5ujg 1
26 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180 -20 . . 17 GLY . . . . . . . . . . . . . parsed_5ujg 1
27 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180 -20 . . 19 HIS . . . . . . . . . . . . . parsed_5ujg 1
28 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180 -20 . . 20 GLY . . . . . . . . . . . . . parsed_5ujg 1
29 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . . 21 TYR . . . . . . . . . . . . . parsed_5ujg 1
30 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180 -20 . . 24 CYSS . . . . . . . . . . . . . parsed_5ujg 1
31 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . . 8 CYSS . . . . . . . . . . . . . parsed_5ujg 1
32 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210 -150 . . 14 CYSS . . . . . . . . . . . . . parsed_5ujg 1
33 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . . 15 CYSS . . . . . . . . . . . . . parsed_5ujg 1
34 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . . 23 CYSS . . . . . . . . . . . . . parsed_5ujg 1
35 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . . 6 TYR . . . . . . . . . . . . . parsed_5ujg 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 3: grn24_37.aco" 1 1 1 33 parsed_5ujg 1
2 "Phi/Psi Angles From 'Strong' TALOS-N Predictions:" 3 1 3 52 parsed_5ujg 1
3 "error margins are set to conservative default values of double the" 4 1 4 72 parsed_5ujg 1
4 "standard deviation observed in TALOS-N capped at a minimum of +/-20 degree." 5 1 5 80 parsed_5ujg 1
5 "4 PRO PHI -84.7 -44.7" 6 4 6 34 parsed_5ujg 1
6 "4 PRO PSI 127.4 167.4" 7 4 7 34 parsed_5ujg 1
7 "10 PRO PHI -89.2 -49.2" 14 3 14 34 parsed_5ujg 1
8 "10 PRO PSI 127.6 175.0" 15 3 15 34 parsed_5ujg 1
9 "11 GLY PHI 74.4 141.6" 16 3 16 34 parsed_5ujg 1
10 "11 GLY PSI -197.5 -146.2" 17 3 17 34 parsed_5ujg 1
11 "21 TYR PHI -150.3 -39.5" 28 3 28 34 parsed_5ujg 1
12 "21 TYR PSI 114.7 163.5" 29 3 29 34 parsed_5ujg 1
13 "Phi/Psi Angles From 'Generous' TALOS-N Predictions:" 35 1 35 54 parsed_5ujg 1
14 "error margins are set to default values of triple the standard" 36 1 36 67 parsed_5ujg 1
15 "deviation observed in TALOS-N capped at a minimum of +/-30 degree." 37 1 37 71 parsed_5ujg 1
stop_
save_
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