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 | subtype | item_count |
|
|
613711 |
5t7q   |
30170 | cing | 2-parsed | STAR | entry | full | 34 |
data_5t7q_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_5t7q
_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_5t7q 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_5t7q
_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 5t7q "Master copy" parsed_5t7q
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_5t7q
_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 5t7q.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5t7q 1
1 5t7q.mr . . DYANA/DIANA 2 "dihedral angle" "Not applicable" "Not applicable" 34 parsed_5t7q 1
1 5t7q.mr . . "MR format" 3 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5t7q 1
stop_
save_
save_MR_file_comment_1
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_5t7q
_Org_constr_file_comment.ID 1
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 1
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
*HEADER SIGNALING PROTEIN 05-SEP-16 5T7Q
*TITLE TIRAP PHOSPHOINOSITIDE-BINDING MOTIF
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: TOLL/INTERLEUKIN-1 RECEPTOR DOMAIN-CONTAINING ADAPTER
*COMPND 3 PROTEIN;
*COMPND 4 CHAIN: A;
*COMPND 5 FRAGMENT: UNP RESIDUES 15-35;
*COMPND 6 SYNONYM: TIR DOMAIN-CONTAINING ADAPTER PROTEIN,ADAPTOR PROTEIN WYATT,
*COMPND 7 MYD88 ADAPTER-LIKE PROTEIN,MYD88-2;
*COMPND 8 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
*SOURCE 3 ORGANISM_COMMON: HUMAN;
*SOURCE 4 ORGANISM_TAXID: 9606;
*SOURCE 5 GENE: TIRAP, MAL;
*SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI 'BL21-GOLD(DE3)PLYSS AG';
*SOURCE 7 EXPRESSION_SYSTEM_TAXID: 866768
*KEYWDS TIRAP, PHOSPHOINOSITIDE, PHOSPHORYLATION, PHOSPHOINOSITIDE-BINDING
*KEYWDS 2 MOTIF; STRUCTURE, SIGNALING PROTEIN
*EXPDTA SOLUTION NMR
*NUMMDL 20
*AUTHOR D.G.S.CAPELLUTO,J.F.ELLENA,G.ARMSTRONG,X.ZHAO,S.XIAO
*REVDAT 1 08-MAR-17 5T7Q 0
;
save_
save_DYANA/DIANA_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_5t7q
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.8 -36.8 . . 17 PRO . . . . . . . . . . . . . parsed_5t7q 1
2 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.0 -15.0 . . 17 PRO . . . . . . . . . . . . . parsed_5t7q 1
3 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.9 -47.9 . . 18 LEU . . . . . . . . . . . . . parsed_5t7q 1
4 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.4 -20.4 . . 18 LEU . . . . . . . . . . . . . parsed_5t7q 1
5 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.8 -42.8 . . 19 GLY . . . . . . . . . . . . . parsed_5t7q 1
6 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.3 -22.3 . . 19 GLY . . . . . . . . . . . . . parsed_5t7q 1
7 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.8 -45.8 . . 20 LYS . . . . . . . . . . . . . parsed_5t7q 1
8 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.3 -21.3 . . 20 LYS . . . . . . . . . . . . . parsed_5t7q 1
9 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.2 -43.2 . . 21 MET . . . . . . . . . . . . . parsed_5t7q 1
10 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.8 -23.8 . . 21 MET . . . . . . . . . . . . . parsed_5t7q 1
11 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.5 -42.5 . . 22 ALA . . . . . . . . . . . . . parsed_5t7q 1
12 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.0 -21.0 . . 22 ALA . . . . . . . . . . . . . parsed_5t7q 1
13 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.8 -45.8 . . 23 ASP . . . . . . . . . . . . . parsed_5t7q 1
14 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.4 -21.4 . . 23 ASP . . . . . . . . . . . . . parsed_5t7q 1
15 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.7 -44.7 . . 24 TRP . . . . . . . . . . . . . parsed_5t7q 1
16 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.1 -23.1 . . 24 TRP . . . . . . . . . . . . . parsed_5t7q 1
17 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.3 -44.3 . . 25 PHE . . . . . . . . . . . . . parsed_5t7q 1
18 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.7 -21.7 . . 25 PHE . . . . . . . . . . . . . parsed_5t7q 1
19 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.9 -42.9 . . 26 ARG . . . . . . . . . . . . . parsed_5t7q 1
20 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.6 -21.6 . . 26 ARG . . . . . . . . . . . . . parsed_5t7q 1
21 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.8 -46.8 . . 27 GLN . . . . . . . . . . . . . parsed_5t7q 1
22 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.5 -19.5 . . 27 GLN . . . . . . . . . . . . . parsed_5t7q 1
23 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -45.0 . . 28 THR . . . . . . . . . . . . . parsed_5t7q 1
24 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.1 -19.1 . . 28 THR . . . . . . . . . . . . . parsed_5t7q 1
25 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -47.0 . . 29 LEU . . . . . . . . . . . . . parsed_5t7q 1
26 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.9 -17.9 . . 29 LEU . . . . . . . . . . . . . parsed_5t7q 1
27 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.3 -49.3 . . 30 LEU . . . . . . . . . . . . . parsed_5t7q 1
28 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.3 -7.3 . . 30 LEU . . . . . . . . . . . . . parsed_5t7q 1
29 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -102.5 -62.5 . . 31 LYS . . . . . . . . . . . . . parsed_5t7q 1
30 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.6 10.9 . . 31 LYS . . . . . . . . . . . . . parsed_5t7q 1
31 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.3 -36.3 . . 16 LYS . . . . . . . . . . . . . parsed_5t7q 1
32 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 104.1 191.3 . . 16 LYS . . . . . . . . . . . . . parsed_5t7q 1
33 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -211.7 -1.7 . . 32 LYS . . . . . . . . . . . . . parsed_5t7q 1
34 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -3.9 203.3 . . 32 LYS . . . . . . . . . . . . . parsed_5t7q 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: cyanaDihedralPBM.txt" 1 1 1 41 parsed_5t7q 1
2 "Phi/Psi Angles From 'Strong' TALOS-N Predictions:" 3 1 3 52 parsed_5t7q 1
3 "error margins are set to conservative default values of double the" 4 1 4 72 parsed_5t7q 1
4 "standard deviation observed in TALOS-N capped at a minimum of +/-20 degree." 5 1 5 80 parsed_5t7q 1
5 "Phi/Psi Angles From 'Generous' TALOS-N Predictions:" 37 1 37 54 parsed_5t7q 1
6 "error margins are set to default values of triple the standard" 38 1 38 67 parsed_5t7q 1
7 "deviation observed in TALOS-N capped at a minimum of +/-30 degree." 39 1 39 71 parsed_5t7q 1
stop_
save_
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