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 |
|
|
630918 |
6aza   |
30342 | cing | 2-parsed | STAR | dihedral angle | 23 |
data_6aza_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6aza
_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_6aza 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6aza
_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 6aza "Master copy" parsed_6aza
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6aza
_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 6aza.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6aza 1
1 6aza.mr . . DYANA/DIANA 2 "dihedral angle" "Not applicable" "Not applicable" 150 parsed_6aza 1
1 6aza.mr . . DYANA/DIANA 3 distance NOE simple 66 parsed_6aza 1
1 6aza.mr . . DYANA/DIANA 4 distance "general distance" simple 12 parsed_6aza 1
1 6aza.mr . . DYANA/DIANA 5 "dihedral angle" "Not applicable" "Not applicable" 23 parsed_6aza 1
1 6aza.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6aza 1
stop_
save_
save_DYANA/DIANA_dihedral_5
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_6aza
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 5
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -122.8 -45.3 . . 3 LYS . . . . . . . . . . . . . parsed_6aza 1
2 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114.5 166.0 . . 3 LYS . . . . . . . . . . . . . parsed_6aza 1
3 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -133.4 -42.4 . . 4 THR . . . . . . . . . . . . . parsed_6aza 1
4 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.7 156.7 . . 4 THR . . . . . . . . . . . . . parsed_6aza 1
5 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -173.1 -43.4 . . 5 CYSS . . . . . . . . . . . . . parsed_6aza 1
6 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.8 174.9 . . 5 CYSS . . . . . . . . . . . . . parsed_6aza 1
7 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 68.0 108.0 . . 8 GLY . . . . . . . . . . . . . parsed_6aza 1
8 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -26.4 13.6 . . 8 GLY . . . . . . . . . . . . . parsed_6aza 1
9 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -115.4 -56.7 . . 9 ARG . . . . . . . . . . . . . parsed_6aza 1
10 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.8 152.8 . . 9 ARG . . . . . . . . . . . . . parsed_6aza 1
11 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -148.9 -41.5 . . 10 CYSS . . . . . . . . . . . . . parsed_6aza 1
12 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.0 160.9 . . 10 CYSS . . . . . . . . . . . . . parsed_6aza 1
13 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153.8 -47.4 . . 11 ARG . . . . . . . . . . . . . parsed_6aza 1
14 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.0 175.4 . . 11 ARG . . . . . . . . . . . . . parsed_6aza 1
15 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.9 165.9 . . 12 PRO . . . . . . . . . . . . . parsed_6aza 1
16 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.8 -42.8 . . 13 LYS . . . . . . . . . . . . . parsed_6aza 1
17 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.8 156.8 . . 13 LYS . . . . . . . . . . . . . parsed_6aza 1
18 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -41.9 -1.9 . . 14 PRO . . . . . . . . . . . . . parsed_6aza 1
19 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.8 -65.8 . . 15 ASN . . . . . . . . . . . . . parsed_6aza 1
20 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -27.4 12.6 . . 15 ASN . . . . . . . . . . . . . parsed_6aza 1
21 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -106.4 -42.1 . . 6 SER . . . . . . . . . . . . . parsed_6aza 1
22 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.3 170.3 . . 6 SER . . . . . . . . . . . . . parsed_6aza 1
23 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 9 ARG . . . . . . . . . . . . . parsed_6aza 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 5: ate.aco" 1 1 1 28 parsed_6aza 1
2 "REMARK error margins are set to conservative default values of double the standard deviation" 2 1 2 96 parsed_6aza 1
3 "observed in TALOS-N capped at a minimum of +/-20 degree." 3 1 3 66 parsed_6aza 1
4 "Phi/Psi Angles From 'Strong' Predictions" 5 1 5 43 parsed_6aza 1
5 "Phi/Psi Angles From 'Generous' Predictions" 27 1 27 45 parsed_6aza 1
6 "Chi1 angle" 31 1 31 11 parsed_6aza 1
stop_
save_
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