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 |
|
|
642944 |
6u6g   |
30660 | cing | 2-parsed | STAR | dihedral angle | 38 |
data_6u6g_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6u6g
_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_6u6g 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6u6g
_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 6u6g "Master copy" parsed_6u6g
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6u6g
_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 6u6g.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6u6g 1
1 6u6g.mr . . DYANA/DIANA 2 "dihedral angle" "Not applicable" "Not applicable" 38 parsed_6u6g 1
1 6u6g.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 0 parsed_6u6g 1
1 6u6g.mr . . XPLOR/CNS 4 distance NOE simple 0 parsed_6u6g 1
1 6u6g.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6u6g 1
stop_
save_
save_DYANA/DIANA_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_6u6g
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.8 -47.4 . . 7 LYS . . . . . . . . . . . . . parsed_6u6g 1
2 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 69.7 193.8 . . 7 LYS . . . . . . . . . . . . . parsed_6u6g 1
3 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -157.3 -114.1 . . 9 CYSS . . . . . . . . . . . . . parsed_6u6g 1
4 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 137.8 187.9 . . 9 CYSS . . . . . . . . . . . . . parsed_6u6g 1
5 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -188.5 -53.0 . . 10 ILE . . . . . . . . . . . . . parsed_6u6g 1
6 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.3 179.6 . . 10 ILE . . . . . . . . . . . . . parsed_6u6g 1
7 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -109.4 -56.0 . . 11 SER . . . . . . . . . . . . . parsed_6u6g 1
8 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155.9 178.0 . . 11 SER . . . . . . . . . . . . . parsed_6u6g 1
9 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.8 -50.8 . . 12 ASP . . . . . . . . . . . . . parsed_6u6g 1
10 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.6 -30.6 . . 12 ASP . . . . . . . . . . . . . parsed_6u6g 1
11 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.8 -49.5 . . 13 LYS . . . . . . . . . . . . . parsed_6u6g 1
12 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.1 -8.1 . . 13 LYS . . . . . . . . . . . . . parsed_6u6g 1
13 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -133.7 -68.1 . . 14 GLU . . . . . . . . . . . . . parsed_6u6g 1
14 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -46.9 23.9 . . 14 GLU . . . . . . . . . . . . . parsed_6u6g 1
15 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -131.7 -22.4 . . 16 SER . . . . . . . . . . . . . parsed_6u6g 1
16 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 81.9 207.0 . . 16 SER . . . . . . . . . . . . . parsed_6u6g 1
17 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.9 -81.7 . . 22 ARG . . . . . . . . . . . . . parsed_6u6g 1
18 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 85.5 165.9 . . 22 ARG . . . . . . . . . . . . . parsed_6u6g 1
19 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -163.8 -65.2 . . 23 ALA . . . . . . . . . . . . . parsed_6u6g 1
20 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.5 176.3 . . 23 ALA . . . . . . . . . . . . . parsed_6u6g 1
21 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.9 -93.8 . . 24 ARG . . . . . . . . . . . . . parsed_6u6g 1
22 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 101.1 168.6 . . 24 ARG . . . . . . . . . . . . . parsed_6u6g 1
23 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -168.4 -70.4 . . 25 CYSS . . . . . . . . . . . . . parsed_6u6g 1
24 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.5 145.6 . . 25 CYSS . . . . . . . . . . . . . parsed_6u6g 1
25 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.8 -54.4 . . 26 ARG . . . . . . . . . . . . . parsed_6u6g 1
26 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 86.7 144.5 . . 26 ARG . . . . . . . . . . . . . parsed_6u6g 1
27 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 42.7 62.7 . . 27 LYS . . . . . . . . . . . . . parsed_6u6g 1
28 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 33.1 53.1 . . 27 LYS . . . . . . . . . . . . . parsed_6u6g 1
29 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 53.5 100.0 . . 28 GLY . . . . . . . . . . . . . parsed_6u6g 1
30 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -27.2 37.2 . . 28 GLY . . . . . . . . . . . . . parsed_6u6g 1
31 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -141.7 -67.6 . . 29 TYR . . . . . . . . . . . . . parsed_6u6g 1
32 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 128.2 176.9 . . 29 TYR . . . . . . . . . . . . . parsed_6u6g 1
33 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -148.3 -106.8 . . 30 CYSS . . . . . . . . . . . . . parsed_6u6g 1
34 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 118.1 160.1 . . 30 CYSS . . . . . . . . . . . . . parsed_6u6g 1
35 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -163.0 -82.7 . . 31 VAL . . . . . . . . . . . . . parsed_6u6g 1
36 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 102.2 167.4 . . 31 VAL . . . . . . . . . . . . . parsed_6u6g 1
37 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -164.3 -75.0 . . 32 ARG . . . . . . . . . . . . . parsed_6u6g 1
38 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.9 176.1 . . 32 ARG . . . . . . . . . . . . . parsed_6u6g 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: DEF19_talos.aco" 1 1 1 36 parsed_6u6g 1
stop_
save_
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