NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
36689 |
1o4x   |
cing | 2-parsed | STAR | dihedral angle | 18 |
data_1o4x_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1o4x
_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_1o4x 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1o4x
_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 1o4x "Master copy" parsed_1o4x
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1o4x
_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 1o4x.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1o4x 1
1 1o4x.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_1o4x 1
1 1o4x.mr . . XPLOR/CNS 3 "dipolar coupling" "Not applicable" "Not applicable" 139 parsed_1o4x 1
1 1o4x.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_1o4x 1
1 1o4x.mr . . XPLOR/CNS 5 "dipolar coupling" "Not applicable" "Not applicable" 204 parsed_1o4x 1
1 1o4x.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_1o4x 1
1 1o4x.mr . . XPLOR/CNS 7 distance NOE ambi 16 parsed_1o4x 1
1 1o4x.mr . . n/a 8 comment "Not applicable" "Not applicable" 0 parsed_1o4x 1
1 1o4x.mr . . XPLOR/CNS 9 distance NOE ambi 47 parsed_1o4x 1
1 1o4x.mr . . n/a 10 comment "Not applicable" "Not applicable" 0 parsed_1o4x 1
1 1o4x.mr . . XPLOR/CNS 11 distance NOE simple 3 parsed_1o4x 1
1 1o4x.mr . . n/a 12 comment "Not applicable" "Not applicable" 0 parsed_1o4x 1
1 1o4x.mr . . XPLOR/CNS 13 "dihedral angle" "Not applicable" "Not applicable" 18 parsed_1o4x 1
1 1o4x.mr . . n/a 14 comment "Not applicable" "Not applicable" 0 parsed_1o4x 1
1 1o4x.mr . . XPLOR/CNS 15 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1o4x 1
1 1o4x.mr . . n/a 16 comment "Not applicable" "Not applicable" 0 parsed_1o4x 1
1 1o4x.mr . . XPLOR/CNS 17 distance "general distance" simple 0 parsed_1o4x 1
1 1o4x.mr . . n/a 18 comment "Not applicable" "Not applicable" 0 parsed_1o4x 1
1 1o4x.mr . . XPLOR/CNS 19 distance "general distance" simple 0 parsed_1o4x 1
1 1o4x.mr . . n/a 20 comment "Not applicable" "Not applicable" 0 parsed_1o4x 1
1 1o4x.mr . . XPLOR/CNS 21 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1o4x 1
1 1o4x.mr . . n/a 22 comment "Not applicable" "Not applicable" 0 parsed_1o4x 1
1 1o4x.mr . . XPLOR/CNS 23 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1o4x 1
1 1o4x.mr . . n/a 24 comment "Not applicable" "Not applicable" 0 parsed_1o4x 1
1 1o4x.mr . . XPLOR/CNS 25 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1o4x 1
1 1o4x.mr . . n/a 26 comment "Not applicable" "Not applicable" 0 parsed_1o4x 1
1 1o4x.mr . . XPLOR/CNS 27 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1o4x 1
1 1o4x.mr . . "MR format" 28 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1o4x 1
stop_
save_
save_CNS/XPLOR_dihedral_13
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1o4x
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 13
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 274 . n . 274 . ca . 274 . cb . 274 . cg parsed_1o4x 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 269 . n . 269 . ca . 269 . cb . 269 . cg parsed_1o4x 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 200.0 . . 269 . ca . 269 . cb . 269 . cg . 269 . sd parsed_1o4x 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 80.0 . . 269 . cb . 269 . cg . 269 . sd . 269 . ce parsed_1o4x 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 262 . n . 262 . ca . 262 . cb . 262 . cg parsed_1o4x 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -200.0 -40.0 . . 262 . ca . 262 . cb . 262 . cg . 262 . cd parsed_1o4x 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 276 . n . 276 . ca . 276 . cb . 276 . cg parsed_1o4x 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -200.0 -40.0 . . 276 . ca . 276 . cb . 276 . cg . 276 . cd parsed_1o4x 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 265 . n . 265 . ca . 265 . cb . 265 . cg parsed_1o4x 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 265 . ca . 265 . cb . 265 . cg . 265 . cd parsed_1o4x 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -200.0 -40.0 . . 270 . n . 270 . ca . 270 . cb . 270 . cg parsed_1o4x 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 25 . n . 25 . ca . 25 . cb . 25 . cg1 parsed_1o4x 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 25 . ca . 25 . cb . 25 . cg1 . 25 . cd1 parsed_1o4x 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -200.0 -40.0 . . 22 . n . 22 . ca . 22 . cb . 22 . cg parsed_1o4x 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 21 . n . 21 . ca . 21 . cb . 21 . cg parsed_1o4x 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -200.0 -40.0 . . 18 . n . 18 . ca . 18 . cb . 18 . cg parsed_1o4x 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 80.0 . . 18 . ca . 18 . cb . 18 . cg . 18 . cd parsed_1o4x 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . . 30 . n . 30 . ca . 30 . cb . 30 . og1 parsed_1o4x 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 D274 1 1 1 6 parsed_1o4x 1
2 Met269 5 1 5 8 parsed_1o4x 1
3 K262 13 1 13 6 parsed_1o4x 1
4 K276 20 1 20 6 parsed_1o4x 1
5 R265 27 1 27 6 parsed_1o4x 1
6 K270 34 1 34 6 parsed_1o4x 1
7 I25 40 1 40 5 parsed_1o4x 1
8 Q22 47 1 47 5 parsed_1o4x 1
9 K21 52 1 52 5 parsed_1o4x 1
10 K18 57 1 57 5 parsed_1o4x 1
11 T30 64 1 64 5 parsed_1o4x 1
stop_
save_
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