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 |
|
|
30117 |
1bxp   |
4195 | cing | 2-parsed | STAR | dihedral angle | 18 |
data_1bxp_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1bxp
_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_1bxp 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1bxp
_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 1bxp "Master copy" parsed_1bxp
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1bxp
_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 1bxp.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1bxp 1
1 1bxp.mr . . XPLOR/CNS 2 distance NOE simple 1114 parsed_1bxp 1
1 1bxp.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 18 parsed_1bxp 1
1 1bxp.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_1bxp 1
1 1bxp.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1bxp 1
1 1bxp.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1bxp 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1bxp
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 3
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . . 2 . c . 3 . n . 3 . ca . 3 . c parsed_1bxp 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . . 4 . c . 5 . n . 5 . ca . 5 . c parsed_1bxp 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 5 . c . 6 . n . 6 . ca . 6 . c parsed_1bxp 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 6 . c . 7 . n . 7 . ca . 7 . c parsed_1bxp 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . . 7 . c . 8 . n . 8 . ca . 8 . c parsed_1bxp 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 8 . c . 9 . n . 9 . ca . 9 . c parsed_1bxp 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 11 . c . 12 . n . 12 . ca . 12 . c parsed_1bxp 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 12 . c . 13 . n . 13 . ca . 13 . c parsed_1bxp 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 13 . c . 14 . n . 14 . ca . 14 . c parsed_1bxp 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 19 . c . 20 . n . 20 . ca . 20 . c parsed_1bxp 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 20 . c . 21 . n . 21 . ca . 21 . c parsed_1bxp 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 21 . c . 22 . n . 22 . ca . 22 . c parsed_1bxp 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . . 22 . c . 23 . n . 23 . ca . 23 . c parsed_1bxp 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 23 . c . 24 . n . 24 . ca . 24 . c parsed_1bxp 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 24 . c . 25 . n . 25 . ca . 25 . c parsed_1bxp 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 25 . c . 26 . n . 26 . ca . 26 . c parsed_1bxp 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 26 . c . 27 . n . 27 . ca . 27 . c parsed_1bxp 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 29 . c . 30 . n . 30 . ca . 30 . c parsed_1bxp 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
;
DIHEDRAL ANGLES CONSTRAINTS
PHI ANGLES
THE TOXIN MOLECULE (RESIDUES 1-74)
!CYS 3
;
2 1 7 8 parsed_1bxp 1
2 "!THR 5" 10 1 10 8 parsed_1bxp 1
3 "!THR 6" 13 1 13 8 parsed_1bxp 1
4 "!ALA 7" 16 1 16 8 parsed_1bxp 1
5 "!THR 8" 19 1 19 8 parsed_1bxp 1
6 "!SER 9" 22 1 22 8 parsed_1bxp 1
7 "!SER 12" 25 1 25 9 parsed_1bxp 1
8 "!ALA 13" 28 1 28 9 parsed_1bxp 1
9 "!VAL 14" 31 1 31 9 parsed_1bxp 1
10 "!GLU 20" 34 1 34 9 parsed_1bxp 1
11 "!ASN 21" 37 1 37 9 parsed_1bxp 1
12 "!LEU 22" 40 1 40 9 parsed_1bxp 1
13 "!CYS 23" 43 1 43 9 parsed_1bxp 1
14 "!TYR 24" 46 1 46 9 parsed_1bxp 1
15 "!ARG 25" 49 1 49 9 parsed_1bxp 1
16 "!LYS 26" 52 1 52 9 parsed_1bxp 1
17 "!MET 27" 55 1 55 9 parsed_1bxp 1
18 "!ASP 30" 58 1 58 9 parsed_1bxp 1
stop_
save_
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