NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
32285 |
1fre   |
cing | 2-parsed | STAR | dihedral angle | 27 |
data_1fre_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1fre
_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_1fre 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1fre
_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 1fre "Master copy" parsed_1fre
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1fre
_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 1fre.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1fre 1
1 1fre.mr . . XPLOR/CNS 2 distance "general distance" simple 163 parsed_1fre 1
1 1fre.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 27 parsed_1fre 1
1 1fre.mr . . XPLOR/CNS 4 distance "general distance" simple 0 parsed_1fre 1
1 1fre.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1fre 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1fre
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 180.0 . . 2 . N . 2 . ca . 2 . c . 3 . N parsed_1fre 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10.0 210.0 . . 4 . N . 4 . ca . 4 . c . 5 . N parsed_1fre 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 95.0 . . 8 . N . 8 . ca . 8 . cb . 8 . cg parsed_1fre 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 160.0 . . 10 . N . 10 . ca . 10 . c . 11 . N parsed_1fre 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 10 . c . 11 . N . 11 . ca . 11 . c parsed_1fre 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.0 185.0 . . 11 . N . 11 . ca . 11 . c . 12 . N parsed_1fre 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 11 . N . 11 . ca . 11 . cb . 11 . cg parsed_1fre 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 12 . c . 13 . N . 13 . ca . 13 . c parsed_1fre 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 13 . N . 13 . ca . 13 . cb . 13 . cg parsed_1fre 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.0 -75.0 . . 14 . c . 15 . N . 15 . ca . 15 . c parsed_1fre 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 15 . N . 15 . ca . 15 . cb . 15 . cg parsed_1fre 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 50.0 150.0 . . 16 . N . 16 . ca . 16 . c . 17 . N parsed_1fre 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.0 -75.0 . . 16 . c . 17 . N . 17 . ca . 17 . c parsed_1fre 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 19 . N . 19 . ca . 19 . cb . 19 . cg parsed_1fre 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 19 . c . 20 . N . 20 . ca . 20 . c parsed_1fre 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 50.0 190.0 . . 20 . N . 20 . ca . 20 . c . 21 . N parsed_1fre 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 20 . N . 20 . ca . 20 . cb . 20 . cg parsed_1fre 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -25.0 . . 21 . c . 22 . N . 22 . ca . 22 . c parsed_1fre 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 22 . N . 22 . ca . 22 . cb . 22 . og parsed_1fre 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 24 . c . 25 . N . 25 . ca . 25 . c parsed_1fre 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 31 . c . 32 . N . 32 . ca . 32 . c parsed_1fre 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 38 . c . 39 . N . 39 . ca . 39 . c parsed_1fre 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 39 . c . 40 . N . 40 . ca . 40 . c parsed_1fre 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 50.0 190.0 . . 41 . N . 41 . ca . 41 . c . 42 . N parsed_1fre 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 22 . c . 23 . N . 23 . ca . 23 . c parsed_1fre 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 25 . c . 26 . N . 26 . ca . 26 . c parsed_1fre 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 18 . c . 19 . N . 19 . ca . 19 . c parsed_1fre 1
stop_
save_
Contact the webmaster for help, if required. Monday, June 3, 2024 2:46:33 PM GMT (wattos1)