NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
36292 |
1nau   |
5673 | cing | 2-parsed | STAR | dihedral angle | 37 |
data_1nau_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1nau
_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_1nau 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1nau
_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 1nau "Master copy" parsed_1nau
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1nau
_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 1nau.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1nau 1
1 1nau.mr . . DISCOVER 2 stereochemistry chirality "Not applicable" 0 parsed_1nau 1
1 1nau.mr . . DISCOVER 3 distance NOE simple 475 parsed_1nau 1
1 1nau.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_1nau 1
1 1nau.mr . . DISCOVER 5 "dihedral angle" "Not applicable" "Not applicable" 37 parsed_1nau 1
1 1nau.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1nau 1
stop_
save_
save_Discover_dihedral_5
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1nau
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.000 -1.000 . 1 3 GLY C 1 4 THR N 1 4 THR CA 1 4 THR C parsed_1nau 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -40.000 . 1 5 THR C 1 6 SER N 1 6 SER CA 1 6 SER C parsed_1nau 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -40.000 . 1 6 SER C 1 7 GLU N 1 7 GLU CA 1 7 GLU C parsed_1nau 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.000 -1.000 . 1 7 GLU C 1 8 TYR N 1 8 TYR CA 1 8 TYR C parsed_1nau 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -40.000 . 1 8 TYR C 1 9 SER N 1 9 SER CA 1 9 SER C parsed_1nau 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -40.000 . 1 9 SER C 1 10 LYS N 1 10 LYS CA 1 10 LYS C parsed_1nau 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 -90.000 . 1 13 ASP C 1 14 SER N 1 14 SER CA 1 14 SER C parsed_1nau 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.000 -1.000 . 1 14 SER C 1 15 ARG N 1 15 ARG CA 1 15 ARG C parsed_1nau 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -40.000 . 1 15 ARG C 1 16 ARG N 1 16 ARG CA 1 16 ARG C parsed_1nau 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -40.000 . 1 17 ALA C 1 18 GLN N 1 18 GLN CA 1 18 GLN C parsed_1nau 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -40.000 . 1 21 VAL C 1 22 GLN N 1 22 GLN CA 1 22 GLN C parsed_1nau 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -5.000 5.000 . 1 1 SERN O 1 1 SERN C 1 2 GLN N 1 2 GLN CA parsed_1nau 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -5.000 5.000 . 1 2 GLN O 1 2 GLN C 1 3 GLY N 1 3 GLY CA parsed_1nau 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -5.000 5.000 . 1 3 GLY O 1 3 GLY C 1 4 THR N 1 4 THR CA parsed_1nau 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -5.000 5.000 . 1 4 THR O 1 4 THR C 1 5 THR N 1 5 THR CA parsed_1nau 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -5.000 5.000 . 1 5 THR O 1 5 THR C 1 6 SER N 1 6 SER CA parsed_1nau 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -5.000 5.000 . 1 6 SER O 1 6 SER C 1 7 GLU N 1 7 GLU CA parsed_1nau 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -5.000 5.000 . 1 7 GLU O 1 7 GLU C 1 8 TYR N 1 8 TYR CA parsed_1nau 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -5.000 5.000 . 1 8 TYR O 1 8 TYR C 1 9 SER N 1 9 SER CA parsed_1nau 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -5.000 5.000 . 1 9 SER O 1 9 SER C 1 10 LYS N 1 10 LYS CA parsed_1nau 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -5.000 5.000 . 1 10 LYS O 1 10 LYS C 1 11 TYR N 1 11 TYR CA parsed_1nau 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -5.000 5.000 . 1 11 TYR O 1 11 TYR C 1 12 LEU N 1 12 LEU CA parsed_1nau 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -5.000 5.000 . 1 12 LEU O 1 12 LEU C 1 13 ASP N 1 13 ASP CA parsed_1nau 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -5.000 5.000 . 1 13 ASP O 1 13 ASP C 1 14 SER N 1 14 SER CA parsed_1nau 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -5.000 5.000 . 1 14 SER O 1 14 SER C 1 15 ARG N 1 15 ARG CA parsed_1nau 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -5.000 5.000 . 1 15 ARG O 1 15 ARG C 1 16 ARG N 1 16 ARG CA parsed_1nau 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -5.000 5.000 . 1 16 ARG O 1 16 ARG C 1 17 ALA N 1 17 ALA CA parsed_1nau 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -5.000 5.000 . 1 17 ALA O 1 17 ALA C 1 18 GLN N 1 18 GLN CA parsed_1nau 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -5.000 5.000 . 1 18 GLN O 1 18 GLN C 1 19 ASP N 1 19 ASP CA parsed_1nau 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -5.000 5.000 . 1 19 ASP O 1 19 ASP C 1 20 PHE N 1 20 PHE CA parsed_1nau 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -5.000 5.000 . 1 20 PHE O 1 20 PHE C 1 21 VAL N 1 21 VAL CA parsed_1nau 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -5.000 5.000 . 1 21 VAL O 1 21 VAL C 1 22 GLN N 1 22 GLN CA parsed_1nau 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -5.000 5.000 . 1 22 GLN O 1 22 GLN C 1 23 TRP N 1 23 TRP CA parsed_1nau 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -5.000 5.000 . 1 23 TRP O 1 23 TRP C 1 24 LEU N 1 24 LEU CA parsed_1nau 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -5.000 5.000 . 1 24 LEU O 1 24 LEU C 1 25 MET N 1 25 MET CA parsed_1nau 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -5.000 5.000 . 1 25 MET O 1 25 MET C 1 26 ASN N 1 26 ASN CA parsed_1nau 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -5.000 5.000 . 1 26 ASN O 1 26 ASN C 1 27 THR N 1 27 THR CA parsed_1nau 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 NMR_dihedral 1 1 1 13 parsed_1nau 1
stop_
save_
Contact the webmaster for help, if required. Thursday, May 23, 2024 10:48:48 AM GMT (wattos1)