NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
629827 |
5wov   |
30323 | cing | 2-parsed | STAR | dihedral angle | 46 |
data_5wov_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_5wov
_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_5wov 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_5wov
_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 5wov "Master copy" parsed_5wov
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_5wov
_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 5wov.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5wov 1
1 5wov.mr . . XPLOR/CNS 2 distance NOE simple 284 parsed_5wov 1
1 5wov.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 46 parsed_5wov 1
1 5wov.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 0 parsed_5wov 1
1 5wov.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5wov 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_5wov
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111.5 158.7 . . 4 . N . 4 . CA . 4 . C . 5 . N parsed_5wov 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.0 -14.0 . . 5 . N . 5 . CA . 5 . C . 6 . N parsed_5wov 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.1 -48.1 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_5wov 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.6 -50.6 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_5wov 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.5 171.7 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_5wov 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -222.2 -16.2 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_5wov 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 86.1 184.3 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_5wov 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -169.4 -126.0 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_5wov 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 136.0 188.8 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_5wov 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 11 . N . 11 . CA . 11 . CB . 11 . SG parsed_5wov 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -131.5 -45.1 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_5wov 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.9 15.3 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_5wov 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -182.3 -82.7 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_5wov 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.2 185.2 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_5wov 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 13 . N . 13 . CA . 13 . CB . 13 . CG parsed_5wov 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.0 -41.0 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_5wov 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.6 -17.6 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_5wov 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.8 -44.8 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_5wov 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.9 -13.9 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_5wov 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 15 . N . 15 . CA . 15 . CB . 15 . OG parsed_5wov 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.5 -53.1 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_5wov 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.3 -13.3 . . 16 . N . 16 . CA . 16 . C . 17 . N parsed_5wov 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -138.0 -31.4 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_5wov 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 65.3 168.7 . . 17 . N . 17 . CA . 17 . C . 18 . N parsed_5wov 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_5wov 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_5wov 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 180.0 . . 21 . N . 21 . CA . 21 . C . 22 . N parsed_5wov 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 21 . N . 21 . CA . 21 . CB . 21 . SG parsed_5wov 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -152.5 -112.5 . . 21 . C . 22 . N . 22 . CA . 22 . C parsed_5wov 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135.2 175.2 . . 22 . N . 22 . CA . 22 . C . 23 . N parsed_5wov 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.6 -48.6 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_5wov 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 118.6 169.8 . . 23 . N . 23 . CA . 23 . C . 24 . N parsed_5wov 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 23 . N . 23 . CA . 23 . CB . 23 . SG parsed_5wov 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.2 -42.2 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_5wov 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.5 -20.5 . . 25 . N . 25 . CA . 25 . C . 26 . N parsed_5wov 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.3 -47.3 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_5wov 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.8 -11.8 . . 26 . N . 26 . CA . 26 . C . 27 . N parsed_5wov 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 26 . N . 26 . CA . 26 . CB . 26 . CG parsed_5wov 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 28 . N . 28 . CA . 28 . CB . 28 . CG parsed_5wov 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 29 . N . 29 . CA . 29 . CB . 29 . SG parsed_5wov 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.9 -40.9 . . 29 . C . 30 . N . 30 . CA . 30 . C parsed_5wov 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.2 -22.2 . . 30 . N . 30 . CA . 30 . C . 31 . N parsed_5wov 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.4 -46.4 . . 30 . C . 31 . N . 31 . CA . 31 . C parsed_5wov 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.0 -22.0 . . 31 . N . 31 . CA . 31 . C . 32 . N parsed_5wov 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.5 -43.5 . . 31 . C . 32 . N . 32 . CA . 32 . C parsed_5wov 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.5 -20.5 . . 32 . N . 32 . CA . 32 . C . 33 . N parsed_5wov 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 restraints" 1 1 1 21 parsed_5wov 1
stop_
save_
Contact the webmaster for help, if required. Monday, April 29, 2024 9:06:47 AM GMT (wattos1)