Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
646204 | 6oky RC | 30600 | cing | 2-parsed | STAR | dihedral angle | 58 |
data_6oky_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6oky
_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_6oky 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6oky
_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 6oky "Master copy" parsed_6oky
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6oky
_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 6oky.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6oky 1
1 6oky.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 58 parsed_6oky 1
1 6oky.mr . . XPLOR/CNS 3 distance NOE simple 0 parsed_6oky 1
1 6oky.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6oky 1
stop_
save_
save_CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_6oky
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 2
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.2 -48.2 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_6oky 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.5 -16.5 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_6oky 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.2 -47.2 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_6oky 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.3 -19.3 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_6oky 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.4 -45.4 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_6oky 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.8 -19.8 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_6oky 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.9 -46.9 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_6oky 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.8 -16.8 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_6oky 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.8 -47.8 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_6oky 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.4 -19.4 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_6oky 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.5 -48.5 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_6oky 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.7 -16.7 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_6oky 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.7 -47.7 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_6oky 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.1 -15.1 . . 16 . N . 16 . CA . 16 . C . 17 . N parsed_6oky 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.1 -45.1 . . 21 . C . 22 . N . 22 . CA . 22 . C parsed_6oky 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.2 -20.2 . . 22 . N . 22 . CA . 22 . C . 23 . N parsed_6oky 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.8 -46.8 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_6oky 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.0 -18.0 . . 23 . N . 23 . CA . 23 . C . 24 . N parsed_6oky 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.4 -46.4 . . 23 . C . 24 . N . 24 . CA . 24 . C parsed_6oky 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.7 -20.7 . . 24 . N . 24 . CA . 24 . C . 25 . N parsed_6oky 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.1 -47.1 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_6oky 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.3 -17.3 . . 25 . N . 25 . CA . 25 . C . 26 . N parsed_6oky 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.0 -46.0 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_6oky 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.1 -18.1 . . 26 . N . 26 . CA . 26 . C . 27 . N parsed_6oky 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.3 -45.3 . . 26 . C . 27 . N . 27 . CA . 27 . C parsed_6oky 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.7 -18.7 . . 27 . N . 27 . CA . 27 . C . 28 . N parsed_6oky 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.5 -47.5 . . 27 . C . 28 . N . 28 . CA . 28 . C parsed_6oky 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.9 -15.9 . . 28 . N . 28 . CA . 28 . C . 29 . N parsed_6oky 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.6 -46.6 . . 28 . C . 29 . N . 29 . CA . 29 . C parsed_6oky 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.1 -16.1 . . 29 . N . 29 . CA . 29 . C . 30 . N parsed_6oky 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.5 -48.5 . . 29 . C . 30 . N . 30 . CA . 30 . C parsed_6oky 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.4 -18.4 . . 30 . N . 30 . CA . 30 . C . 31 . N parsed_6oky 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.7 -46.7 . . 30 . C . 31 . N . 31 . CA . 31 . C parsed_6oky 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.7 -18.7 . . 31 . N . 31 . CA . 31 . C . 32 . N parsed_6oky 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.3 -48.3 . . 31 . C . 32 . N . 32 . CA . 32 . C parsed_6oky 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.5 -14.5 . . 32 . N . 32 . CA . 32 . C . 33 . N parsed_6oky 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.8 -47.8 . . 36 . C . 37 . N . 37 . CA . 37 . C parsed_6oky 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.3 -18.3 . . 37 . N . 37 . CA . 37 . C . 38 . N parsed_6oky 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.0 -48.0 . . 37 . C . 38 . N . 38 . CA . 38 . C parsed_6oky 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.6 -17.6 . . 38 . N . 38 . CA . 38 . C . 39 . N parsed_6oky 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.3 -46.3 . . 38 . C . 39 . N . 39 . CA . 39 . C parsed_6oky 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.6 -21.6 . . 39 . N . 39 . CA . 39 . C . 40 . N parsed_6oky 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.9 -44.9 . . 39 . C . 40 . N . 40 . CA . 40 . C parsed_6oky 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.3 -18.3 . . 40 . N . 40 . CA . 40 . C . 41 . N parsed_6oky 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -47.0 . . 40 . C . 41 . N . 41 . CA . 41 . C parsed_6oky 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.7 -17.7 . . 41 . N . 41 . CA . 41 . C . 42 . N parsed_6oky 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.0 -48.0 . . 41 . C . 42 . N . 42 . CA . 42 . C parsed_6oky 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.1 -18.1 . . 42 . N . 42 . CA . 42 . C . 43 . N parsed_6oky 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.7 -45.7 . . 42 . C . 43 . N . 43 . CA . 43 . C parsed_6oky 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.1 -20.1 . . 43 . N . 43 . CA . 43 . C . 44 . N parsed_6oky 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -47.0 . . 43 . C . 44 . N . 44 . CA . 44 . C parsed_6oky 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.0 -16.0 . . 44 . N . 44 . CA . 44 . C . 45 . N parsed_6oky 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.3 -49.3 . . 44 . C . 45 . N . 45 . CA . 45 . C parsed_6oky 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.7 -17.7 . . 45 . N . 45 . CA . 45 . C . 46 . N parsed_6oky 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.7 -48.7 . . 45 . C . 46 . N . 46 . CA . 46 . C parsed_6oky 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.3 -14.3 . . 46 . N . 46 . CA . 46 . C . 47 . N parsed_6oky 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.2 -49.2 . . 46 . C . 47 . N . 47 . CA . 47 . C parsed_6oky 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.6 -14.6 . . 47 . N . 47 . CA . 47 . C . 48 . N parsed_6oky 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
;
Phi/Psi Angles From 'Strong' TALOS-N Predictions:
error margins are set to conservative default values of double the
standard deviation observed in TALOS-N capped at a minimum of +/-20 degree.
;
2 1 4 81 parsed_6oky 1
2
;
Phi/Psi Angles From 'Generous' TALOS-N Predictions:
error margins are set to default values of triple the standard
deviation observed in TALOS-N capped at a minimum of +/-20 degree.
;
122 1 124 72 parsed_6oky 1
stop_
loop_
_TA_constraint_parse_err.ID
_TA_constraint_parse_err.Content
_TA_constraint_parse_err.Begin_line
_TA_constraint_parse_err.Begin_column
_TA_constraint_parse_err.End_line
_TA_constraint_parse_err.End_column
_TA_constraint_parse_err.Entry_ID
_TA_constraint_parse_err.Torsion_angle_constraint_list_ID
1 "# Restraints file 1: VEK50RH2_talos_deposit.txt" 1 1 1 47 parsed_6oky 1
stop_
save_