NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
651062 |
6pqt   |
30633 | cing | 2-parsed | STAR | dihedral angle | 68 |
data_6pqt_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6pqt
_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_6pqt 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6pqt
_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 6pqt "Master copy" parsed_6pqt
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6pqt
_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 6pqt.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6pqt 1
1 6pqt.mr . . XPLOR/CNS 2 distance NOE ambi 853 parsed_6pqt 1
1 6pqt.mr . . XPLOR/CNS 3 "coupling constant" "Not applicable" "Not applicable" 0 parsed_6pqt 1
1 6pqt.mr . . XPLOR/CNS 4 "dipolar coupling" "Not applicable" "Not applicable" 17 parsed_6pqt 1
1 6pqt.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 68 parsed_6pqt 1
1 6pqt.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6pqt 1
stop_
save_
save_CNS/XPLOR_dihedral_5
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_6pqt
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.4 -45.4 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_6pqt 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.5 -16.5 . . 3 . N . 3 . CA . 3 . C . 4 . N parsed_6pqt 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.4 -47.4 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_6pqt 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.8 -19.8 . . 4 . N . 4 . CA . 4 . C . 5 . N parsed_6pqt 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.6 -45.6 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_6pqt 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.4 -19.4 . . 5 . N . 5 . CA . 5 . C . 6 . N parsed_6pqt 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.8 -44.8 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_6pqt 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.6 -18.6 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_6pqt 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.8 -46.8 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_6pqt 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.4 -20.4 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_6pqt 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.0 -46.0 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_6pqt 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.7 -21.7 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_6pqt 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.4 -45.4 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_6pqt 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.5 -20.5 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_6pqt 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.7 -46.7 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_6pqt 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.1 -20.1 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_6pqt 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.6 -46.6 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_6pqt 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.6 -20.6 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_6pqt 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.8 -44.8 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_6pqt 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.0 -21.0 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_6pqt 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.4 -46.4 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_6pqt 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.5 -19.5 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_6pqt 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.9 -44.9 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_6pqt 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.3 -21.3 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_6pqt 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.5 -45.5 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_6pqt 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.8 -19.8 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_6pqt 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -47.0 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_6pqt 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.4 -17.4 . . 16 . N . 16 . CA . 16 . C . 17 . N parsed_6pqt 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.5 -47.5 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_6pqt 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.6 -17.6 . . 17 . N . 17 . CA . 17 . C . 18 . N parsed_6pqt 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.4 -44.4 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_6pqt 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.0 -23.0 . . 18 . N . 18 . CA . 18 . C . 19 . N parsed_6pqt 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.2 -44.2 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_6pqt 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.8 -20.8 . . 19 . N . 19 . CA . 19 . C . 20 . N parsed_6pqt 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.7 -44.7 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_6pqt 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.8 -23.8 . . 20 . N . 20 . CA . 20 . C . 21 . N parsed_6pqt 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.2 -43.2 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_6pqt 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.6 -20.6 . . 21 . N . 21 . CA . 21 . C . 22 . N parsed_6pqt 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.4 -45.4 . . 21 . C . 22 . N . 22 . CA . 22 . C parsed_6pqt 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.2 -22.2 . . 22 . N . 22 . CA . 22 . C . 23 . N parsed_6pqt 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.9 -44.9 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_6pqt 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.2 -18.2 . . 23 . N . 23 . CA . 23 . C . 24 . N parsed_6pqt 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.2 -44.2 . . 23 . C . 24 . N . 24 . CA . 24 . C parsed_6pqt 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.4 -22.4 . . 24 . N . 24 . CA . 24 . C . 25 . N parsed_6pqt 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.5 -46.5 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_6pqt 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.1 -19.1 . . 25 . N . 25 . CA . 25 . C . 26 . N parsed_6pqt 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.4 -48.4 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_6pqt 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.3 -16.3 . . 26 . N . 26 . CA . 26 . C . 27 . N parsed_6pqt 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.9 -48.9 . . 26 . C . 27 . N . 27 . CA . 27 . C parsed_6pqt 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.1 -17.1 . . 27 . N . 27 . CA . 27 . C . 28 . N parsed_6pqt 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.3 -47.3 . . 27 . C . 28 . N . 28 . CA . 28 . C parsed_6pqt 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.3 -20.3 . . 28 . N . 28 . CA . 28 . C . 29 . N parsed_6pqt 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.4 -48.4 . . 28 . C . 29 . N . 29 . CA . 29 . C parsed_6pqt 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.7 -9.7 . . 29 . N . 29 . CA . 29 . C . 30 . N parsed_6pqt 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.7 -47.7 . . 53 . C . 54 . N . 54 . CA . 54 . C parsed_6pqt 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.7 -11.9 . . 54 . N . 54 . CA . 54 . C . 55 . N parsed_6pqt 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.3 -47.3 . . 57 . C . 58 . N . 58 . CA . 58 . C parsed_6pqt 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.0 -11.0 . . 58 . N . 58 . CA . 58 . C . 59 . N parsed_6pqt 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.1 -51.1 . . 58 . C . 59 . N . 59 . CA . 59 . C parsed_6pqt 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.8 -10.8 . . 59 . N . 59 . CA . 59 . C . 60 . N parsed_6pqt 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.2 -52.2 . . 59 . C . 60 . N . 60 . CA . 60 . C parsed_6pqt 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.2 -13.0 . . 60 . N . 60 . CA . 60 . C . 61 . N parsed_6pqt 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.8 -42.8 . . 1 . C . 2 . N . 2 . CA . 2 . C parsed_6pqt 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.9 -16.9 . . 2 . N . 2 . CA . 2 . C . 3 . N parsed_6pqt 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -136.1 -52.3 . . 52 . C . 53 . N . 53 . CA . 53 . C parsed_6pqt 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.8 38.2 . . 53 . N . 53 . CA . 53 . C . 54 . N parsed_6pqt 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -109.3 -38.3 . . 56 . C . 57 . N . 57 . CA . 57 . C parsed_6pqt 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.2 7.0 . . 57 . N . 57 . CA . 57 . C . 58 . N parsed_6pqt 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
;
REMARK error margins are set to conservative default values of double the standard deviation
observed in TALOS-N, capped at a minimum of +/-20 degree.
REMARK Phi/Psi Angles From 'Strong' Predictions
;
2 1 5 51 parsed_6pqt 1
2 "REMARK Phi/Psi Angles From 'Generous' Predictions" 131 1 131 53 parsed_6pqt 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 5: talos_phi_psi.tbl" 1 1 1 38 parsed_6pqt 1
stop_
save_
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