Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
642763 | 6rva RC | 34408 | cing | 2-parsed | STAR | dihedral angle | 39 |
data_6rva_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6rva
_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_6rva 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6rva
_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 6rva "Master copy" parsed_6rva
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6rva
_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 6rva.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6rva 1
1 6rva.mr . . XPLOR/CNS 2 "coupling constant" "Not applicable" "Not applicable" 0 parsed_6rva 1
1 6rva.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 39 parsed_6rva 1
1 6rva.mr . . XPLOR/CNS 4 distance NOE ambi 0 parsed_6rva 1
1 6rva.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6rva 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_6rva
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.6 -42.6 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_6rva 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.2 -18.2 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_6rva 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -47.0 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_6rva 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.9 -14.9 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_6rva 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.4 -48.4 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_6rva 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.8 -21.8 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_6rva 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.5 -41.5 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_6rva 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.3 -22.3 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_6rva 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.8 -47.8 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_6rva 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.5 -14.5 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_6rva 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.3 -46.3 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_6rva 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.6 -20.6 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_6rva 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.3 -46.3 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_6rva 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.7 -15.7 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_6rva 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.8 -44.8 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_6rva 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.9 -14.9 . . 16 . N . 16 . CA . 16 . C . 17 . N parsed_6rva 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.9 -49.9 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_6rva 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.6 -13.8 . . 17 . N . 17 . CA . 17 . C . 18 . N parsed_6rva 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.2 -44.2 . . 44 . C . 45 . N . 45 . CA . 45 . C parsed_6rva 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.6 -19.6 . . 45 . N . 45 . CA . 45 . C . 46 . N parsed_6rva 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.8 -47.8 . . 45 . C . 46 . N . 46 . CA . 46 . C parsed_6rva 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.1 -16.1 . . 46 . N . 46 . CA . 46 . C . 47 . N parsed_6rva 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.8 -51.8 . . 46 . C . 47 . N . 47 . CA . 47 . C parsed_6rva 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.9 -7.9 . . 47 . N . 47 . CA . 47 . C . 48 . N parsed_6rva 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.7 -38.7 . . 54 . C . 55 . N . 55 . CA . 55 . C parsed_6rva 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.0 -14.0 . . 55 . N . 55 . CA . 55 . C . 56 . N parsed_6rva 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.6 -47.6 . . 55 . C . 56 . N . 56 . CA . 56 . C parsed_6rva 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.3 -10.3 . . 56 . N . 56 . CA . 56 . C . 57 . N parsed_6rva 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.1 -51.1 . . 56 . C . 57 . N . 57 . CA . 57 . C parsed_6rva 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.7 -8.1 . . 57 . N . 57 . CA . 57 . C . 58 . N parsed_6rva 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.5 -46.5 . . 57 . C . 58 . N . 58 . CA . 58 . C parsed_6rva 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.8 -17.8 . . 58 . N . 58 . CA . 58 . C . 59 . N parsed_6rva 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.6 -47.6 . . 58 . C . 59 . N . 59 . CA . 59 . C parsed_6rva 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -46.0 -6.0 . . 59 . N . 59 . CA . 59 . C . 60 . N parsed_6rva 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.7 -51.7 . . 59 . C . 60 . N . 60 . CA . 60 . C parsed_6rva 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -44.4 -4.4 . . 60 . N . 60 . CA . 60 . C . 61 . N parsed_6rva 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 45 . N . 45 . CA . 45 . CB . 45 . CG1 parsed_6rva 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 62 . N . 62 . CA . 62 . CB . 62 . SG parsed_6rva 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . . 53 . N . 53 . CA . 53 . CB . 53 . SG parsed_6rva 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_6rva 1
2 "Jcoupling converted" 79 1 79 22 parsed_6rva 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 2: dih.tbl" 1 1 1 28 parsed_6rva 1
stop_
save_