Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
29131 | 1aju RC | cing | 2-parsed | STAR | dihedral angle | 60 |
data_1aju_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1aju
_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_1aju 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1aju
_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 1aju "Master copy" parsed_1aju
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1aju
_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 1aju.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1aju 1
1 1aju.mr . . XPLOR/CNS 2 distance NOE ambi 662 parsed_1aju 1
1 1aju.mr . . XPLOR/CNS 3 distance NOE ambi 19 parsed_1aju 1
1 1aju.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_1aju 1
1 1aju.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 60 parsed_1aju 1
1 1aju.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_1aju 1
1 1aju.mr . . XPLOR/CNS 7 "dihedral angle" "Not applicable" "Not applicable" 60 parsed_1aju 1
1 1aju.mr . . n/a 8 comment "Not applicable" "Not applicable" 0 parsed_1aju 1
1 1aju.mr . . "MR format" 9 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1aju 1
stop_
save_
save_CNS/XPLOR_dihedral_7
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1aju
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 7
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.0 -35.0 . . 23 . C1' . 23 . C2' . 23 . C3' . 23 . C4' parsed_1aju 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -5.0 5.0 . . 23 . C3' . 23 . C4' . 23 . O4' . 23 . C1' parsed_1aju 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.0 -35.0 . . 25 . C1' . 25 . C2' . 25 . C3' . 25 . C4' parsed_1aju 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -5.0 5.0 . . 25 . C3' . 25 . C4' . 25 . O4' . 25 . C1' parsed_1aju 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.0 -35.0 . . 30 . C1' . 30 . C2' . 30 . C3' . 30 . C4' parsed_1aju 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -5.0 5.0 . . 30 . C3' . 30 . C4' . 30 . O4' . 30 . C1' parsed_1aju 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.0 -35.0 . . 31 . C1' . 31 . C2' . 31 . C3' . 31 . C4' parsed_1aju 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -5.0 5.0 . . 31 . C3' . 31 . C4' . 31 . O4' . 31 . C1' parsed_1aju 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.0 -35.0 . . 32 . C1' . 32 . C2' . 32 . C3' . 32 . C4' parsed_1aju 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -5.0 5.0 . . 33 . C3' . 33 . C4' . 33 . O4' . 33 . C1' parsed_1aju 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.0 -35.0 . . 33 . C1' . 33 . C2' . 33 . C3' . 33 . C4' parsed_1aju 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.0 -35.0 . . 34 . C1' . 34 . C2' . 34 . C3' . 34 . C4' parsed_1aju 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -5.0 5.0 . . 34 . C3' . 34 . C4' . 34 . O4' . 34 . C1' parsed_1aju 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 77.0 87.0 . . 16 . C5' . 16 . C4' . 16 . C3' . 16 . O3' parsed_1aju 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 33.0 43.0 . . 16 . C1' . 16 . C2' . 16 . C3' . 16 . C4' parsed_1aju 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 77.0 87.0 . . 17 . C5' . 17 . C4' . 17 . C3' . 17 . O3' parsed_1aju 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 33.0 43.0 . . 17 . C1' . 17 . C2' . 17 . C3' . 17 . C4' parsed_1aju 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 77.0 87.0 . . 18 . C5' . 18 . C4' . 18 . C3' . 18 . O3' parsed_1aju 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 33.0 43.0 . . 18 . C1' . 18 . C2' . 18 . C3' . 18 . C4' parsed_1aju 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 77.0 87.0 . . 19 . C5' . 19 . C5' . 19 . C3' . 19 . O3' parsed_1aju 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 33.0 43.0 . . 19 . C1' . 19 . C2' . 19 . C3' . 19 . C4' parsed_1aju 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 77.0 87.0 . . 20 . C5' . 20 . C4' . 20 . C3' . 20 . O3' parsed_1aju 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 33.0 43.0 . . 20 . C1' . 20 . C2' . 20 . C3' . 20 . C4' parsed_1aju 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 77.0 87.0 . . 21 . C5' . 21 . C4' . 21 . C3' . 21 . O3' parsed_1aju 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 33.0 43.0 . . 21 . C1' . 21 . C2' . 21 . C3' . 21 . C4' parsed_1aju 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 77.0 87.0 . . 22 . C5' . 22 . C4' . 22 . C3' . 22 . O3' parsed_1aju 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 33.0 43.0 . . 22 . C1' . 22 . C2' . 22 . C3' . 22 . C4' parsed_1aju 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 77.0 87.0 . . 26 . C5' . 26 . C4' . 26 . C3' . 26 . O3' parsed_1aju 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 33.0 43.0 . . 26 . C1' . 26 . C2' . 26 . C3' . 26 . C4' parsed_1aju 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 77.0 87.0 . . 27 . C5' . 27 . C4' . 27 . C3' . 27 . O3' parsed_1aju 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 33.0 43.0 . . 27 . C1' . 27 . C2' . 27 . C3' . 27 . C4' parsed_1aju 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 77.0 87.0 . . 28 . C5' . 28 . C4' . 28 . C3' . 28 . O3' parsed_1aju 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 33.0 43.0 . . 28 . C1' . 28 . C2' . 28 . C3' . 28 . C4' parsed_1aju 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 77.0 87.0 . . 29 . C5' . 29 . C4' . 29 . C3' . 29 . O3' parsed_1aju 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 33.0 43.0 . . 29 . C1' . 29 . C2' . 29 . C3' . 29 . C4' parsed_1aju 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 77.0 87.0 . . 36 . C5' . 36 . C4' . 36 . C3' . 36 . O3' parsed_1aju 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 33.0 43.0 . . 36 . C1' . 36 . C2' . 36 . C3' . 36 . C4' parsed_1aju 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 77.0 87.0 . . 37 . C5' . 37 . C4' . 37 . C3' . 37 . O3' parsed_1aju 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 33.0 43.0 . . 37 . C1' . 37 . C2' . 37 . C3' . 37 . C4' parsed_1aju 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 77.0 87.0 . . 38 . C5' . 38 . C4' . 38 . C3' . 38 . O3' parsed_1aju 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 77.0 87.0 . . 39 . C5' . 39 . C4' . 39 . C3' . 39 . O3' parsed_1aju 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 33.0 43.0 . . 39 . C1' . 39 . C2' . 39 . C3' . 39 . C4' parsed_1aju 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 77.0 87.0 . . 40 . C5' . 40 . C4' . 40 . C3' . 40 . O3' parsed_1aju 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 33.0 43.0 . . 40 . C1' . 40 . C2' . 40 . C3' . 40 . C4' parsed_1aju 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 77.0 87.0 . . 41 . C5' . 41 . C4' . 41 . C3' . 41 . O3' parsed_1aju 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 33.0 43.0 . . 41 . C1' . 41 . C2' . 41 . C3' . 41 . C4' parsed_1aju 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 77.0 87.0 . . 42 . C5' . 42 . C4' . 42 . C3' . 42 . O3' parsed_1aju 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 33.0 43.0 . . 42 . C1' . 42 . C2' . 42 . C3' . 42 . C4' parsed_1aju 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 77.0 87.0 . . 43 . C5' . 43 . C4' . 43 . C3' . 43 . O3' parsed_1aju 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 33.0 43.0 . . 43 . C1' . 43 . C2' . 43 . C3' . 43 . C4' parsed_1aju 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 77.0 87.0 . . 44 . C5' . 44 . C4' . 44 . C3' . 44 . O3' parsed_1aju 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 33.0 43.0 . . 44 . C1' . 44 . C2' . 44 . C3' . 44 . C4' parsed_1aju 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 77.0 87.0 . . 45 . C5' . 45 . C4' . 45 . C3' . 45 . O3' parsed_1aju 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 33.0 43.0 . . 45 . C1' . 45 . C2' . 45 . C3' . 45 . C4' parsed_1aju 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 77.0 87.0 . . 46 . C5' . 46 . C4' . 46 . C3' . 46 . O3' parsed_1aju 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 33.0 43.0 . . 46 . C1' . 46 . C2' . 46 . C3' . 46 . C4' parsed_1aju 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -20.0 . . 26 . O5' . 26 . C5' . 26 . C4' . 26 . C3' parsed_1aju 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 120.0 . . 23 . P . 23 . O5' . 23 . C5' . 23 . C4' parsed_1aju 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 120.0 . . 25 . P . 25 . O5' . 25 . C5' . 25 . C4' parsed_1aju 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 120.0 . . 26 . P . 26 . O5' . 26 . C5' . 26 . C4' parsed_1aju 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
;
non-A helix deltas - C2' endo puckers
removed A35 pucker restraint ... weak cosy and very weak DQ - HAHB restraint
c2'endo puckers
;
5 1 7 17 parsed_1aju 1
2 "A- helix deltas and nu2 only for C3' endo pucker" 74 1 74 51 parsed_1aju 1
3 "gamma torsions ... restrain G26 to be not gauche+" 291 1 291 51 parsed_1aju 1
4 "beta torsions ... for H5' and H5'' HP xpeaks" 298 1 298 46 parsed_1aju 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
dihedral
reset
;
1 1 4 13 parsed_1aju 1
stop_
save_