NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
35138 |
1l1v   |
cing | 2-parsed | STAR | dihedral angle | 31 |
data_1l1v_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1l1v
_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_1l1v 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1l1v
_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 1l1v "Master copy" parsed_1l1v
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1l1v
_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 1l1v.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1l1v 1
1 1l1v.mr . . DISCOVER 2 stereochemistry chirality "Not applicable" 0 parsed_1l1v 1
1 1l1v.mr . . DISCOVER 3 distance "hydrogen bond" simple 6 parsed_1l1v 1
1 1l1v.mr . . DISCOVER 4 distance NOE simple 177 parsed_1l1v 1
1 1l1v.mr . . DISCOVER 5 "dihedral angle" "Not applicable" "Not applicable" 31 parsed_1l1v 1
1 1l1v.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1l1v 1
stop_
save_
save_Discover_dihedral_5
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1l1v
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 1 G5' C4' 1 1 G5' C3' 1 1 G5' O3' 1 2 T P parsed_1l1v 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 2 T P 1 2 T O5' 1 2 T C5' 1 2 T C4' parsed_1l1v 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.000 90.000 . 1 2 T O5' 1 2 T C5' 1 2 T C4' 1 2 T C3' parsed_1l1v 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 2 T C4' 1 2 T C3' 1 2 T O3' 1 3 C P parsed_1l1v 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . 1 3 C P 1 3 C O5' 1 3 C C5' 1 3 C C4' parsed_1l1v 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.000 30.000 . 1 3 C O5' 1 3 C C5' 1 3 C C4' 1 3 C C3' parsed_1l1v 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 3 C C4' 1 3 C C3' 1 3 C O3' 1 4 A P parsed_1l1v 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 4 A P 1 4 A O5' 1 4 A C5' 1 4 A C4' parsed_1l1v 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.000 90.000 . 1 4 A O5' 1 4 A C5' 1 4 A C4' 1 4 A C3' parsed_1l1v 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.000 -120.000 . 1 4 A C4' 1 4 A C3' 1 4 A O3' 1 5 C P parsed_1l1v 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 5 C C4' 1 5 C C3' 1 5 C O3' 1 6 C P parsed_1l1v 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . 1 6 C P 1 6 C O5' 1 6 C C5' 1 6 C C4' parsed_1l1v 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.000 30.000 . 1 6 C O5' 1 6 C C5' 1 6 C C4' 1 6 C C3' parsed_1l1v 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.000 -50.000 . 1 6 C C4' 1 6 C C3' 1 6 C O3' 1 7 G P parsed_1l1v 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 7 G P 1 7 G O5' 1 7 G C5' 1 7 G C4' parsed_1l1v 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.000 90.000 . 1 7 G O5' 1 7 G C5' 1 7 G C4' 1 7 G C3' parsed_1l1v 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.000 -50.000 . 1 7 G C4' 1 7 G C3' 1 7 G O3' 1 8 A P parsed_1l1v 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 8 A P 1 8 A O5' 1 8 A C5' 1 8 A C4' parsed_1l1v 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.000 90.000 . 1 8 A O5' 1 8 A C5' 1 8 A C4' 1 8 A C3' parsed_1l1v 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 8 A C4' 1 8 A C3' 1 8 A O3' 1 9 C3' P parsed_1l1v 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 9 C3' P 1 9 C3' O5' 1 9 C3' C5' 1 9 C3' C4' parsed_1l1v 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.000 90.000 . 1 9 C3' O5' 1 9 C3' C5' 1 9 C3' C4' 1 9 C3' C3' parsed_1l1v 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.000 -70.000 . 1 1 G5' O4' 1 1 G5' C1' 1 1 G5' N9 1 1 G5' C4 parsed_1l1v 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.000 -70.000 . 1 2 T O4' 1 2 T C1' 1 2 T N1 1 2 T C2 parsed_1l1v 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.000 -70.000 . 1 3 C O4' 1 3 C C1' 1 3 C N1 1 3 C C2 parsed_1l1v 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.000 -70.000 . 1 4 A O4' 1 4 A C1' 1 4 A N9 1 4 A C4 parsed_1l1v 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.000 -70.000 . 1 5 C O4' 1 5 C C1' 1 5 C N1 1 5 C C2 parsed_1l1v 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.000 -70.000 . 1 6 C O4' 1 6 C C1' 1 6 C N1 1 6 C C2 parsed_1l1v 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.000 -70.000 . 1 7 G O4' 1 7 G C1' 1 7 G N9 1 7 G C4 parsed_1l1v 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.000 -70.000 . 1 8 A O4' 1 8 A C1' 1 8 A N9 1 8 A C4 parsed_1l1v 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.000 -70.000 . 1 9 C3' O4' 1 9 C3' C1' 1 9 C3' N1 1 9 C3' C2 parsed_1l1v 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
;
NMR_dihedral
1G
epsilon
;
1 1 3 9 parsed_1l1v 1
2
;
2T
beta
;
5 1 6 6 parsed_1l1v 1
3 gamma 8 1 8 7 parsed_1l1v 1
4 epsilon 10 1 10 9 parsed_1l1v 1
5
;
3C
beta
;
12 1 13 6 parsed_1l1v 1
6 gamma 15 1 15 7 parsed_1l1v 1
7 "epsilon = trans" 17 1 17 16 parsed_1l1v 1
8
;
!4A
beta
;
19 1 20 6 parsed_1l1v 1
9 gamma 22 1 22 7 parsed_1l1v 1
10 epsilon 24 1 24 9 parsed_1l1v 1
11
;
!5C
beta
1:C_5:P 1:C_5:O5' 1:C_5:C5' 1:C_5:C4' 150.000 -150.000 10.00 10.00 100.000
gamma
1:C_5:O5' 1:C_5:C5' 1:C_5:C4' 1:C_5:C3' 30.000 90.000 10.00 10.00 100.000
epsilon
;
26 1 31 9 parsed_1l1v 1
12
;
!6C
beta
;
33 1 34 6 parsed_1l1v 1
13 gamma 36 1 36 7 parsed_1l1v 1
14 epsilon 38 1 38 8 parsed_1l1v 1
15
;
!7G
beta
;
40 1 41 6 parsed_1l1v 1
16 gamma 43 1 43 7 parsed_1l1v 1
17 epsilon 45 1 45 9 parsed_1l1v 1
18
;
!8A
beta
;
47 1 48 6 parsed_1l1v 1
19 gamma 50 1 50 7 parsed_1l1v 1
20 epsilon 52 1 52 9 parsed_1l1v 1
21
;
9C
beta
;
54 1 55 6 parsed_1l1v 1
22 gamma 57 1 57 7 parsed_1l1v 1
23 "Chi ngles" 59 1 60 10 parsed_1l1v 1
stop_
save_
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