NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
517488 |
2lbq   |
17572 | cing | 2-parsed | STAR | dihedral angle | 122 |
data_2lbq_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2lbq
_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_2lbq 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2lbq
_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 2lbq "Master copy" parsed_2lbq
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2lbq
_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 2lbq.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2lbq 1
1 2lbq.mr . . XPLOR/CNS 2 distance NOE simple 278 parsed_2lbq 1
1 2lbq.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 3 parsed_2lbq 1
1 2lbq.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 122 parsed_2lbq 1
1 2lbq.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 0 parsed_2lbq 1
1 2lbq.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2lbq 1
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2lbq
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 4
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -125.0 -5.0 . . 1 . O3' . 2 . P . 2 . O5' . 2 . C5' parsed_2lbq 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -125.0 -5.0 . . 1 . O3' . 2 . P . 2 . O5' . 2 . C5' parsed_2lbq 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -125.0 -5.0 . . 2 . O3' . 3 . P . 3 . O5' . 3 . C5' parsed_2lbq 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -125.0 -5.0 . . 3 . O3' . 4 . P . 4 . O5' . 4 . C5' parsed_2lbq 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -125.0 -5.0 . . 4 . O3' . 5 . P . 5 . O5' . 5 . C5' parsed_2lbq 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -125.0 -5.0 . . 5 . O3' . 6 . P . 6 . O5' . 6 . C5' parsed_2lbq 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -139.0 -19.0 . . 6 . O3' . 7 . P . 7 . O5' . 7 . C5' parsed_2lbq 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -125.0 -5.0 . . 10 . O3' . 11 . P . 11 . O5' . 11 . C5' parsed_2lbq 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -125.0 -5.0 . . 11 . O3' . 12 . P . 12 . O5' . 12 . C5' parsed_2lbq 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -125.0 -5.0 . . 12 . O3' . 13 . P . 13 . O5' . 13 . C5' parsed_2lbq 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -125.0 -5.0 . . 13 . O3' . 14 . P . 14 . O5' . 14 . C5' parsed_2lbq 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -125.0 -5.0 . . 14 . O3' . 15 . P . 15 . O5' . 15 . C5' parsed_2lbq 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -125.0 -5.0 . . 15 . O3' . 16 . P . 16 . O5' . 16 . C5' parsed_2lbq 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -125.0 -5.0 . . 16 . O3' . 17 . P . 17 . O5' . 17 . C5' parsed_2lbq 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -220.0 -140.0 . . 1 . P . 1 . O5' . 1 . C5' . 1 . C4' parsed_2lbq 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -220.0 -140.0 . . 2 . P . 2 . O5' . 2 . C5' . 2 . C4' parsed_2lbq 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -220.0 -140.0 . . 3 . P . 3 . O5' . 3 . C5' . 3 . C4' parsed_2lbq 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -220.0 -140.0 . . 4 . P . 4 . O5' . 4 . C5' . 4 . C4' parsed_2lbq 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -220.0 -140.0 . . 5 . P . 5 . O5' . 5 . C5' . 5 . C4' parsed_2lbq 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -220.0 -140.0 . . 6 . P . 6 . O5' . 6 . C5' . 6 . C4' parsed_2lbq 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -220.0 -140.0 . . 7 . P . 7 . O5' . 7 . C5' . 7 . C4' parsed_2lbq 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -230.0 -110.0 . . 8 . P . 8 . O5' . 8 . C5' . 8 . C4' parsed_2lbq 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -220.0 -140.0 . . 11 . P . 11 . O5' . 11 . C5' . 11 . C4' parsed_2lbq 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -220.0 -140.0 . . 12 . P . 12 . O5' . 12 . C5' . 12 . C4' parsed_2lbq 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -220.0 -140.0 . . 13 . P . 13 . O5' . 13 . C5' . 13 . C4' parsed_2lbq 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -220.0 -140.0 . . 14 . P . 14 . O5' . 14 . C5' . 14 . C4' parsed_2lbq 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -220.0 -140.0 . . 15 . P . 15 . O5' . 15 . C5' . 15 . C4' parsed_2lbq 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -220.0 -140.0 . . 16 . P . 16 . O5' . 16 . C5' . 16 . C4' parsed_2lbq 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -220.0 -140.0 . . 17 . P . 17 . O5' . 17 . C5' . 17 . C4' parsed_2lbq 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -110.0 . . 1 . C4' . 1 . C3' . 1 . O3' . 2 . P parsed_2lbq 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -110.0 . . 2 . C4' . 2 . C3' . 2 . O3' . 3 . P parsed_2lbq 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -110.0 . . 3 . C4' . 3 . C3' . 3 . O3' . 4 . P parsed_2lbq 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -110.0 . . 4 . C4' . 4 . C3' . 4 . O3' . 5 . P parsed_2lbq 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -110.0 . . 5 . C4' . 5 . C3' . 5 . O3' . 6 . P parsed_2lbq 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -110.0 . . 6 . C4' . 6 . C3' . 6 . O3' . 7 . P parsed_2lbq 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -215.0 -135.0 . . 7 . C4' . 7 . C3' . 7 . O3' . 8 . P parsed_2lbq 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -110.0 . . 11 . C4' . 11 . C3' . 11 . O3' . 12 . P parsed_2lbq 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -110.0 . . 12 . C4' . 12 . C3' . 12 . O3' . 13 . P parsed_2lbq 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -110.0 . . 13 . C4' . 13 . C3' . 13 . O3' . 14 . P parsed_2lbq 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -110.0 . . 14 . C4' . 14 . C3' . 14 . O3' . 15 . P parsed_2lbq 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -110.0 . . 15 . C4' . 15 . C3' . 15 . O3' . 16 . P parsed_2lbq 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -110.0 . . 16 . C4' . 16 . C3' . 16 . O3' . 17 . P parsed_2lbq 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.0 -15.0 . . 1 . C3' . 1 . O3' . 2 . P . 2 . O5' parsed_2lbq 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.0 -15.0 . . 2 . C3' . 2 . O3' . 3 . P . 3 . O5' parsed_2lbq 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.0 -15.0 . . 3 . C3' . 3 . O3' . 4 . P . 4 . O5' parsed_2lbq 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.0 -15.0 . . 4 . C3' . 4 . O3' . 5 . P . 5 . O5' parsed_2lbq 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.0 -15.0 . . 5 . C3' . 5 . O3' . 6 . P . 6 . O5' parsed_2lbq 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.0 -15.0 . . 6 . C3' . 6 . O3' . 7 . P . 7 . O5' parsed_2lbq 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.0 27.0 . . 7 . C3' . 7 . O3' . 8 . P . 8 . O5' parsed_2lbq 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.0 -15.0 . . 11 . C3' . 11 . O3' . 12 . P . 12 . O5' parsed_2lbq 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.0 -15.0 . . 12 . C3' . 12 . O3' . 13 . P . 13 . O5' parsed_2lbq 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.0 -15.0 . . 13 . C3' . 13 . O3' . 14 . P . 14 . O5' parsed_2lbq 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.0 -15.0 . . 14 . C3' . 14 . O3' . 15 . P . 15 . O5' parsed_2lbq 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.0 -15.0 . . 15 . C3' . 15 . O3' . 16 . P . 16 . O5' parsed_2lbq 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.0 -15.0 . . 16 . C3' . 16 . O3' . 17 . P . 17 . O5' parsed_2lbq 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -39.1 -33.1 . . 1 . O4' . 1 . C4' . 1 . C3' . 1 . C2' parsed_2lbq 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34.3 40.3 . . 1 . C4' . 1 . C3' . 1 . C2' . 1 . C1' parsed_2lbq 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -28.8 -22.8 . . 1 . C3' . 1 . C2' . 1 . C1' . 1 . O4' parsed_2lbq 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -39.1 -33.1 . . 2 . O4' . 2 . C4' . 2 . C3' . 2 . C2' parsed_2lbq 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34.3 40.3 . . 2 . C4' . 2 . C3' . 2 . C2' . 2 . C1' parsed_2lbq 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -28.8 -22.8 . . 2 . C3' . 2 . C2' . 2 . C1' . 2 . O4' parsed_2lbq 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -39.1 -33.1 . . 3 . O4' . 3 . C4' . 3 . C3' . 3 . C2' parsed_2lbq 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34.3 40.3 . . 3 . C4' . 3 . C3' . 3 . C2' . 3 . C1' parsed_2lbq 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -28.8 -22.8 . . 3 . C3' . 3 . C2' . 3 . C1' . 3 . O4' parsed_2lbq 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -39.1 -33.1 . . 4 . O4' . 4 . C4' . 4 . C3' . 4 . C2' parsed_2lbq 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34.3 40.3 . . 4 . C4' . 4 . C3' . 4 . C2' . 4 . C1' parsed_2lbq 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -28.8 -22.8 . . 4 . C3' . 4 . C2' . 4 . C1' . 4 . O4' parsed_2lbq 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -39.1 -33.1 . . 5 . O4' . 5 . C4' . 5 . C3' . 5 . C2' parsed_2lbq 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34.3 40.3 . . 5 . C4' . 5 . C3' . 5 . C2' . 5 . C1' parsed_2lbq 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -28.8 -22.8 . . 5 . C3' . 5 . C2' . 5 . C1' . 5 . O4' parsed_2lbq 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -39.1 -33.1 . . 6 . O4' . 6 . C4' . 6 . C3' . 6 . C2' parsed_2lbq 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34.3 40.3 . . 6 . C4' . 6 . C3' . 6 . C2' . 6 . C1' parsed_2lbq 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -28.8 -22.8 . . 6 . C3' . 6 . C2' . 6 . C1' . 6 . O4' parsed_2lbq 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -39.1 -33.1 . . 7 . O4' . 7 . C4' . 7 . C3' . 7 . C2' parsed_2lbq 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34.3 40.3 . . 7 . C4' . 7 . C3' . 7 . C2' . 7 . C1' parsed_2lbq 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -28.8 -22.8 . . 7 . C3' . 7 . C2' . 7 . C1' . 7 . O4' parsed_2lbq 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -39.1 -33.1 . . 8 . O4' . 8 . C4' . 8 . C3' . 8 . C2' parsed_2lbq 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34.3 40.3 . . 8 . C4' . 8 . C3' . 8 . C2' . 8 . C1' parsed_2lbq 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -28.8 -22.8 . . 8 . C3' . 8 . C2' . 8 . C1' . 8 . O4' parsed_2lbq 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.3 36.3 . . 9 . O4' . 9 . C4' . 9 . C3' . 9 . C2' parsed_2lbq 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.9 -31.9 . . 9 . C4' . 9 . C3' . 9 . C2' . 9 . C1' parsed_2lbq 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21.9 27.9 . . 9 . C3' . 9 . C2' . 9 . C1' . 9 . O4' parsed_2lbq 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -39.1 -33.1 . . 10 . O4' . 10 . C4' . 10 . C3' . 10 . C2' parsed_2lbq 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34.3 40.3 . . 10 . C4' . 10 . C3' . 10 . C2' . 10 . C1' parsed_2lbq 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -28.8 -22.8 . . 10 . C3' . 10 . C2' . 10 . C1' . 10 . O4' parsed_2lbq 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -39.1 -33.1 . . 11 . O4' . 11 . C4' . 11 . C3' . 11 . C2' parsed_2lbq 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34.3 40.3 . . 11 . C4' . 11 . C3' . 11 . C2' . 11 . C1' parsed_2lbq 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -28.8 -22.8 . . 11 . C3' . 11 . C2' . 11 . C1' . 11 . O4' parsed_2lbq 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -39.1 -33.1 . . 12 . O4' . 12 . C4' . 12 . C3' . 12 . C2' parsed_2lbq 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34.3 40.3 . . 12 . C4' . 12 . C3' . 12 . C2' . 12 . C1' parsed_2lbq 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -28.8 -22.8 . . 12 . C3' . 12 . C2' . 12 . C1' . 12 . O4' parsed_2lbq 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -39.1 -33.1 . . 13 . O4' . 13 . C4' . 13 . C3' . 13 . C2' parsed_2lbq 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34.3 40.3 . . 13 . C4' . 13 . C3' . 13 . C2' . 13 . C1' parsed_2lbq 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -28.8 -22.8 . . 13 . C3' . 13 . C2' . 13 . C1' . 13 . O4' parsed_2lbq 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -39.1 -33.1 . . 14 . O4' . 14 . C4' . 14 . C3' . 14 . C2' parsed_2lbq 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34.3 40.3 . . 14 . C4' . 14 . C3' . 14 . C2' . 14 . C1' parsed_2lbq 1
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -28.8 -22.8 . . 14 . C3' . 14 . C2' . 14 . C1' . 14 . O4' parsed_2lbq 1
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -39.1 -33.1 . . 15 . O4' . 15 . C4' . 15 . C3' . 15 . C2' parsed_2lbq 1
99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34.3 40.3 . . 15 . C4' . 15 . C3' . 15 . C2' . 15 . C1' parsed_2lbq 1
100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -28.8 -22.8 . . 15 . C3' . 15 . C2' . 15 . C1' . 15 . O4' parsed_2lbq 1
101 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -39.1 -33.1 . . 16 . O4' . 16 . C4' . 16 . C3' . 16 . C2' parsed_2lbq 1
102 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34.3 40.3 . . 16 . C4' . 16 . C3' . 16 . C2' . 16 . C1' parsed_2lbq 1
103 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -28.8 -22.8 . . 16 . C3' . 16 . C2' . 16 . C1' . 16 . O4' parsed_2lbq 1
104 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -39.1 -33.1 . . 17 . O4' . 17 . C4' . 17 . C3' . 17 . C2' parsed_2lbq 1
105 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34.3 40.3 . . 17 . C4' . 17 . C3' . 17 . C2' . 17 . C1' parsed_2lbq 1
106 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -28.8 -22.8 . . 17 . C3' . 17 . C2' . 17 . C1' . 17 . O4' parsed_2lbq 1
107 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 175.0 185.0 . . 1 . C5 . 1 . C6 . 1 . N1 . 17 . C6 parsed_2lbq 1
108 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 175.0 185.0 . . 17 . C5 . 17 . C4 . 17 . N3 . 1 . N1 parsed_2lbq 1
109 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 175.0 185.0 . . 1 . C5 . 1 . N1 . 17 . N3 . 17 . N1 parsed_2lbq 1
110 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 175.0 185.0 . . 2 . C5 . 2 . C6 . 2 . N1 . 16 . C6 parsed_2lbq 1
111 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 175.0 185.0 . . 16 . C5 . 16 . C4 . 16 . N3 . 2 . N1 parsed_2lbq 1
112 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 175.0 185.0 . . 2 . C5 . 2 . N1 . 16 . N3 . 16 . N1 parsed_2lbq 1
113 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 175.0 185.0 . . 3 . C5 . 3 . C6 . 3 . N1 . 15 . C6 parsed_2lbq 1
114 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 175.0 185.0 . . 15 . C5 . 15 . C4 . 15 . N3 . 3 . N1 parsed_2lbq 1
115 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 175.0 185.0 . . 3 . C5 . 3 . N1 . 15 . N3 . 15 . N1 parsed_2lbq 1
116 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 175.0 185.0 . . 4 . C5 . 4 . C6 . 4 . N1 . 14 . C6 parsed_2lbq 1
117 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 175.0 185.0 . . 14 . C5 . 14 . C4 . 14 . N3 . 4 . N1 parsed_2lbq 1
118 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 175.0 185.0 . . 4 . C5 . 4 . N1 . 14 . N3 . 14 . N1 parsed_2lbq 1
119 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 175.0 185.0 . . 5 . C5 . 5 . C6 . 5 . N1 . 13 . C6 parsed_2lbq 1
120 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 175.0 185.0 . . 13 . C5 . 13 . C4 . 13 . N3 . 5 . N1 parsed_2lbq 1
121 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 175.0 185.0 . . 6 . C6 . 6 . N1 . 6 . C2 . 12 . C4 parsed_2lbq 1
122 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 175.0 185.0 . . 12 . C5 . 12 . C6 . 12 . N1 . 6 . C2 parsed_2lbq 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
;
a summarize dihedral restraint table combined by
updated by jwang May-21-2009
Residue 8-10 form loop region
alpha
G1
;
1 1 9 4 parsed_2lbq 1
2 G2 14 1 15 4 parsed_2lbq 1
3 G3 20 1 21 4 parsed_2lbq 1
4 G4 26 1 27 4 parsed_2lbq 1
5 A5 32 1 33 4 parsed_2lbq 1
6 C6 39 1 39 4 parsed_2lbq 1
7 U7 44 1 45 4 parsed_2lbq 1
8 A11 50 1 51 5 parsed_2lbq 1
9 A12 56 1 57 5 parsed_2lbq 1
10 U13 62 1 63 5 parsed_2lbq 1
11 C14 68 1 70 5 parsed_2lbq 1
12 C15 75 1 76 5 parsed_2lbq 1
13 C16 81 1 82 5 parsed_2lbq 1
14 C17 87 1 88 5 parsed_2lbq 1
15
;
backbone beta constraints
updated 8/27/08
beta
G1
;
93 1 103 4 parsed_2lbq 1
16 G2 108 1 109 4 parsed_2lbq 1
17 G3 114 1 115 5 parsed_2lbq 1
18 G4 120 1 121 7 parsed_2lbq 1
19 A5 126 1 127 5 parsed_2lbq 1
20 C6 132 1 133 5 parsed_2lbq 1
21 U7 138 1 139 5 parsed_2lbq 1
22 8 144 1 145 4 parsed_2lbq 1
23
;
9
assign (resid 9 and name P )
(resid 9 and name O5')
(resid 9 and name C5')
(resid 9 and name C4') 1.0 -180.0 60.0 2
10
assign (resid 10 and name P )
(resid 10 and name O5')
(resid 10 and name C5')
(resid 10 and name C4') 1.0 -180.0 60.0 2
A11
;
150 1 163 6 parsed_2lbq 1
24 A12 168 1 169 5 parsed_2lbq 1
25 U13 174 1 175 8 parsed_2lbq 1
26 C14 180 1 181 6 parsed_2lbq 1
27 C15 186 1 187 6 parsed_2lbq 1
28 C16 192 1 193 8 parsed_2lbq 1
29 C17 198 1 199 8 parsed_2lbq 1
30
;
backbone gamma constraints SLX26
gamma
backbone epsilon constraints SLX26
updated 4/4/07
epsilon
G1
;
206 1 223 3 parsed_2lbq 1
31 G2 228 1 230 3 parsed_2lbq 1
32 "G3 (trans)" 235 1 237 3 parsed_2lbq 1
33 "G4 (trans)" 242 1 244 3 parsed_2lbq 1
34 A5 249 1 251 3 parsed_2lbq 1
35 C6 256 1 258 3 parsed_2lbq 1
36 U7 263 1 265 3 parsed_2lbq 1
37
;
8
assign (resid 8 and name C4')
(resid 8 and name C3')
(resid 8 and name O3')
(resid 9 and name P ) 1.0 -150.0 50.0 2
9
assign (resid 9 and name C4')
(resid 9 and name C3')
(resid 9 and name O3')
(resid 10 and name P ) 1.0 -150.0 50.0 2
10
assign (resid 10 and name C4')
(resid 10 and name C3')
(resid 10 and name O3')
(resid 11 and name P ) 1.0 -150.0 50.0 2
A11 (trans)
;
270 1 295 3 parsed_2lbq 1
38 "A12 (trans)" 300 1 302 3 parsed_2lbq 1
39 "U13 (trans)" 307 1 309 3 parsed_2lbq 1
40 "C14 (trans)" 315 1 317 3 parsed_2lbq 1
41 "C15 (trans)" 322 1 324 3 parsed_2lbq 1
42 C16 329 1 331 3 parsed_2lbq 1
43
;
backbone alpha and zeta constraints SLX26
updated 4/4/07
zeta
G1
;
339 1 348 3 parsed_2lbq 1
44 G2 353 1 355 3 parsed_2lbq 1
45 G3 360 1 362 3 parsed_2lbq 1
46 G4 367 1 369 3 parsed_2lbq 1
47 A5 374 1 376 3 parsed_2lbq 1
48 C6 381 1 383 3 parsed_2lbq 1
49 U7 388 1 390 3 parsed_2lbq 1
50 A11 396 1 398 3 parsed_2lbq 1
51 A12 403 1 405 3 parsed_2lbq 1
52 U13 410 1 412 3 parsed_2lbq 1
53 C14 417 1 419 3 parsed_2lbq 1
54 C15 424 1 426 3 parsed_2lbq 1
55 C16 431 1 433 3 parsed_2lbq 1
56
;
Sugar pucker constraints
G1 - C3' endo
;
440 1 444 3 parsed_2lbq 1
57 "G2 - C3' endo" 457 1 459 3 parsed_2lbq 1
58 "G3 - C3' endo" 472 1 474 3 parsed_2lbq 1
59 "G4 - C3' endo" 487 1 489 3 parsed_2lbq 1
60 "A5 - C3' endo" 502 1 504 3 parsed_2lbq 1
61 "C6 - C3' endo" 517 1 519 3 parsed_2lbq 1
62 "U7 - C3' endo" 532 1 534 3 parsed_2lbq 1
63 "G8 - C3' endo" 547 1 549 3 parsed_2lbq 1
64 "U9 - C3' endo" 562 1 564 3 parsed_2lbq 1
65 "A10 - C3' endo" 577 1 579 2 parsed_2lbq 1
66 "A11 - C3' endo" 593 1 595 2 parsed_2lbq 1
67 "A12 - C3' endo" 609 1 611 2 parsed_2lbq 1
68 "U13 - C3' endo" 624 1 626 3 parsed_2lbq 1
69 "C14 - C3' endo" 639 1 641 3 parsed_2lbq 1
70 "C15 - C3' endo" 654 1 656 3 parsed_2lbq 1
71 "C16 - C3' endo" 669 1 671 3 parsed_2lbq 1
72 "C17 - C3' endo" 684 1 686 2 parsed_2lbq 1
73
;
Base pair plane restraints
G1-C17
;
700 1 702 8 parsed_2lbq 1
74 G2-C16 717 1 719 8 parsed_2lbq 1
75 G3-C15 733 1 734 8 parsed_2lbq 1
76 G4-C14 747 1 748 8 parsed_2lbq 1
77 A5-U13 761 1 762 8 parsed_2lbq 1
78 C6-A12 771 1 772 8 parsed_2lbq 1
79
;
A11-U7
assign (resid 11 and name C5 )
(resid 11 and name C6 )
(resid 11 and name N1 )
(resid 7 and name N3 ) 1.0 180 5.0 2
assign (resid 11 and name C5 )
(resid 11 and name C6 )
(resid 11 and name N6 )
(resid 7 and name O4 ) 1.0 180 5.0 2
base-pairing constraints for the tyr stemloop
last updated 8/29/08 apd.
U9
G8 A10
U7 - A11
C6 - A12
A5 - U13
G4 - C14
G3 - C15
G2 - C16
G1 - C17
5' 3'
;
781 1 810 2 parsed_2lbq 1
stop_
save_
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