NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
526898 |
2ldl   |
17671 | cing | 2-parsed | STAR | dihedral angle | 158 |
data_2ldl_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2ldl
_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_2ldl 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2ldl
_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 2ldl "Master copy" parsed_2ldl
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2ldl
_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 2ldl.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2ldl 1
1 2ldl.mr . . XPLOR/CNS 2 distance NOE simple 389 parsed_2ldl 1
1 2ldl.mr . . XPLOR/CNS 3 distance "general distance" simple 7 parsed_2ldl 1
1 2ldl.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 7 parsed_2ldl 1
1 2ldl.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 158 parsed_2ldl 1
1 2ldl.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2ldl 1
stop_
save_
save_CNS/XPLOR_dihedral_5
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2ldl
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.0 165.0 . . 13 . c5' . 13 . c4' . 13 . c3' . 13 . o3' parsed_2ldl 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.0 165.0 . . 14 . c5' . 14 . c4' . 14 . c3' . 14 . o3' parsed_2ldl 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.0 165.0 . . 15 . c5' . 15 . c4' . 15 . c3' . 15 . o3' parsed_2ldl 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.0 165.0 . . 17 . c5' . 17 . c4' . 17 . c3' . 17 . o3' parsed_2ldl 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 100.0 . . 1 . c5' . 1 . c4' . 1 . c3' . 1 . o3' parsed_2ldl 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 100.0 . . 2 . c5' . 2 . c4' . 2 . c3' . 2 . o3' parsed_2ldl 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 100.0 . . 3 . c5' . 3 . c4' . 3 . c3' . 3 . o3' parsed_2ldl 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 100.0 . . 4 . c5' . 4 . c4' . 4 . c3' . 4 . o3' parsed_2ldl 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 100.0 . . 5 . c5' . 5 . c4' . 5 . c3' . 5 . o3' parsed_2ldl 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 100.0 . . 6 . c5' . 6 . c4' . 6 . c3' . 6 . o3' parsed_2ldl 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 100.0 . . 7 . c5' . 7 . c4' . 7 . c3' . 7 . o3' parsed_2ldl 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 100.0 . . 8 . c5' . 8 . c4' . 8 . c3' . 8 . o3' parsed_2ldl 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 100.0 . . 9 . c5' . 9 . c4' . 9 . c3' . 9 . o3' parsed_2ldl 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 100.0 . . 10 . c5' . 10 . c4' . 10 . c3' . 10 . o3' parsed_2ldl 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 100.0 . . 18 . c5' . 18 . c4' . 18 . c3' . 18 . o3' parsed_2ldl 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 100.0 . . 19 . c5' . 19 . c4' . 19 . c3' . 19 . o3' parsed_2ldl 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 100.0 . . 20 . c5' . 20 . c4' . 20 . c3' . 20 . o3' parsed_2ldl 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 100.0 . . 21 . c5' . 21 . c4' . 21 . c3' . 21 . o3' parsed_2ldl 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 100.0 . . 23 . c5' . 23 . c4' . 23 . c3' . 23 . o3' parsed_2ldl 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 100.0 . . 24 . c5' . 24 . c4' . 24 . c3' . 24 . o3' parsed_2ldl 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 100.0 . . 25 . c5' . 25 . c4' . 25 . c3' . 25 . o3' parsed_2ldl 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 100.0 . . 26 . c5' . 26 . c4' . 26 . c3' . 26 . o3' parsed_2ldl 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 100.0 . . 27 . c5' . 27 . c4' . 27 . c3' . 27 . o3' parsed_2ldl 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -60.0 . . 1 . O4' . 1 . C1' . 1 . N9 . 1 . C4 parsed_2ldl 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -60.0 . . 2 . O4' . 2 . C1' . 2 . N9 . 2 . C4 parsed_2ldl 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -60.0 . . 3 . O4' . 3 . C1' . 3 . N9 . 3 . C4 parsed_2ldl 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -60.0 . . 4 . O4' . 4 . C1' . 4 . N1 . 4 . C2 parsed_2ldl 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -60.0 . . 5 . O4' . 5 . C1' . 5 . N1 . 5 . C2 parsed_2ldl 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -60.0 . . 6 . O4' . 6 . C1' . 6 . N1 . 6 . C2 parsed_2ldl 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -60.0 . . 7 . O4' . 7 . C1' . 7 . N9 . 7 . C4 parsed_2ldl 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -60.0 . . 8 . O4' . 8 . C1' . 8 . N1 . 8 . C2 parsed_2ldl 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -60.0 . . 9 . O4' . 9 . C1' . 9 . N1 . 9 . C2 parsed_2ldl 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -60.0 . . 10 . O4' . 10 . C1' . 10 . N1 . 10 . C2 parsed_2ldl 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -60.0 . . 11 . O4' . 11 . C1' . 11 . N9 . 11 . C4 parsed_2ldl 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -60.0 . . 12 . O4' . 12 . C1' . 12 . N9 . 12 . C4 parsed_2ldl 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -60.0 . . 13 . O4' . 13 . C1' . 13 . N1 . 13 . C2 parsed_2ldl 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -60.0 . . 14 . O4' . 14 . C1' . 14 . N1 . 14 . C2 parsed_2ldl 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -60.0 . . 15 . O4' . 15 . C1' . 15 . N9 . 15 . C4 parsed_2ldl 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 90.0 . . 16 . O4' . 16 . C1' . 16 . N9 . 16 . C4 parsed_2ldl 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -60.0 . . 17 . O4' . 17 . C1' . 17 . N1 . 17 . C2 parsed_2ldl 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -60.0 . . 18 . O4' . 18 . C1' . 18 . N9 . 18 . C4 parsed_2ldl 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -60.0 . . 19 . O4' . 19 . C1' . 19 . N9 . 19 . C4 parsed_2ldl 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -60.0 . . 20 . O4' . 20 . C1' . 20 . N9 . 20 . C4 parsed_2ldl 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -60.0 . . 21 . O4' . 21 . C1' . 21 . N1 . 21 . C2 parsed_2ldl 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -60.0 . . 22 . O4' . 22 . C1' . 22 . N9 . 22 . C4 parsed_2ldl 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -60.0 . . 23 . O4' . 23 . C1' . 23 . N9 . 23 . C44 parsed_2ldl 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -60.0 . . 24 . O4' . 24 . C1' . 24 . N9 . 24 . C4 parsed_2ldl 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -60.0 . . 25 . O4' . 25 . C1' . 25 . N1 . 25 . C2 parsed_2ldl 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -60.0 . . 26 . O4' . 26 . C1' . 26 . N1 . 26 . C2 parsed_2ldl 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -60.0 . . 27 . O4' . 27 . C1' . 27 . N1 . 27 . C2 parsed_2ldl 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -150.0 . . 1 . c4' . 1 . c3' . 1 . o3' . 2 . p parsed_2ldl 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -60.0 . . 1 . c3' . 1 . o3' . 2 . p . 2 . o5' parsed_2ldl 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 1 . o3' . 2 . p . 2 . o5' . 2 . c5' parsed_2ldl 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 2 . p . 2 . o5' . 2 . c5' . 2 . c4' parsed_2ldl 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -140.0 . . 2 . c4' . 2 . c3' . 2 . o3' . 3 . p parsed_2ldl 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -50.0 . . 2 . c3' . 2 . o3' . 3 . p . 3 . o5' parsed_2ldl 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 2 . o3' . 3 . p . 3 . o5' . 3 . c5' parsed_2ldl 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 3 . p . 3 . o5' . 3 . c5' . 3 . c4' parsed_2ldl 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -140.0 . . 3 . c4' . 3 . c3' . 3 . o3' . 4 . p parsed_2ldl 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -50.0 . . 3 . c3' . 3 . o3' . 4 . p . 4 . o5' parsed_2ldl 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 3 . o3' . 4 . p . 4 . o5' . 4 . c5' parsed_2ldl 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 4 . p . 4 . o5' . 4 . c5' . 4 . c4' parsed_2ldl 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -140.0 . . 4 . c4' . 4 . c3' . 4 . o3' . 5 . p parsed_2ldl 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -50.0 . . 4 . c3' . 4 . o3' . 5 . p . 5 . o5' parsed_2ldl 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 4 . o3' . 5 . p . 5 . o5' . 5 . c5' parsed_2ldl 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 5 . p . 5 . o5' . 5 . c5' . 5 . c4' parsed_2ldl 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -140.0 . . 5 . c4' . 5 . c3' . 5 . o3' . 6 . p parsed_2ldl 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -50.0 . . 5 . c3' . 5 . o3' . 6 . p . 6 . o5' parsed_2ldl 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 5 . o3' . 6 . p . 6 . o5' . 6 . c5' parsed_2ldl 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 6 . p . 6 . o5' . 6 . c5' . 6 . c4' parsed_2ldl 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -140.0 . . 6 . c4' . 6 . c3' . 6 . o3' . 7 . p parsed_2ldl 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -50.0 . . 6 . c3' . 6 . o3' . 7 . p . 7 . o5' parsed_2ldl 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 6 . o3' . 7 . p . 7 . o5' . 7 . c5' parsed_2ldl 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 7 . p . 7 . o5' . 7 . c5' . 7 . c4' parsed_2ldl 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -140.0 . . 7 . c4' . 7 . c3' . 7 . o3' . 8 . p parsed_2ldl 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -50.0 . . 7 . c3' . 7 . o3' . 8 . p . 8 . o5' parsed_2ldl 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 7 . o3' . 8 . p . 8 . o5' . 8 . c5' parsed_2ldl 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 8 . p . 8 . o5' . 8 . c5' . 8 . c4' parsed_2ldl 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -140.0 . . 8 . c4' . 8 . c3' . 8 . o3' . 9 . p parsed_2ldl 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -50.0 . . 8 . c3' . 8 . o3' . 9 . p . 9 . o5' parsed_2ldl 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 8 . o3' . 9 . p . 9 . o5' . 9 . c5' parsed_2ldl 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 9 . p . 9 . o5' . 9 . c5' . 9 . c4' parsed_2ldl 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -140.0 . . 9 . c4' . 9 . c3' . 9 . o3' . 10 . p parsed_2ldl 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -50.0 . . 9 . c3' . 9 . o3' . 10 . p . 10 . o5' parsed_2ldl 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 9 . o3' . 10 . p . 10 . o5' . 10 . c5' parsed_2ldl 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 10 . p . 10 . o5' . 10 . c5' . 10 . c4' parsed_2ldl 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -140.0 . . 10 . c4' . 10 . c3' . 10 . o3' . 11 . p parsed_2ldl 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -50.0 . . 10 . c3' . 10 . o3' . 11 . p . 11 . o5' parsed_2ldl 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 10 . o3' . 11 . p . 11 . o5' . 11 . c5' parsed_2ldl 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 240.0 . . 11 . p . 11 . o5' . 11 . c5' . 11 . c4' parsed_2ldl 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -140.0 . . 11 . c4' . 11 . c3' . 11 . o3' . 12 . p parsed_2ldl 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.0 -10.0 . . 11 . c3' . 11 . o3' . 12 . p . 12 . o5' parsed_2ldl 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 11 . o3' . 12 . p . 12 . o5' . 12 . c5' parsed_2ldl 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 12 . p . 12 . o5' . 12 . c5' . 12 . c4' parsed_2ldl 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -140.0 . . 12 . c4' . 12 . c3' . 12 . o3' . 13 . p parsed_2ldl 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -50.0 . . 12 . c3' . 12 . o3' . 13 . p . 13 . o5' parsed_2ldl 1
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 12 . o3' . 13 . p . 13 . o5' . 13 . c5' parsed_2ldl 1
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 13 . p . 13 . o5' . 13 . c5' . 13 . c4' parsed_2ldl 1
99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -140.0 . . 13 . c4' . 13 . c3' . 13 . o3' . 14 . p parsed_2ldl 1
100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 18 . p . 18 . o5' . 18 . c5' . 18 . c4' parsed_2ldl 1
101 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -140.0 . . 18 . c4' . 18 . c3' . 18 . o3' . 19 . p parsed_2ldl 1
102 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -50.0 . . 18 . c3' . 18 . o3' . 19 . p . 19 . o5' parsed_2ldl 1
103 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 18 . o3' . 19 . p . 19 . o5' . 19 . c5' parsed_2ldl 1
104 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 19 . p . 19 . o5' . 19 . c5' . 19 . c4' parsed_2ldl 1
105 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -140.0 . . 19 . c4' . 19 . c3' . 19 . o3' . 20 . p parsed_2ldl 1
106 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -50.0 . . 19 . c3' . 19 . o3' . 20 . p . 20 . o5' parsed_2ldl 1
107 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 19 . o3' . 20 . p . 20 . o5' . 20 . c5' parsed_2ldl 1
108 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 20 . p . 20 . o5' . 20 . c5' . 20 . c4' parsed_2ldl 1
109 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -140.0 . . 20 . c4' . 20 . c3' . 20 . o3' . 21 . p parsed_2ldl 1
110 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -50.0 . . 20 . c3' . 20 . o3' . 21 . p . 21 . o5' parsed_2ldl 1
111 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 20 . o3' . 21 . p . 21 . o5' . 21 . c5' parsed_2ldl 1
112 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 21 . p . 21 . o5' . 21 . c5' . 21 . c4' parsed_2ldl 1
113 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -140.0 . . 21 . c4' . 21 . c3' . 21 . o3' . 22 . p parsed_2ldl 1
114 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -50.0 . . 21 . c3' . 21 . o3' . 22 . p . 22 . o5' parsed_2ldl 1
115 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 21 . o3' . 22 . p . 22 . o5' . 22 . c5' parsed_2ldl 1
116 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 22 . p . 22 . o5' . 22 . c5' . 22 . c4' parsed_2ldl 1
117 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -140.0 . . 22 . c4' . 22 . c3' . 22 . o3' . 23 . p parsed_2ldl 1
118 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -50.0 . . 22 . c3' . 22 . o3' . 23 . p . 23 . o5' parsed_2ldl 1
119 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 22 . o3' . 23 . p . 23 . o5' . 23 . c5' parsed_2ldl 1
120 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 23 . p . 23 . o5' . 23 . c5' . 23 . c4' parsed_2ldl 1
121 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -140.0 . . 23 . c4' . 23 . c3' . 23 . o3' . 24 . p parsed_2ldl 1
122 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -50.0 . . 23 . c3' . 23 . o3' . 24 . p . 24 . o5' parsed_2ldl 1
123 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 23 . o3' . 24 . p . 24 . o5' . 24 . c5' parsed_2ldl 1
124 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 24 . p . 24 . o5' . 24 . c5' . 24 . c4' parsed_2ldl 1
125 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -140.0 . . 24 . c4' . 24 . c3' . 24 . o3' . 25 . p parsed_2ldl 1
126 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -50.0 . . 24 . c3' . 24 . o3' . 25 . p . 25 . o5' parsed_2ldl 1
127 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 24 . o3' . 25 . p . 25 . o5' . 25 . c5' parsed_2ldl 1
128 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 25 . p . 25 . o5' . 25 . c5' . 25 . c4' parsed_2ldl 1
129 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -140.0 . . 25 . c4' . 25 . c3' . 25 . o3' . 26 . p parsed_2ldl 1
130 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -50.0 . . 25 . c3' . 25 . o3' . 26 . p . 26 . o5' parsed_2ldl 1
131 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 25 . o3' . 26 . p . 26 . o5' . 26 . c5' parsed_2ldl 1
132 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 26 . p . 26 . o5' . 26 . c5' . 26 . c4' parsed_2ldl 1
133 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -140.0 . . 26 . c4' . 26 . c3' . 26 . o3' . 27 . p parsed_2ldl 1
134 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -50.0 . . 26 . c3' . 26 . o3' . 27 . p . 27 . o5' parsed_2ldl 1
135 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 26 . o3' . 27 . p . 27 . o5' . 27 . c5' parsed_2ldl 1
136 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 27 . p . 27 . o5' . 27 . c5' . 27 . c4' parsed_2ldl 1
137 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 1 . o5' . 1 . c5' . 1 . c4' . 1 . c3' parsed_2ldl 1
138 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . . 2 . o5' . 2 . c5' . 2 . c4' . 2 . c3' parsed_2ldl 1
139 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . . 3 . o5' . 3 . c5' . 3 . c4' . 3 . c3' parsed_2ldl 1
140 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . . 4 . o5' . 4 . c5' . 4 . c4' . 4 . c3' parsed_2ldl 1
141 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . . 5 . o5' . 5 . c5' . 5 . c4' . 5 . c3' parsed_2ldl 1
142 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . . 6 . o5' . 6 . c5' . 6 . c4' . 6 . c3' parsed_2ldl 1
143 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . . 7 . o5' . 7 . c5' . 7 . c4' . 7 . c3' parsed_2ldl 1
144 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . . 8 . o5' . 8 . c5' . 8 . c4' . 8 . c3' parsed_2ldl 1
145 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . . 9 . o5' . 9 . c5' . 9 . c4' . 9 . c3' parsed_2ldl 1
146 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . . 10 . o5' . 10 . c5' . 10 . c4' . 10 . c3' parsed_2ldl 1
147 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . . 11 . o5' . 11 . c5' . 11 . c4' . 11 . c3' parsed_2ldl 1
148 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . . 12 . o5' . 12 . c5' . 12 . c4' . 12 . c3' parsed_2ldl 1
149 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . . 18 . o5' . 18 . c5' . 18 . c4' . 18 . c3' parsed_2ldl 1
150 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . . 19 . o5' . 19 . c5' . 19 . c4' . 19 . c3' parsed_2ldl 1
151 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . . 20 . o5' . 20 . c5' . 20 . c4' . 20 . c3' parsed_2ldl 1
152 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . . 21 . o5' . 21 . c5' . 21 . c4' . 21 . c3' parsed_2ldl 1
153 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . . 22 . o5' . 22 . c5' . 22 . c4' . 22 . c3' parsed_2ldl 1
154 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . . 23 . o5' . 23 . c5' . 23 . c4' . 23 . c3' parsed_2ldl 1
155 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . . 24 . o5' . 24 . c5' . 24 . c4' . 24 . c3' parsed_2ldl 1
156 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . . 25 . o5' . 25 . c5' . 25 . c4' . 25 . c3' parsed_2ldl 1
157 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . . 26 . o5' . 26 . c5' . 26 . c4' . 26 . c3' parsed_2ldl 1
158 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . . 27 . o5' . 27 . c5' . 27 . c4' . 27 . c3' parsed_2ldl 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
;
ESS3 sugar Pucker restraints; created by BST 07.26.10
Pucker is defined with ribose torsion angles nu1 and nu2.
nu1 = O4'-C1'-C2'-C3'
nu2 = C1'-C2'-C3'-C4'
"N" C3' endo:
nu1 = -20 +/- 10
nu2 = +35 +/- 5
"S" C2' endo:
nu1 = +35 +/- 5
nu2 = -35 +/- 5
See Saenger page 20.
C2' endo nucleotides:
Gua 11
{
assign (resid 11 and name O4')
(resid 11 and name C1')
(resid 11 and name C2')
(resid 11 and name C3') 1.0 35.0 5.0 2
assign (resid 11 and name C1')
(resid 11 and name C2')
(resid 11 and name C3')
(resid 11 and name C4') 1.0 -35.0 5.0 2
}
assign (resid 11 and name c5') (resid 11 and name c4')
(resid 11 and name c3') (resid 11 and name o3') 1.0 145.0 20.0 2
Ade 12
{
assign (resid 12 and name O4')
(resid 12 and name C1')
(resid 12 and name C2')
(resid 12 and name C3') 1.0 35.0 5.0 2
assign (resid 12 and name C1')
(resid 12 and name C2')
(resid 12 and name C3')
(resid 12 and name C4') 1.0 -35.0 5.0 2
}
assign (resid 12 and name c5') (resid 12 and name c4')
(resid 12 and name c3') (resid 12 and name o3') 1.0 145.0 20.0 2
Ura 13
;
1 1 42 9 parsed_2ldl 1
2
;
assign (resid 13 and name O4')
(resid 13 and name C1')
(resid 13 and name C2')
(resid 13 and name C3') 1.0 35.0 5.0 2
assign (resid 13 and name C1')
(resid 13 and name C2')
(resid 13 and name C3')
(resid 13 and name C4') 1.0 -35.0 5.0 2
;
43 1 43 1 parsed_2ldl 1
3 "Ura 14" 55 1 55 9 parsed_2ldl 1
4
;
assign (resid 14 and name O4')
(resid 14 and name C1')
(resid 14 and name C2')
(resid 14 and name C3') 1.0 35.0 5.0 2
assign (resid 14 and name C1')
(resid 14 and name C2')
(resid 14 and name C3')
(resid 14 and name C4') 1.0 -35.0 5.0 2
;
56 1 56 1 parsed_2ldl 1
5 "Ade 15" 68 1 69 9 parsed_2ldl 1
6
;
assign (resid 15 and name O4')
(resid 15 and name C1')
(resid 15 and name C2')
(resid 15 and name C3') 1.0 35.0 5.0 2
assign (resid 15 and name C1')
(resid 15 and name C2')
(resid 15 and name C3')
(resid 15 and name C4') 1.0 -35.0 5.0 2
;
70 1 70 1 parsed_2ldl 1
7
;
Gua 16
{
assign (resid 16 and name O4')
(resid 16 and name C1')
(resid 16 and name C2')
(resid 16 and name C3') 1.0 35.0 5.0 2
assign (resid 16 and name C1')
(resid 16 and name C2')
(resid 16 and name C3')
(resid 16 and name C4') 1.0 -35.0 5.0 2
}
assign (resid 16 and name c5') (resid 16 and name c4')
(resid 16 and name c3') (resid 16 and name o3') 1.0 145.0 20.0 2
Ura 17
;
82 1 95 9 parsed_2ldl 1
8
;
assign (resid 17 and name O4')
(resid 17 and name C1')
(resid 17 and name C2')
(resid 17 and name C3') 1.0 35.0 5.0 2
assign (resid 17 and name C1')
(resid 17 and name C2')
(resid 17 and name C3')
(resid 17 and name C4') 1.0 -35.0 5.0 2
;
96 1 96 1 parsed_2ldl 1
9
;
C3' endo nucleotides: ( everybody else )
Gua 1
;
108 1 112 9 parsed_2ldl 1
10
;
assign (resid 1 and name O4')
(resid 1 and name C1')
(resid 1 and name C2')
(resid 1 and name C3') 1.0 -20.0 10.0 2
assign (resid 1 and name C1')
(resid 1 and name C2')
(resid 1 and name C3')
(resid 1 and name C4') 1.0 35.0 1.0 2
;
113 1 113 1 parsed_2ldl 1
11 "Gua 2" 125 1 126 9 parsed_2ldl 1
12
;
assign (resid 2 and name O4')
(resid 2 and name C1')
(resid 2 and name C2')
(resid 2 and name C3') 1.0 -20.0 10.0 2
assign (resid 2 and name C1')
(resid 2 and name C2')
(resid 2 and name C3')
(resid 2 and name C4') 1.0 35.0 5.0 2
;
127 1 127 1 parsed_2ldl 1
13 "Ade 3" 139 1 140 9 parsed_2ldl 1
14
;
assign (resid 3 and name O4')
(resid 3 and name C1')
(resid 3 and name C2')
(resid 3 and name C3') 1.0 -20.0 10.0 2
assign (resid 3 and name C1')
(resid 3 and name C2')
(resid 3 and name C3')
(resid 3 and name C4') 1.0 35.0 5.0 2
;
141 1 141 1 parsed_2ldl 1
15 "Ura 4" 153 1 154 9 parsed_2ldl 1
16
;
assign (resid 4 and name O4')
(resid 4 and name C1')
(resid 4 and name C2')
(resid 4 and name C3') 1.0 -20.0 10.0 2
assign (resid 4 and name C1')
(resid 4 and name C2')
(resid 4 and name C3')
(resid 4 and name C4') 1.0 35.0 5.0 2
;
155 1 155 1 parsed_2ldl 1
17 "Cyt 5" 168 1 169 9 parsed_2ldl 1
18
;
assign (resid 5 and name O4')
(resid 5 and name C1')
(resid 5 and name C2')
(resid 5 and name C3') 1.0 -20.0 10.0 2
assign (resid 5 and name C1')
(resid 5 and name C2')
(resid 5 and name C3')
(resid 5 and name C4') 1.0 35.0 5.0 2
;
170 1 170 1 parsed_2ldl 1
19 "Cyt 6" 182 1 182 9 parsed_2ldl 1
20
;
assign (resid 6 and name O4')
(resid 6 and name C1')
(resid 6 and name C2')
(resid 6 and name C3') 1.0 -20.0 10.0 2
assign (resid 6 and name C1')
(resid 6 and name C2')
(resid 6 and name C3')
(resid 6 and name C4') 1.0 35.0 5.0 2
;
183 1 183 1 parsed_2ldl 1
21 "Ade 7" 195 1 195 9 parsed_2ldl 1
22
;
assign (resid 7 and name O4')
(resid 7 and name C1')
(resid 7 and name C2')
(resid 7 and name C3') 1.0 -20.0 10.0 2
assign (resid 7 and name C1')
(resid 7 and name C2')
(resid 7 and name C3')
(resid 7 and name C4') 1.0 35.0 5.0 2
;
196 1 196 1 parsed_2ldl 1
23 "Ura 8" 208 1 209 9 parsed_2ldl 1
24
;
assign (resid 8 and name O4')
(resid 8 and name C1')
(resid 8 and name C2')
(resid 8 and name C3') 1.0 -20.0 10.0 2
assign (resid 8 and name C1')
(resid 8 and name C2')
(resid 8 and name C3')
(resid 8 and name C4') 1.0 35.0 5.0 2
;
210 1 210 1 parsed_2ldl 1
25 "Ura 9" 222 1 223 9 parsed_2ldl 1
26
;
assign (resid 9 and name O4')
(resid 9 and name C1')
(resid 9 and name C2')
(resid 9 and name C3') 1.0 -20.0 10.0 2
assign (resid 9 and name C1')
(resid 9 and name C2')
(resid 9 and name C3')
(resid 9 and name C4') 1.0 35.0 5.0 2
;
224 1 224 1 parsed_2ldl 1
27 "Cyt 10" 236 1 237 9 parsed_2ldl 1
28
;
assign (resid 10 and name O4')
(resid 10 and name C1')
(resid 10 and name C2')
(resid 10 and name C3') 1.0 -20.0 10.0 2
assign (resid 10 and name C1')
(resid 10 and name C2')
(resid 10 and name C3')
(resid 10 and name C4') 1.0 35.0 5.0 2
;
238 1 238 1 parsed_2ldl 1
29 "Gua 18" 250 1 251 9 parsed_2ldl 1
30
;
assign (resid 18 and name O4')
(resid 18 and name C1')
(resid 18 and name C2')
(resid 18 and name C3') 1.0 -20.0 10.0 2
assign (resid 18 and name C1')
(resid 18 and name C2')
(resid 18 and name C3')
(resid 18 and name C4') 1.0 35.0 5.0 2
;
252 1 252 1 parsed_2ldl 1
31 "Ade 19" 264 1 265 9 parsed_2ldl 1
32
;
assign (resid 19 and name O4')
(resid 19 and name C1')
(resid 19 and name C2')
(resid 19 and name C3') 1.0 -20.0 10.0 2
assign (resid 19 and name C1')
(resid 19 and name C2')
(resid 19 and name C3')
(resid 19 and name C4') 1.0 35.0 5.0 2
;
266 1 266 1 parsed_2ldl 1
33 "Ade 20" 278 1 278 9 parsed_2ldl 1
34
;
assign (resid 20 and name O4')
(resid 20 and name C1')
(resid 20 and name C2')
(resid 20 and name C3') 1.0 -20.0 10.0 2
assign (resid 20 and name C1')
(resid 20 and name C2')
(resid 20 and name C3')
(resid 20 and name C4') 1.0 35.0 5.0 2
;
279 1 279 1 parsed_2ldl 1
35 "Cyt 21" 291 1 292 9 parsed_2ldl 1
36
;
assign (resid 21 and name O4')
(resid 21 and name C1')
(resid 21 and name C2')
(resid 21 and name C3') 1.0 -20.0 10.0 2
assign (resid 21 and name C1')
(resid 21 and name C2')
(resid 21 and name C3')
(resid 21 and name C4') 1.0 35.0 5.0 2
;
293 1 293 1 parsed_2ldl 1
37 "Gua 22" 305 1 306 9 parsed_2ldl 1
38
;
assign (resid 22 and name O4')
(resid 22 and name C1')
(resid 22 and name C2')
(resid 22 and name C3') 1.0 -20.0 10.0 2
assign (resid 22 and name C1')
(resid 22 and name C2')
(resid 22 and name C3')
(resid 22 and name C4') 1.0 35.0 5.0 2
;
307 1 307 1 parsed_2ldl 1
39
;
assign (resid 22 and name c5') (resid 22 and name c4')
(resid 22 and name c3') (resid 22 and name o3') 1.0 80.0 20.0 2
Gua 23
;
317 1 320 9 parsed_2ldl 1
40
;
assign (resid 23 and name O4')
(resid 23 and name C1')
(resid 23 and name C2')
(resid 23 and name C3') 1.0 -20.0 10.0 2
assign (resid 23 and name C1')
(resid 23 and name C2')
(resid 23 and name C3')
(resid 23 and name C4') 1.0 35.0 5.0 2
;
321 1 321 1 parsed_2ldl 1
41 "Ade 24" 333 1 333 9 parsed_2ldl 1
42
;
assign (resid 24 and name O4')
(resid 24 and name C1')
(resid 24 and name C2')
(resid 24 and name C3') 1.0 -20.0 10.0 2
assign (resid 24 and name C1')
(resid 24 and name C2')
(resid 24 and name C3')
(resid 24 and name C4') 1.0 35.0 5.0 2
;
334 1 334 1 parsed_2ldl 1
43 "Ura 25" 346 1 347 9 parsed_2ldl 1
44
;
assign (resid 25 and name O4')
(resid 25 and name C1')
(resid 25 and name C2')
(resid 25 and name C3') 1.0 -20.0 10.0 2
assign (resid 25 and name C1')
(resid 25 and name C2')
(resid 25 and name C3')
(resid 25 and name C4') 1.0 35.0 5.0 2
;
348 1 348 1 parsed_2ldl 1
45 "Cyt 26" 361 1 361 9 parsed_2ldl 1
46
;
assign (resid 26 and name O4')
(resid 26 and name C1')
(resid 26 and name C2')
(resid 26 and name C3') 1.0 -20.0 10.0 2
assign (resid 26 and name C1')
(resid 26 and name C2')
(resid 26 and name C3')
(resid 26 and name C4') 1.0 35.0 5.0 2
;
362 1 362 1 parsed_2ldl 1
47 "Cyt 27" 374 1 375 9 parsed_2ldl 1
48
;
assign (resid 27 and name O4')
(resid 27 and name C1')
(resid 27 and name C2')
(resid 27 and name C3') 1.0 -20.0 10.0 2
assign (resid 27 and name C1')
(resid 27 and name C2')
(resid 27 and name C3')
(resid 27 and name C4') 1.0 35.0 5.0 2
;
376 1 376 1 parsed_2ldl 1
49
;
Torsion angle restraints for the xhi torsion angle in the
GZ33 - Theophylline RNA complex.
Xhi is defined as follows...
Purines = O4'-C1'-N9-C4
Pyrimidines = O4'-C1'-N1-C2
Anti:
Xhi = 180.0 +/- 90.0
including high-anti and excluding high-syn:
Xhi = -150.0 +/- 90.0
Syn:
Xhi = 0.0 +/- 90.0
See Saenger page 22.
;
388 1 402 2 parsed_2ldl 1
50 syn 434 71 434 75 parsed_2ldl 1
51
;
dihedral restraints on epsilon, zeta, alpha, beta
!1
;
458 1 459 4 parsed_2ldl 1
52 epsilon 461 77 461 85 parsed_2ldl 1
53
;
zeta
!2
;
463 77 465 4 parsed_2ldl 1
54 alpha 467 76 467 82 parsed_2ldl 1
55 beta 469 76 469 81 parsed_2ldl 1
56 epsilon 471 77 471 85 parsed_2ldl 1
57
;
zeta
!3
;
473 76 475 4 parsed_2ldl 1
58 !4 485 1 485 4 parsed_2ldl 1
59 !5 495 1 495 4 parsed_2ldl 1
60 !6 504 1 504 4 parsed_2ldl 1
61 !7 513 1 513 4 parsed_2ldl 1
62 !8 522 1 522 4 parsed_2ldl 1
63 !9 531 1 531 4 parsed_2ldl 1
64 !10 540 1 540 5 parsed_2ldl 1
65 !11 549 1 549 5 parsed_2ldl 1
66 !12 558 1 558 5 parsed_2ldl 1
67 !13 567 1 567 5 parsed_2ldl 1
68
;
assign (resid 13 and name c3') (resid 13 and name o3')
(resid 14 and name p ) (resid 14 and name o5') 1.0 -70.0 20.0 2
!14
assign (resid 13 and name o3') (resid 14 and name p )
(resid 14 and name o5') (resid 14 and name c5') 1.0 -60.0 20.0 2
assign (resid 14 and name p ) (resid 14 and name o5')
(resid 14 and name c5') (resid 14 and name c4') 1.0 180.0 20.0 2
assign (resid 14 and name c4') (resid 14 and name c3')
(resid 14 and name o3') (resid 15 and name p ) 1.0 -160.0 20.0 2
assign (resid 14 and name c3') (resid 14 and name o3')
(resid 15 and name p ) (resid 15 and name o5') 1.0 -70.0 20.0 2
!15
assign (resid 14 and name o3') (resid 15 and name p )
(resid 15 and name o5') (resid 15 and name c5') 1.0 -60.0 20.0 2
assign (resid 15 and name p ) (resid 15 and name o5')
(resid 15 and name c5') (resid 15 and name c4') 1.0 180.0 20.0 2
assign (resid 15 and name c4') (resid 15 and name c3')
(resid 15 and name o3') (resid 16 and name p ) 1.0 -160.0 20.0 2
assign (resid 15 and name c3') (resid 15 and name o3')
(resid 16 and name p ) (resid 16 and name o5') 1.0 -70.0 20.0 2
!16
assign (resid 15 and name o3') (resid 16 and name p )
(resid 16 and name o5') (resid 16 and name c5') 1.0 -60.0 20.0 2
assign (resid 16 and name p ) (resid 16 and name o5')
(resid 16 and name c5') (resid 16 and name c4') 1.0 180.0 20.0 2
assign (resid 16 and name c4') (resid 16 and name c3')
(resid 16 and name o3') (resid 17 and name p ) 1.0 -160.0 20.0 2
assign (resid 16 and name c3') (resid 16 and name o3')
(resid 17 and name p ) (resid 17 and name o5') 1.0 -70.0 20.0 2
!17
assign (resid 16 and name o3') (resid 17 and name p )
(resid 17 and name o5') (resid 17 and name c5') 1.0 -60.0 20.0 2
assign (resid 17 and name p ) (resid 17 and name o5')
(resid 17 and name c5') (resid 17 and name c4') 1.0 180.0 20.0 2
assign (resid 17 and name c4') (resid 17 and name c3')
(resid 17 and name o3') (resid 18 and name p ) 1.0 -160.0 20.0 2
assign (resid 17 and name c3') (resid 17 and name o3')
(resid 18 and name p ) (resid 18 and name o5') 1.0 -70.0 20.0 2
!18
assign (resid 17 and name o3') (resid 18 and name p )
(resid 18 and name o5') (resid 18 and name c5') 1.0 -60.0 20.0 2
;
574 1 614 76 parsed_2ldl 1
69 !19 621 1 621 5 parsed_2ldl 1
70 !20 630 1 630 5 parsed_2ldl 1
71 !21 639 1 639 5 parsed_2ldl 1
72 !22 648 1 648 5 parsed_2ldl 1
73 !23 657 1 657 5 parsed_2ldl 1
74 !24 666 1 666 5 parsed_2ldl 1
75 !25 675 1 675 5 parsed_2ldl 1
76 !26 684 1 684 5 parsed_2ldl 1
77 !27 693 1 693 5 parsed_2ldl 1
78 gamma 699 1 699 7 parsed_2ldl 1
79
;
assign (resid 13 and name o5') (resid 13 and name c5')
(resid 13 and name c4') (resid 13 and name c3') 1.0 60.0 20.0 2
assign (resid 14 and name o5') (resid 14 and name c5')
(resid 14 and name c4') (resid 14 and name c3') 1.0 60.0 20.0 2
assign (resid 15 and name o5') (resid 15 and name c5')
(resid 15 and name c4') (resid 15 and name c3') 1.0 60.0 20.0 2
assign (resid 16 and name o5') (resid 16 and name c5')
(resid 16 and name c4') (resid 16 and name c3') 1.0 60.0 20.0 2
assign (resid 17 and name o5') (resid 17 and name c5')
(resid 17 and name c4') (resid 17 and name c3') 1.0 60.0 20.0 2
;
725 1 734 74 parsed_2ldl 1
stop_
save_
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