NMR Restraints Grid
| |
NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
32084 |
1fc8   |
cing | 2-parsed | STAR | dihedral angle | 91 |
data_1fc8_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1fc8
_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_1fc8 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1fc8
_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 1fc8 "Master copy" parsed_1fc8
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1fc8
_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 1fc8.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1fc8 1
1 1fc8.mr . . XPLOR/CNS 2 distance NOE simple 195 parsed_1fc8 1
1 1fc8.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 15 parsed_1fc8 1
1 1fc8.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_1fc8 1
1 1fc8.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 91 parsed_1fc8 1
1 1fc8.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_1fc8 1
1 1fc8.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1fc8 1
stop_
save_
save_CNS/XPLOR_dihedral_5
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1fc8
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 2 . p . 2 . o5' . 2 . c5' . 2 . c4' parsed_1fc8 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 3 . p . 3 . o5' . 3 . c5' . 3 . c4' parsed_1fc8 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 4 . p . 4 . o5' . 4 . c5' . 4 . c4' parsed_1fc8 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 5 . p . 5 . o5' . 5 . c5' . 5 . c4' parsed_1fc8 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 240.0 . . 6 . p . 6 . o5' . 6 . c5' . 6 . c4' parsed_1fc8 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 240.0 . . 7 . p . 7 . o5' . 7 . c5' . 7 . c4' parsed_1fc8 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 240.0 . . 8 . p . 8 . o5' . 8 . c5' . 8 . c4' parsed_1fc8 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 10 . p . 10 . o5' . 10 . c5' . 10 . c4' parsed_1fc8 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 11 . p . 11 . o5' . 11 . c5' . 11 . c4' parsed_1fc8 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 12 . p . 12 . o5' . 12 . c5' . 12 . c4' parsed_1fc8 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 2 . o5' . 2 . c5' . 2 . c4' . 2 . c3' parsed_1fc8 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 3 . o5' . 3 . c5' . 3 . c4' . 3 . c3' parsed_1fc8 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 4 . o5' . 4 . c5' . 4 . c4' . 4 . c3' parsed_1fc8 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 5 . o5' . 5 . c5' . 5 . c4' . 5 . c3' parsed_1fc8 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 120.0 . . 6 . o5' . 6 . c5' . 6 . c4' . 6 . c3' parsed_1fc8 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 120.0 . . 7 . o5' . 7 . c5' . 7 . c4' . 7 . c3' parsed_1fc8 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 9 . o5' . 9 . c5' . 9 . c4' . 9 . c3' parsed_1fc8 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 10 . o5' . 10 . c5' . 10 . c4' . 10 . c3' parsed_1fc8 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 11 . o5' . 11 . c5' . 11 . c4' . 11 . c3' parsed_1fc8 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 12 . o5' . 12 . c5' . 12 . c4' . 12 . c3' parsed_1fc8 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 220.0 260.0 . . 1 . c4' . 1 . c3' . 1 . o3' . 2 . p parsed_1fc8 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 220.0 260.0 . . 2 . c4' . 2 . c3' . 2 . o3' . 3 . p parsed_1fc8 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 220.0 260.0 . . 3 . c4' . 3 . c3' . 3 . o3' . 4 . p parsed_1fc8 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 220.0 260.0 . . 4 . c4' . 4 . c3' . 4 . o3' . 5 . p parsed_1fc8 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 340.0 . . 5 . c4' . 5 . c3' . 5 . o3' . 6 . p parsed_1fc8 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 340.0 . . 6 . c4' . 6 . c3' . 6 . o3' . 7 . p parsed_1fc8 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 340.0 . . 7 . c4' . 7 . c3' . 7 . o3' . 8 . p parsed_1fc8 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 340.0 . . 8 . c4' . 8 . c3' . 8 . o3' . 9 . p parsed_1fc8 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155.0 185.0 . . 9 . c4' . 9 . c3' . 9 . o3' . 10 . p parsed_1fc8 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155.0 185.0 . . 10 . c4' . 10 . c3' . 10 . o3' . 11 . p parsed_1fc8 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155.0 185.0 . . 11 . c4' . 11 . c3' . 11 . o3' . 12 . p parsed_1fc8 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -18.0 2.0 . . 1 . c4' . 1 . o4' . 1 . c1' . 1 . c2' parsed_1fc8 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -10.0 10.0 . . 2 . c4' . 2 . o4' . 2 . c1' . 2 . c2' parsed_1fc8 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -10.0 10.0 . . 3 . c4' . 3 . o4' . 3 . c1' . 3 . c2' parsed_1fc8 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -24.4 -4.4 . . 4 . c4' . 4 . o4' . 4 . c1' . 4 . c2' parsed_1fc8 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -18.0 2.0 . . 5 . c4' . 5 . o4' . 5 . c1' . 5 . c2' parsed_1fc8 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -44.3 -24.3 . . 6 . c4' . 6 . o4' . 6 . c1' . 6 . c2' parsed_1fc8 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -38.6 -18.6 . . 7 . c4' . 7 . o4' . 7 . c1' . 7 . c2' parsed_1fc8 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -38.6 -18.6 . . 8 . c4' . 8 . o4' . 8 . c1' . 8 . c2' parsed_1fc8 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -46.6 -26.6 . . 9 . c4' . 9 . o4' . 9 . c1' . 9 . c2' parsed_1fc8 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -46.6 -26.6 . . 10 . c4' . 10 . o4' . 10 . c1' . 10 . c2' parsed_1fc8 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -46.6 -26.6 . . 11 . c4' . 11 . o4' . 11 . c1' . 11 . c2' parsed_1fc8 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.4 -28.4 . . 12 . c4' . 12 . o4' . 12 . c1' . 12 . c2' parsed_1fc8 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -25.6 -5.6 . . 1 . o4' . 1 . c1' . 1 . c2' . 1 . c3' parsed_1fc8 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -32.6 -12.6 . . 2 . o4' . 2 . c1' . 2 . c2' . 2 . c3' parsed_1fc8 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -32.6 -12.6 . . 3 . o4' . 3 . c1' . 3 . c2' . 3 . c3' parsed_1fc8 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -19.3 0.7 . . 4 . o4' . 4 . c1' . 4 . c2' . 4 . c3' parsed_1fc8 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -25.6 -5.6 . . 5 . o4' . 5 . c1' . 5 . c2' . 5 . c3' parsed_1fc8 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 28.0 48.0 . . 6 . o4' . 6 . c1' . 6 . c2' . 6 . c3' parsed_1fc8 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 28.4 48.4 . . 7 . o4' . 7 . c1' . 7 . c2' . 7 . c3' parsed_1fc8 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 28.4 48.4 . . 8 . o4' . 8 . c1' . 8 . c2' . 8 . c3' parsed_1fc8 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 12.6 32.6 . . 9 . o4' . 9 . c1' . 9 . c2' . 9 . c3' parsed_1fc8 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 12.6 32.6 . . 10 . o4' . 10 . c1' . 10 . c2' . 10 . c3' parsed_1fc8 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 12.6 32.6 . . 11 . o4' . 11 . c1' . 11 . c2' . 11 . c3' parsed_1fc8 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19.9 39.9 . . 12 . o4' . 12 . c1' . 12 . c2' . 12 . c3' parsed_1fc8 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 23.3 43.3 . . 1 . c1' . 1 . c2' . 1 . c3' . 1 . c4' parsed_1fc8 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 26.6 46.6 . . 2 . c1' . 2 . c2' . 2 . c3' . 2 . c4' parsed_1fc8 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 26.6 46.6 . . 3 . c1' . 3 . c2' . 3 . c3' . 3 . c4' parsed_1fc8 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19.5 39.5 . . 4 . c1' . 4 . c2' . 4 . c3' . 4 . c4' parsed_1fc8 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 23.3 43.3 . . 5 . c1' . 5 . c2' . 5 . c3' . 5 . c4' parsed_1fc8 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.2 -17.2 . . 6 . c1' . 6 . c2' . 6 . c3' . 6 . c4' parsed_1fc8 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -43.3 -23.3 . . 7 . c1' . 7 . c2' . 7 . c3' . 7 . c4' parsed_1fc8 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -43.3 -23.3 . . 8 . c1' . 8 . c2' . 8 . c3' . 8 . c4' parsed_1fc8 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -10.0 10.0 . . 9 . c1' . 9 . c2' . 9 . c3' . 9 . c4' parsed_1fc8 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -10.0 10.0 . . 10 . c1' . 10 . c2' . 10 . c3' . 10 . c4' parsed_1fc8 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -10.0 10.0 . . 11 . c1' . 11 . c2' . 11 . c3' . 11 . c4' parsed_1fc8 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -20.0 0.0 . . 12 . c1' . 12 . c2' . 12 . c3' . 12 . c4' parsed_1fc8 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.3 -28.3 . . 1 . c2' . 1 . c3' . 1 . c4' . 1 . o4' parsed_1fc8 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -46.6 -26.6 . . 2 . c2' . 2 . c3' . 2 . c4' . 2 . o4' parsed_1fc8 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -46.6 -26.6 . . 3 . c2' . 3 . c3' . 3 . c4' . 3 . o4' parsed_1fc8 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.4 -28.4 . . 4 . c2' . 4 . c3' . 4 . c4' . 4 . o4' parsed_1fc8 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.3 -28.3 . . 5 . c2' . 5 . c3' . 5 . c4' . 5 . o4' parsed_1fc8 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -4.0 16.0 . . 6 . c2' . 6 . c3' . 6 . c4' . 6 . o4' parsed_1fc8 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5.7 25.7 . . 7 . c2' . 7 . c3' . 7 . c4' . 7 . o4' parsed_1fc8 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5.7 25.7 . . 8 . c2' . 8 . c3' . 8 . c4' . 8 . o4' parsed_1fc8 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -32.6 -12.6 . . 9 . c2' . 9 . c3' . 9 . c4' . 9 . o4' parsed_1fc8 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -32.6 -12.6 . . 10 . c2' . 10 . c3' . 10 . c4' . 10 . o4' parsed_1fc8 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -32.6 -12.6 . . 11 . c2' . 11 . c3' . 11 . c4' . 11 . o4' parsed_1fc8 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -23.8 -3.8 . . 12 . c2' . 12 . c3' . 12 . c4' . 12 . o4' parsed_1fc8 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 18.6 38.6 . . 1 . c3' . 1 . c4' . 1 . o4' . 1 . c1' parsed_1fc8 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 12.6 32.6 . . 2 . c3' . 2 . c4' . 2 . o4' . 2 . c1' parsed_1fc8 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 12.6 32.6 . . 3 . c3' . 3 . c4' . 3 . o4' . 3 . c1' parsed_1fc8 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 22.6 42.6 . . 4 . c3' . 4 . c4' . 4 . o4' . 4 . c1' parsed_1fc8 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 18.6 38.6 . . 5 . c3' . 5 . c4' . 5 . o4' . 5 . c1' parsed_1fc8 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7.5 27.5 . . 6 . c3' . 6 . c4' . 6 . o4' . 6 . c1' parsed_1fc8 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.0 18.0 . . 7 . c3' . 7 . c4' . 7 . o4' . 7 . c1' parsed_1fc8 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.0 18.0 . . 8 . c3' . 8 . c4' . 8 . o4' . 8 . c1' parsed_1fc8 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 26.6 46.6 . . 9 . c3' . 9 . c4' . 9 . o4' . 9 . c1' parsed_1fc8 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 26.6 46.6 . . 10 . c3' . 10 . c4' . 10 . o4' . 10 . c1' parsed_1fc8 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 26.6 46.6 . . 11 . c3' . 11 . c4' . 11 . o4' . 11 . c1' parsed_1fc8 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 22.2 42.2 . . 12 . c3' . 12 . c4' . 12 . o4' . 12 . c1' parsed_1fc8 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
;
assign (resid 9 and name p ) (resid 9 and name o5')
(resid 9 and name c5') (resid 9 and name c4') 1.0 60.0 60.0 2
;
15 1 16 75 parsed_1fc8 1
2
;
constraints on gamma
assign (resid 1 and name o5') (resid 1 and name c5')
(resid 1 and name c4') (resid 1 and name c3') 1.0 -60.0 310.0 2 !freely rotating
;
26 1 28 100 parsed_1fc8 1
3
;
assign (resid 8 and name o5') (resid 8 and name c5')
(resid 8 and name c4') (resid 8 and name c3') 1.0 180.0 50.0 2
;
41 1 42 73 parsed_1fc8 1
4 "constraints on epsilon" 54 1 54 24 parsed_1fc8 1
5
;
constraints on sugar v0, v1, v2 and v4 dihedral angles (vmax=38.5)
Calculated from this formula: vj = vmax*cos(P+(j-2)*144), where j=0,1,2,3,4 and P is the pseudorotational angle
P are respectively 30, 18, 18, 40, 30, 135, 150, 150, 90, 90, 90, 105 for residue 1 to 12.
v0
;
82 1 86 4 parsed_1fc8 1
6 v1 112 1 112 4 parsed_1fc8 1
7 v2 138 1 138 4 parsed_1fc8 1
8 v3 165 1 165 4 parsed_1fc8 1
9 v4 193 1 193 4 parsed_1fc8 1
10 "constraints on the glycosidic angle X" 222 1 222 39 parsed_1fc8 1
11
;
*
assign (resid 1 and name o4') (resid 1 and name c1')
(resid 1 and name n9) (resid 1 and name c4) 1.0 -160.0 30.0 2
assign (resid 2 and name o4') (resid 2 and name c1')
(resid 2 and name n9) (resid 2 and name c4) 1.0 -160.0 30.0 2
assign (resid 3 and name o4') (resid 3 and name c1')
(resid 3 and name n9) (resid 3 and name c4) 1.0 -160.0 30.0 2
assign (resid 4 and name o4') (resid 4 and name c1')
(resid 4 and name n1) (resid 4 and name c2) 1.0 -160.0 30.0 2
assign (resid 5 and name o4') (resid 5 and name c1')
(resid 5 and name n1) (resid 5 and name c2) 0.2 -120.0 60.0 2
assign (resid 6 and name o4') (resid 6 and name c1')
(resid 6 and name n1) (resid 6 and name c2) 0.2 -100.0 60.0 2
assign (resid 7 and name o4') (resid 7 and name c1')
(resid 7 and name n1) (resid 7 and name c2) 0.2 -120.0 60.0 2
assign (resid 8 and name o4') (resid 8 and name c1')
(resid 8 and name n9) (resid 8 and name c4) 0.2 -100.0 60.0 2
assign (resid 9 and name o4') (resid 9 and name c1')
(resid 9 and name n9) (resid 9 and name c4) 1.0 -130.0 30.0 2
assign (resid 10 and name o4') (resid 10 and name c1')
(resid 10 and name n1) (resid 10 and name c2) 1.0 -130.0 30.0 2
assign (resid 11 and name o4') (resid 11 and name c1')
(resid 11 and name n1) (resid 11 and name c2) 1.0 -130.0 30.0 2
assign (resid 12 and name o4') (resid 12 and name c1')
(resid 12 and name n1) (resid 12 and name c2) 1.0 -130.0 30.0
;
224 1 224 1 parsed_1fc8 1
stop_
save_
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