NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
577880 |
2mh6   |
19620 | cing | 2-parsed | STAR | dihedral angle | 125 |
data_2mh6_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2mh6
_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_2mh6 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2mh6
_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 2mh6 "Master copy" parsed_2mh6
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2mh6
_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 2mh6.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2mh6 1
1 2mh6.mr . . XPLOR/CNS 2 distance NOE simple 197 parsed_2mh6 1
1 2mh6.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 125 parsed_2mh6 1
1 2mh6.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2mh6 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2mh6
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 3
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . A 2 . p A 2 . o5' A 2 . c5' A 2 . c4' parsed_2mh6 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . A 3 . p A 3 . o5' A 3 . c5' A 3 . c4' parsed_2mh6 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . A 4 . p A 4 . o5' A 4 . c5' A 4 . c4' parsed_2mh6 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . A 5 . p A 5 . o5' A 5 . c5' A 5 . c4' parsed_2mh6 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . A 6 . p A 6 . o5' A 6 . c5' A 6 . c4' parsed_2mh6 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . A 7 . p A 7 . o5' A 7 . c5' A 7 . c4' parsed_2mh6 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . A 8 . p A 8 . o5' A 8 . c5' A 8 . c4' parsed_2mh6 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . B 10 . p B 10 . o5' B 10 . c5' B 10 . c4' parsed_2mh6 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . B 11 . p B 11 . o5' B 11 . c5' B 11 . c4' parsed_2mh6 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . B 12 . p B 12 . o5' B 12 . c5' B 12 . c4' parsed_2mh6 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . B 13 . p B 13 . o5' B 13 . c5' B 13 . c4' parsed_2mh6 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . B 14 . p B 14 . o5' B 14 . c5' B 14 . c4' parsed_2mh6 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . B 15 . p B 15 . o5' B 15 . c5' B 15 . c4' parsed_2mh6 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . B 16 . p B 16 . o5' B 16 . c5' B 16 . c4' parsed_2mh6 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . A 1 . o5' A 1 . c5' A 1 . c4' A 1 . c3' parsed_2mh6 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . A 2 . o5' A 2 . c5' A 2 . c4' A 2 . c3' parsed_2mh6 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . A 3 . o5' A 3 . c5' A 3 . c4' A 3 . c3' parsed_2mh6 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . A 4 . o5' A 4 . c5' A 4 . c4' A 4 . c3' parsed_2mh6 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . A 5 . o5' A 5 . c5' A 5 . c4' A 5 . c3' parsed_2mh6 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . A 6 . o5' A 6 . c5' A 6 . c4' A 6 . c3' parsed_2mh6 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . A 7 . o5' A 7 . c5' A 7 . c4' A 7 . c3' parsed_2mh6 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . A 8 . o5' A 8 . c5' A 8 . c4' A 8 . c3' parsed_2mh6 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . B 9 . o5' B 9 . c5' B 9 . c4' B 9 . c3' parsed_2mh6 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . B 10 . o5' B 10 . c5' B 10 . c4' B 10 . c3' parsed_2mh6 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . B 11 . o5' B 11 . c5' B 11 . c4' B 11 . c3' parsed_2mh6 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . B 12 . o5' B 12 . c5' B 12 . c4' B 12 . c3' parsed_2mh6 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . B 13 . o5' B 13 . c5' B 13 . c4' B 13 . c3' parsed_2mh6 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -20.0 140.0 . B 14 . o5' B 14 . c5' B 14 . c4' B 14 . c3' parsed_2mh6 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.0 380.0 . B 14 . o5' B 14 . c5' B 14 . c4' B 14 . c3' parsed_2mh6 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . B 15 . o5' B 15 . c5' B 15 . c4' B 15 . c3' parsed_2mh6 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . B 16 . o5' B 16 . c5' B 16 . c4' B 16 . c3' parsed_2mh6 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 220.0 . A 1 . c4' A 1 . c3' A 1 . o3' A 2 . p parsed_2mh6 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 220.0 . A 2 . c4' A 2 . c3' A 2 . o3' A 3 . p parsed_2mh6 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 220.0 . A 3 . c4' A 3 . c3' A 3 . o3' A 4 . p parsed_2mh6 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 220.0 . A 4 . c4' A 4 . c3' A 4 . o3' A 5 . p parsed_2mh6 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 220.0 . A 5 . c4' A 5 . c3' A 5 . o3' A 6 . p parsed_2mh6 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 220.0 . A 6 . c4' A 6 . c3' A 6 . o3' A 7 . p parsed_2mh6 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 220.0 . A 7 . c4' A 7 . c3' A 7 . o3' A 8 . p parsed_2mh6 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 220.0 . B 9 . c4' B 9 . c3' B 9 . o3' B 10 . p parsed_2mh6 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 220.0 . B 10 . c4' B 10 . c3' B 10 . o3' B 11 . p parsed_2mh6 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 220.0 . B 11 . c4' B 11 . c3' B 11 . o3' B 12 . p parsed_2mh6 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 220.0 . B 12 . c4' B 12 . c3' B 12 . o3' B 13 . p parsed_2mh6 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 220.0 . B 13 . c4' B 13 . c3' B 13 . o3' B 14 . p parsed_2mh6 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 220.0 . B 14 . c4' B 14 . c3' B 14 . o3' B 15 . p parsed_2mh6 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 220.0 . B 15 . c4' B 15 . c3' B 15 . o3' B 16 . p parsed_2mh6 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.2 0.0 . A 1 . c4' A 1 . o4' A 1 . c1' A 1 . c2' parsed_2mh6 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.2 0.0 . A 2 . c4' A 2 . o4' A 2 . c1' A 2 . c2' parsed_2mh6 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.2 0.0 . A 3 . c4' A 3 . o4' A 3 . c1' A 3 . c2' parsed_2mh6 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.2 0.0 . A 4 . c4' A 4 . o4' A 4 . c1' A 4 . c2' parsed_2mh6 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.2 0.0 . A 5 . c4' A 5 . o4' A 5 . c1' A 5 . c2' parsed_2mh6 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.2 0.0 . A 6 . c4' A 6 . o4' A 6 . c1' A 6 . c2' parsed_2mh6 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.2 0.0 . A 7 . c4' A 7 . o4' A 7 . c1' A 7 . c2' parsed_2mh6 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.2 0.0 . A 8 . c4' A 8 . o4' A 8 . c1' A 8 . c2' parsed_2mh6 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.2 0.0 . B 9 . c4' B 9 . o4' B 9 . c1' B 9 . c2' parsed_2mh6 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.2 0.0 . B 10 . c4' B 10 . o4' B 10 . c1' B 10 . c2' parsed_2mh6 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.2 0.0 . B 11 . c4' B 11 . o4' B 11 . c1' B 11 . c2' parsed_2mh6 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.2 0.0 . B 12 . c4' B 12 . o4' B 12 . c1' B 12 . c2' parsed_2mh6 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.2 0.0 . B 13 . c4' B 13 . o4' B 13 . c1' B 13 . c2' parsed_2mh6 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.2 0.0 . B 14 . c4' B 14 . o4' B 14 . c1' B 14 . c2' parsed_2mh6 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.2 0.0 . B 15 . c4' B 15 . o4' B 15 . c1' B 15 . c2' parsed_2mh6 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.2 0.0 . B 16 . c4' B 16 . o4' B 16 . c1' B 16 . c2' parsed_2mh6 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21.8 37.0 . A 1 . o4' A 1 . c1' A 1 . c2' A 1 . c3' parsed_2mh6 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21.8 37.0 . A 2 . o4' A 2 . c1' A 2 . c2' A 2 . c3' parsed_2mh6 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21.8 37.0 . A 3 . o4' A 3 . c1' A 3 . c2' A 3 . c3' parsed_2mh6 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21.8 37.0 . A 4 . o4' A 4 . c1' A 4 . c2' A 4 . c3' parsed_2mh6 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21.8 37.0 . A 5 . o4' A 5 . c1' A 5 . c2' A 5 . c3' parsed_2mh6 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21.8 37.0 . A 6 . o4' A 6 . c1' A 6 . c2' A 6 . c3' parsed_2mh6 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21.8 37.0 . A 7 . o4' A 7 . c1' A 7 . c2' A 7 . c3' parsed_2mh6 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21.8 37.0 . A 8 . o4' A 8 . c1' A 8 . c2' A 8 . c3' parsed_2mh6 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21.8 37.0 . B 9 . o4' B 9 . c1' B 9 . c2' B 9 . c3' parsed_2mh6 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21.8 37.0 . B 10 . o4' B 10 . c1' B 10 . c2' B 10 . c3' parsed_2mh6 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21.8 37.0 . B 11 . o4' B 11 . c1' B 11 . c2' B 11 . c3' parsed_2mh6 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21.8 37.0 . B 12 . o4' B 12 . c1' B 12 . c2' B 12 . c3' parsed_2mh6 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21.8 37.0 . B 13 . o4' B 13 . c1' B 13 . c2' B 13 . c3' parsed_2mh6 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21.8 37.0 . B 14 . o4' B 14 . c1' B 14 . c2' B 14 . c3' parsed_2mh6 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21.8 37.0 . B 15 . o4' B 15 . c1' B 15 . c2' B 15 . c3' parsed_2mh6 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21.8 37.0 . B 16 . o4' B 16 . c1' B 16 . c2' B 16 . c3' parsed_2mh6 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.0 -11.4 . A 1 . c1' A 1 . c2' A 1 . c3' A 1 . c4' parsed_2mh6 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.0 -11.4 . A 2 . c1' A 2 . c2' A 2 . c3' A 2 . c4' parsed_2mh6 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.0 -11.4 . A 3 . c1' A 3 . c2' A 3 . c3' A 3 . c4' parsed_2mh6 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.0 -11.4 . A 4 . c1' A 4 . c2' A 4 . c3' A 4 . c4' parsed_2mh6 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.0 -11.4 . A 5 . c1' A 5 . c2' A 5 . c3' A 5 . c4' parsed_2mh6 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.0 -11.4 . A 6 . c1' A 6 . c2' A 6 . c3' A 6 . c4' parsed_2mh6 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.0 -11.4 . A 7 . c1' A 7 . c2' A 7 . c3' A 7 . c4' parsed_2mh6 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.0 -11.4 . A 8 . c1' A 8 . c2' A 8 . c3' A 8 . c4' parsed_2mh6 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.0 -11.4 . B 9 . c1' B 9 . c2' B 9 . c3' B 9 . c4' parsed_2mh6 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.0 -11.4 . B 10 . c1' B 10 . c2' B 10 . c3' B 10 . c4' parsed_2mh6 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.0 -11.4 . B 11 . c1' B 11 . c2' B 11 . c3' B 11 . c4' parsed_2mh6 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.0 -11.4 . B 12 . c1' B 12 . c2' B 12 . c3' B 12 . c4' parsed_2mh6 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.0 -11.4 . B 13 . c1' B 13 . c2' B 13 . c3' B 13 . c4' parsed_2mh6 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.0 -11.4 . B 14 . c1' B 14 . c2' B 14 . c3' B 14 . c4' parsed_2mh6 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.0 -11.4 . B 15 . c1' B 15 . c2' B 15 . c3' B 15 . c4' parsed_2mh6 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.0 -11.4 . B 16 . c1' B 16 . c2' B 16 . c3' B 16 . c4' parsed_2mh6 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 35.2 . A 1 . c2' A 1 . c3' A 1 . c4' A 1 . o4' parsed_2mh6 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 35.2 . A 2 . c2' A 2 . c3' A 2 . c4' A 2 . o4' parsed_2mh6 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 35.2 . A 3 . c2' A 3 . c3' A 3 . c4' A 3 . o4' parsed_2mh6 1
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 35.2 . A 4 . c2' A 4 . c3' A 4 . c4' A 4 . o4' parsed_2mh6 1
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 35.2 . A 5 . c2' A 5 . c3' A 5 . c4' A 5 . o4' parsed_2mh6 1
99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 35.2 . A 6 . c2' A 6 . c3' A 6 . c4' A 6 . o4' parsed_2mh6 1
100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 35.2 . A 7 . c2' A 7 . c3' A 7 . c4' A 7 . o4' parsed_2mh6 1
101 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 35.2 . A 8 . c2' A 8 . c3' A 8 . c4' A 8 . o4' parsed_2mh6 1
102 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 35.2 . B 9 . c2' B 9 . c3' B 9 . c4' B 9 . o4' parsed_2mh6 1
103 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 35.2 . B 10 . c2' B 10 . c3' B 10 . c4' B 10 . o4' parsed_2mh6 1
104 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 35.2 . B 11 . c2' B 11 . c3' B 11 . c4' B 11 . o4' parsed_2mh6 1
105 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 35.2 . B 12 . c2' B 12 . c3' B 12 . c4' B 12 . o4' parsed_2mh6 1
106 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 35.2 . B 13 . c2' B 13 . c3' B 13 . c4' B 13 . o4' parsed_2mh6 1
107 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 35.2 . B 14 . c2' B 14 . c3' B 14 . c4' B 14 . o4' parsed_2mh6 1
108 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 35.2 . B 15 . c2' B 15 . c3' B 15 . c4' B 15 . o4' parsed_2mh6 1
109 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 35.2 . B 16 . c2' B 16 . c3' B 16 . c4' B 16 . o4' parsed_2mh6 1
110 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -21.7 21.7 . A 1 . c3' A 1 . c4' A 1 . o4' A 1 . c1' parsed_2mh6 1
111 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -21.7 21.7 . A 2 . c3' A 2 . c4' A 2 . o4' A 2 . c1' parsed_2mh6 1
112 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -21.7 21.7 . A 3 . c3' A 3 . c4' A 3 . o4' A 3 . c1' parsed_2mh6 1
113 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -21.7 21.7 . A 4 . c3' A 4 . c4' A 4 . o4' A 4 . c1' parsed_2mh6 1
114 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -21.7 21.7 . A 5 . c3' A 5 . c4' A 5 . o4' A 5 . c1' parsed_2mh6 1
115 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -21.7 21.7 . A 6 . c3' A 6 . c4' A 6 . o4' A 6 . c1' parsed_2mh6 1
116 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -21.7 21.7 . A 7 . c3' A 7 . c4' A 7 . o4' A 7 . c1' parsed_2mh6 1
117 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -21.7 21.7 . A 8 . c3' A 8 . c4' A 8 . o4' A 8 . c1' parsed_2mh6 1
118 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -21.7 21.7 . B 9 . c3' B 9 . c4' B 9 . o4' B 9 . c1' parsed_2mh6 1
119 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -21.7 21.7 . B 10 . c3' B 10 . c4' B 10 . o4' B 10 . c1' parsed_2mh6 1
120 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -21.7 21.7 . B 11 . c3' B 11 . c4' B 11 . o4' B 11 . c1' parsed_2mh6 1
121 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -21.7 21.7 . B 12 . c3' B 12 . c4' B 12 . o4' B 12 . c1' parsed_2mh6 1
122 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -21.7 21.7 . B 13 . c3' B 13 . c4' B 13 . o4' B 13 . c1' parsed_2mh6 1
123 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -21.7 21.7 . B 14 . c3' B 14 . c4' B 14 . o4' B 14 . c1' parsed_2mh6 1
124 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -21.7 21.7 . B 15 . c3' B 15 . c4' B 15 . o4' B 15 . c1' parsed_2mh6 1
125 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -21.7 21.7 . B 16 . c3' B 16 . c4' B 16 . o4' B 16 . c1' parsed_2mh6 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
;
TORSION ANGLE CONSTRAINTS
torsion restraints on beta
;
1 1 3 28 parsed_2mh6 1
2 "torsion constraints on gamma" 37 1 37 30 parsed_2mh6 1
3 "torsion restraints on epsilon" 78 1 78 31 parsed_2mh6 1
4
;
constraints on sugar v0, v1, v2, v3 and v4 torsion angles between P = 126-198 deg.
calculated from this formula: vj = vmax*cos(P+(j-2)*144), and vmax=37
v0
;
113 1 117 4 parsed_2mh6 1
5 v1 151 1 151 4 parsed_2mh6 1
6 v2 185 1 185 4 parsed_2mh6 1
7 v3 219 1 219 4 parsed_2mh6 1
8 v4 253 1 253 4 parsed_2mh6 1
9 ----------------------------------------------------------------------------------------------- 287 1 287 97 parsed_2mh6 1
stop_
save_
Contact the webmaster for help, if required. Thursday, May 23, 2024 1:12:08 PM GMT (wattos1)