NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
573066 |
2m4w   |
19024 | cing | 2-parsed | STAR | dihedral angle | 123 |
data_2m4w_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2m4w
_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_2m4w 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2m4w
_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 2m4w "Master copy" parsed_2m4w
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2m4w
_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 2m4w.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2m4w 1
1 2m4w.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 123 parsed_2m4w 1
1 2m4w.mr . . XPLOR/CNS 3 distance NOE simple 0 parsed_2m4w 1
1 2m4w.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 0 parsed_2m4w 1
1 2m4w.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2m4w 1
stop_
save_
save_CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2m4w
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 2
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . . 1 . O3' . 2 . P . 2 . O5' . 2 . C5' parsed_2m4w 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . . 2 . O3' . 3 . P . 3 . O5' . 3 . C5' parsed_2m4w 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . . 3 . O3' . 4 . P . 4 . O5' . 4 . C5' parsed_2m4w 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . . 4 . O3' . 5 . P . 5 . O5' . 5 . C5' parsed_2m4w 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . . 11 . O3' . 12 . P . 12 . O5' . 12 . C5' parsed_2m4w 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . . 12 . O3' . 13 . P . 13 . O5' . 13 . C5' parsed_2m4w 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . . 15 . O3' . 16 . P . 16 . O5' . 16 . C5' parsed_2m4w 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . . 16 . O3' . 17 . P . 17 . O5' . 17 . C5' parsed_2m4w 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158.000 198.000 . . 2 . P . 2 . O5' . 2 . C5' . 2 . C4' parsed_2m4w 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158.000 198.000 . . 3 . P . 3 . O5' . 3 . C5' . 3 . C4' parsed_2m4w 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158.000 198.000 . . 4 . P . 4 . O5' . 4 . C5' . 4 . C4' parsed_2m4w 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158.000 198.000 . . 5 . P . 5 . O5' . 5 . C5' . 5 . C4' parsed_2m4w 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158.000 198.000 . . 12 . P . 12 . O5' . 12 . C5' . 12 . C4' parsed_2m4w 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158.000 198.000 . . 13 . P . 13 . O5' . 13 . C5' . 13 . C4' parsed_2m4w 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158.000 198.000 . . 14 . P . 14 . O5' . 14 . C5' . 14 . C4' parsed_2m4w 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158.000 198.000 . . 15 . P . 15 . O5' . 15 . C5' . 15 . C4' parsed_2m4w 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158.000 198.000 . . 16 . P . 16 . O5' . 16 . C5' . 16 . C4' parsed_2m4w 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158.000 198.000 . . 17 . P . 17 . O5' . 17 . C5' . 17 . C4' parsed_2m4w 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34.000 74.000 . . 1 . O5' . 1 . C5' . 1 . C4' . 1 . C3' parsed_2m4w 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34.000 74.000 . . 2 . O5' . 2 . C5' . 2 . C4' . 2 . C3' parsed_2m4w 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34.000 74.000 . . 3 . O5' . 3 . C5' . 3 . C4' . 3 . C3' parsed_2m4w 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34.000 74.000 . . 4 . O5' . 4 . C5' . 4 . C4' . 4 . C3' parsed_2m4w 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34.000 74.000 . . 5 . O5' . 5 . C5' . 5 . C4' . 5 . C3' parsed_2m4w 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34.000 74.000 . . 12 . O5' . 12 . C5' . 12 . C4' . 12 . C3' parsed_2m4w 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34.000 74.000 . . 13 . O5' . 13 . C5' . 13 . C4' . 13 . C3' parsed_2m4w 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34.000 74.000 . . 14 . O5' . 14 . C5' . 14 . C4' . 14 . C3' parsed_2m4w 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34.000 74.000 . . 15 . O5' . 15 . C5' . 15 . C4' . 15 . C3' parsed_2m4w 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34.000 74.000 . . 16 . O5' . 16 . C5' . 16 . C4' . 16 . C3' parsed_2m4w 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34.000 74.000 . . 17 . O5' . 17 . C5' . 17 . C4' . 17 . C3' parsed_2m4w 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.2 109.2 . . 1 . H1' . 1 . C1' . 1 . C2' . 1 . H2' parsed_2m4w 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29.4 49.4 . . 1 . H2' . 1 . C2' . 1 . C3' . 1 . H3' parsed_2m4w 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.0 -152.0 . . 1 . H3' . 1 . C3' . 1 . C4' . 1 . H4' parsed_2m4w 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.2 109.2 . . 2 . H1' . 2 . C1' . 2 . C2' . 2 . H2' parsed_2m4w 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29.4 49.4 . . 2 . H2' . 2 . C2' . 2 . C3' . 2 . H3' parsed_2m4w 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.0 -152.0 . . 2 . H3' . 2 . C3' . 2 . C4' . 2 . H4' parsed_2m4w 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.2 109.2 . . 3 . H1' . 3 . C1' . 3 . C2' . 3 . H2' parsed_2m4w 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29.4 49.4 . . 3 . H2' . 3 . C2' . 3 . C3' . 3 . H3' parsed_2m4w 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.0 -152.0 . . 3 . H3' . 3 . C3' . 3 . C4' . 3 . H4' parsed_2m4w 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.2 109.2 . . 4 . H1' . 4 . C1' . 4 . C2' . 4 . H2' parsed_2m4w 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29.4 49.4 . . 4 . H2' . 4 . C2' . 4 . C3' . 4 . H3' parsed_2m4w 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.0 -152.0 . . 4 . H3' . 4 . C3' . 4 . C4' . 4 . H4' parsed_2m4w 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.2 109.2 . . 5 . H1' . 5 . C1' . 5 . C2' . 5 . H2' parsed_2m4w 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29.4 49.4 . . 5 . H2' . 5 . C2' . 5 . C3' . 5 . H3' parsed_2m4w 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.0 -152.0 . . 5 . H3' . 5 . C3' . 5 . C4' . 5 . H4' parsed_2m4w 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.2 109.2 . . 12 . H1' . 12 . C1' . 12 . C2' . 12 . H2' parsed_2m4w 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29.4 49.4 . . 12 . H2' . 12 . C2' . 12 . C3' . 12 . H3' parsed_2m4w 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.0 -152.0 . . 12 . H3' . 12 . C3' . 12 . C4' . 12 . H4' parsed_2m4w 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.2 109.2 . . 13 . H1' . 13 . C1' . 13 . C2' . 13 . H2' parsed_2m4w 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29.4 49.4 . . 13 . H2' . 13 . C2' . 13 . C3' . 13 . H3' parsed_2m4w 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.0 -152.0 . . 13 . H3' . 13 . C3' . 13 . C4' . 13 . H4' parsed_2m4w 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.2 109.2 . . 14 . H1' . 14 . C1' . 14 . C2' . 14 . H2' parsed_2m4w 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29.4 49.4 . . 14 . H2' . 14 . C2' . 14 . C3' . 14 . H3' parsed_2m4w 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.0 -152.0 . . 14 . H3' . 14 . C3' . 14 . C4' . 14 . H4' parsed_2m4w 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.2 109.2 . . 15 . H1' . 15 . C1' . 15 . C2' . 15 . H2' parsed_2m4w 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29.4 49.4 . . 15 . H2' . 15 . C2' . 15 . C3' . 15 . H3' parsed_2m4w 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.0 -152.0 . . 15 . H3' . 15 . C3' . 15 . C4' . 15 . H4' parsed_2m4w 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.2 109.2 . . 16 . H1' . 16 . C1' . 16 . C2' . 16 . H2' parsed_2m4w 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29.4 49.4 . . 16 . H2' . 16 . C2' . 16 . C3' . 16 . H3' parsed_2m4w 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.0 -152.0 . . 16 . H3' . 16 . C3' . 16 . C4' . 16 . H4' parsed_2m4w 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.2 109.2 . . 17 . H1' . 17 . C1' . 17 . C2' . 17 . H2' parsed_2m4w 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29.4 49.4 . . 17 . H2' . 17 . C2' . 17 . C3' . 17 . H3' parsed_2m4w 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.0 -152.0 . . 17 . H3' . 17 . C3' . 17 . C4' . 17 . H4' parsed_2m4w 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 165.0 285.0 . . 1 . C4' . 1 . C3' . 1 . O3' . 2 . P parsed_2m4w 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 165.0 285.0 . . 2 . C4' . 2 . C3' . 2 . O3' . 3 . P parsed_2m4w 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 165.0 285.0 . . 3 . C4' . 3 . C3' . 3 . O3' . 4 . P parsed_2m4w 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 165.0 285.0 . . 4 . C4' . 4 . C3' . 4 . O3' . 5 . P parsed_2m4w 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 165.0 285.0 . . 5 . C4' . 5 . C3' . 5 . O3' . 6 . P parsed_2m4w 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 165.0 285.0 . . 12 . C4' . 12 . C3' . 12 . O3' . 13 . P parsed_2m4w 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 165.0 285.0 . . 13 . C4' . 13 . C3' . 13 . O3' . 14 . P parsed_2m4w 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 165.0 285.0 . . 14 . C4' . 14 . C3' . 14 . O3' . 15 . P parsed_2m4w 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 165.0 285.0 . . 15 . C4' . 15 . C3' . 15 . O3' . 16 . P parsed_2m4w 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 165.0 285.0 . . 16 . C4' . 16 . C3' . 16 . O3' . 17 . P parsed_2m4w 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 142.000 262.000 . . 2 . O4' . 2 . C1' . 2 . N9 . 2 . C4 parsed_2m4w 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 142.000 262.000 . . 3 . O4' . 3 . C1' . 3 . N9 . 3 . C4 parsed_2m4w 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 142.000 262.000 . . 4 . O4' . 4 . C1' . 4 . N9 . 4 . C4 parsed_2m4w 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 142.000 262.000 . . 5 . O4' . 5 . C1' . 5 . N1 . 5 . C2 parsed_2m4w 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 142.000 262.000 . . 12 . O4' . 12 . C1' . 12 . N9 . 12 . C4 parsed_2m4w 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 142.000 262.000 . . 13 . O4' . 13 . C1' . 13 . N1 . 13 . C2 parsed_2m4w 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 142.000 262.000 . . 15 . O4' . 15 . C1' . 15 . N1 . 15 . C2 parsed_2m4w 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 142.000 262.000 . . 16 . O4' . 16 . C1' . 16 . N1 . 16 . C2 parsed_2m4w 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 142.000 262.000 . . 17 . O4' . 17 . C1' . 17 . N1 . 17 . C2 parsed_2m4w 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . . 1 . C3' . 1 . O3' . 2 . P . 2 . O5' parsed_2m4w 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . . 2 . C3' . 2 . O3' . 3 . P . 3 . O5' parsed_2m4w 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . . 3 . C3' . 3 . O3' . 4 . P . 4 . O5' parsed_2m4w 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . . 4 . C3' . 4 . O3' . 5 . P . 5 . O5' parsed_2m4w 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . . 5 . C3' . 5 . O3' . 6 . P . 6 . O5' parsed_2m4w 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . . 12 . C3' . 12 . O3' . 13 . P . 13 . O5' parsed_2m4w 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . . 15 . C3' . 15 . O3' . 16 . P . 16 . O5' parsed_2m4w 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . . 16 . C3' . 16 . O3' . 17 . P . 17 . O5' parsed_2m4w 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 272.000 312.000 . . 5 . O3' . 6 . P . 6 . O5' . 6 . C5' parsed_2m4w 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.000 120.000 . . 6 . O3' . 9 . P . 9 . O5' . 9 . C5' parsed_2m4w 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.000 120.000 . . 9 . O3' . 9 . P . 10 . O5' . 10 . C5' parsed_2m4w 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158.000 198.000 . . 6 . P . 6 . O5' . 6 . C5' . 6 . C4' parsed_2m4w 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.000 120.000 . . 11 . P . 11 . O5' . 11 . C5' . 11 . C4' parsed_2m4w 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34.000 74.000 . . 6 . O5' . 6 . C5' . 6 . C4' . 6 . C3' parsed_2m4w 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34.000 74.000 . . 11 . O5' . 11 . C5' . 11 . C4' . 11 . C3' parsed_2m4w 1
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.2 109.2 . . 6 . H1' . 6 . C1' . 6 . C2' . 6 . H2' parsed_2m4w 1
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29.4 49.4 . . 6 . H2' . 6 . C2' . 6 . C3' . 6 . H3' parsed_2m4w 1
99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.0 -152.0 . . 6 . H3' . 6 . C3' . 6 . C4' . 6 . H4' parsed_2m4w 1
100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.2 109.2 . . 7 . H1' . 7 . C1' . 7 . C2' . 7 . H2' parsed_2m4w 1
101 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29.4 49.4 . . 7 . H2' . 7 . C2' . 7 . C3' . 7 . H3' parsed_2m4w 1
102 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.0 -152.0 . . 7 . H3' . 7 . C3' . 7 . C4' . 7 . H4' parsed_2m4w 1
103 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.2 109.2 . . 10 . H1' . 10 . C1' . 10 . C2' . 10 . H2' parsed_2m4w 1
104 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29.4 49.4 . . 10 . H2' . 10 . C2' . 10 . C3' . 10 . H3' parsed_2m4w 1
105 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.0 -152.0 . . 10 . H3' . 10 . C3' . 10 . C4' . 10 . H4' parsed_2m4w 1
106 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.2 109.2 . . 11 . H1' . 11 . C1' . 11 . C2' . 11 . H2' parsed_2m4w 1
107 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29.4 49.4 . . 11 . H2' . 11 . C2' . 11 . C3' . 11 . H3' parsed_2m4w 1
108 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.0 -152.0 . . 11 . H3' . 11 . C3' . 11 . C4' . 11 . H4' parsed_2m4w 1
109 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 187.000 227.000 . . 6 . C4' . 6 . C3' . 6 . O3' . 7 . P parsed_2m4w 1
110 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 165.000 285.000 . . 7 . C4' . 7 . C3' . 7 . O3' . 8 . P parsed_2m4w 1
111 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 165.000 285.000 . . 8 . C4' . 8 . C3' . 8 . O3' . 9 . P parsed_2m4w 1
112 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 165.000 285.000 . . 9 . C4' . 9 . C3' . 9 . O3' . 10 . P parsed_2m4w 1
113 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 165.000 285.000 . . 10 . C4' . 10 . C3' . 10 . O3' . 11 . P parsed_2m4w 1
114 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 187.000 227.000 . . 11 . C4' . 11 . C3' . 11 . O3' . 12 . P parsed_2m4w 1
115 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.000 120.000 . . 6 . C3' . 6 . O3' . 7 . P . 7 . O5' parsed_2m4w 1
116 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.000 120.000 . . 9 . C3' . 9 . O3' . 10 . P . 10 . O5' parsed_2m4w 1
117 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 269.000 309.000 . . 11 . C3' . 11 . O3' . 12 . P . 12 . O5' parsed_2m4w 1
118 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.000 232.000 . . 6 . O4' . 6 . C1' . 6 . N1 . 6 . C2 parsed_2m4w 1
119 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 142.000 262.000 . . 7 . O4' . 7 . C1' . 7 . N9 . 7 . C4 parsed_2m4w 1
120 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 142.000 262.000 . . 8 . O4' . 8 . C1' . 8 . N9 . 8 . C4 parsed_2m4w 1
121 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 142.000 262.000 . . 9 . O4' . 9 . C1' . 9 . N9 . 9 . C4 parsed_2m4w 1
122 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 142.000 262.000 . . 10 . O4' . 10 . C1' . 10 . N9 . 10 . C4 parsed_2m4w 1
123 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.000 232.000 . . 11 . O4' . 11 . C1' . 11 . N9 . 11 . C4 parsed_2m4w 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
;
restraints on alpha
-------------------
;
1 1 2 21 parsed_2m4w 1
2
;
restraints on beta in A-helix
-----------------------------
;
52 1 53 31 parsed_2m4w 1
3
;
restraints on gamma in A-helix
-----------------------------
;
116 1 117 31 parsed_2m4w 1
4
;
restraints on residues with N-puckering
--------------------------------------
;
187 1 188 40 parsed_2m4w 1
5
;
restraints on residues with S-puckering
--------------------------------------
assign (resid 9 and name H1')
(resid 9 and name C1')
(resid 9 and name C2')
(resid 9 and name H2')
1.000 157.4 10.0 2
assign (resid 9 and name H2')
(resid 9 and name C2')
(resid 9 and name C3')
(resid 9 and name H3')
1.000 -34.6 10.0 2
assign (resid 9 and name H3')
(resid 9 and name C3')
(resid 9 and name C4')
(resid 9 and name H4')
1.000 -100.5 10.0 2
restraints on epsilon
---------------------
;
390 1 414 23 parsed_2m4w 1
6
;
restraints on chi in A-helix
-----------------------------
;
477 1 478 31 parsed_2m4w 1
7
;
restraints on zeta in regular duplex
------------------------------------
;
537 1 538 38 parsed_2m4w 1
8 "Dihedral alpha constraints from vsm1 hairpin in GAAAloop" 592 1 592 59 parsed_2m4w 1
9 "residu C6" 597 1 597 12 parsed_2m4w 1
10 "residu G7" 602 1 602 12 parsed_2m4w 1
11 "residu A10" 607 1 607 13 parsed_2m4w 1
12
;
message=on
messsage=off
;
614 2 617 20 parsed_2m4w 1
13 "Dihedral beta constraints from vsm1 hairpin in GAAAloop" 618 1 619 58 parsed_2m4w 1
14 "residu C6" 624 1 624 12 parsed_2m4w 1
15 "residu G11" 630 1 630 13 parsed_2m4w 1
16
;
message=on
messsage=off
;
637 2 639 20 parsed_2m4w 1
17 "Dihedral gamma constraints from vsm1 hairpin in GAAAloop" 640 1 641 59 parsed_2m4w 1
18 "residu C6" 646 1 646 12 parsed_2m4w 1
19 "residu G11" 651 1 651 13 parsed_2m4w 1
20
;
message=on
message=off
;
658 2 660 19 parsed_2m4w 1
21 "Residue C6: phase angle= 10.000 , amplitude= 35.000, range in P= 20.000" 665 1 665 76 parsed_2m4w 1
22 "Residue G7: phase angle= 10.000 , amplitude= 35.000, range in P= 20.000" 684 1 684 76 parsed_2m4w 1
23 "Residue A10: phase angle= 10.000 , amplitude= 35.000, range in P= 20.000" 704 1 704 77 parsed_2m4w 1
24 "Residue 11: phase angle= 10.000 , amplitude= 35.000, range in P= 20.000" 723 1 723 76 parsed_2m4w 1
25
;
message=on
messsage=off
;
744 1 745 20 parsed_2m4w 1
26 "Dihedral epsilon constraints from vsm1 hairpin in GAAAloop" 747 1 747 61 parsed_2m4w 1
27 "residu C6" 752 1 752 12 parsed_2m4w 1
28 "residu G7" 757 1 757 12 parsed_2m4w 1
29 "residu A8" 762 1 762 12 parsed_2m4w 1
30 "residu A9" 767 1 767 12 parsed_2m4w 1
31 "residu A10" 772 1 772 13 parsed_2m4w 1
32 "residu G11" 777 1 777 13 parsed_2m4w 1
33
;
message=on
messsage=off
;
784 2 785 20 parsed_2m4w 1
34 "Dihedral zeta constraints from vsm1 hairpin in GAAAloop" 787 1 787 58 parsed_2m4w 1
35 "residu C6" 791 1 791 12 parsed_2m4w 1
36 "residu A9" 796 1 796 12 parsed_2m4w 1
37 "residu G11" 801 1 801 13 parsed_2m4w 1
38
;
message=on
messsage=off
;
808 2 809 20 parsed_2m4w 1
39 "Dihedral chi constraints from vsm1 hairpin in GAAAloop" 811 1 811 57 parsed_2m4w 1
40 "residu C6" 816 1 816 12 parsed_2m4w 1
41 "residu G7" 822 1 822 12 parsed_2m4w 1
42 "residu A8" 829 1 829 12 parsed_2m4w 1
43 "residu A9" 835 1 835 12 parsed_2m4w 1
44 "residu A10" 841 1 841 13 parsed_2m4w 1
45 "residu G11" 847 1 847 13 parsed_2m4w 1
stop_
loop_
_TA_constraint_parse_err.ID
_TA_constraint_parse_err.Content
_TA_constraint_parse_err.Begin_line
_TA_constraint_parse_err.Begin_column
_TA_constraint_parse_err.End_line
_TA_constraint_parse_err.End_column
_TA_constraint_parse_err.Entry_ID
_TA_constraint_parse_err.Torsion_angle_constraint_list_ID
1 "restraints dihedral" 594 1 594 19 parsed_2m4w 1
2
;
end
set message=on end
set messsage=off end
!
! Dihedral beta constraints from vsm1 hairpin in GAAAloop
restraints dihedral
;
613 1 621 19 parsed_2m4w 1
3
;
end
set message=on end
set messsage=off end
!
! Dihedral gamma constraints from vsm1 hairpin in GAAAloop
restraints dihedral
;
636 1 643 19 parsed_2m4w 1
4
;
end
set message=on end
set message=off end
restraints dihedral
;
657 1 662 19 parsed_2m4w 1
5
;
end
set message=on end
set messsage=off end
! Dihedral epsilon constraints from vsm1 hairpin in GAAAloop
restraints dihedral
;
743 1 749 19 parsed_2m4w 1
6
;
end
set message=on end
set messsage=off end
! Dihedral zeta constraints from vsm1 hairpin in GAAAloop
restraints dihedral
;
783 1 789 19 parsed_2m4w 1
7
;
end
set message=on end
set messsage=off end
! Dihedral chi constraints from vsm1 hairpin in GAAAloop
restraints dihedral
;
807 1 813 19 parsed_2m4w 1
stop_
save_
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