NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
525540 |
2lbf   |
17557 | cing | 2-parsed | STAR | dihedral angle | 140 |
data_2lbf_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2lbf
_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_2lbf 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2lbf
_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 2lbf "Master copy" parsed_2lbf
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2lbf
_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 2lbf.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2lbf 1
1 2lbf.mr . . XPLOR/CNS 2 distance "hydrogen bond" simple 110 parsed_2lbf 1
1 2lbf.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 140 parsed_2lbf 1
1 2lbf.mr . . XPLOR/CNS 4 distance NOE ambi 0 parsed_2lbf 1
1 2lbf.mr . . XPLOR/CNS 5 distance NOE simple 0 parsed_2lbf 1
1 2lbf.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2lbf 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2lbf
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -111.0 -15.0 . " A" 3 . c " A" 4 . n " A" 4 . ca " A" 4 . c parsed_2lbf 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -119.0 25.0 . " A" 4 . n " A" 4 . ca " A" 4 . c " A" 5 . n parsed_2lbf 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.0 -45.0 . " A" 4 . c " A" 5 . n " A" 5 . ca " A" 5 . c parsed_2lbf 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.0 -11.0 . " A" 5 . n " A" 5 . ca " A" 5 . c " A" 6 . n parsed_2lbf 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -129.0 -9.0 . " A" 5 . c " A" 6 . n " A" 6 . ca " A" 6 . c parsed_2lbf 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 64.0 . " A" 6 . n " A" 6 . ca " A" 6 . c " A" 7 . n parsed_2lbf 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -134.0 -2.0 . " A" 6 . c " A" 7 . n " A" 7 . ca " A" 7 . c parsed_2lbf 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126.0 54.0 . " A" 7 . n " A" 7 . ca " A" 7 . c " A" 8 . n parsed_2lbf 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -118.0 -10.0 . " A" 7 . c " A" 8 . n " A" 8 . ca " A" 8 . c parsed_2lbf 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -129.0 39.0 . " A" 8 . n " A" 8 . ca " A" 8 . c " A" 9 . n parsed_2lbf 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.0 -31.0 . " A" 8 . c " A" 9 . n " A" 9 . ca " A" 9 . c parsed_2lbf 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.0 2.0 . " A" 9 . n " A" 9 . ca " A" 9 . c " A" 10 . n parsed_2lbf 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -108.0 -24.0 . " A" 9 . c " A" 10 . n " A" 10 . ca " A" 10 . c parsed_2lbf 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 11.0 . " A" 10 . n " A" 10 . ca " A" 10 . c " A" 11 . n parsed_2lbf 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 4.0 . " A" 10 . c " A" 11 . n " A" 11 . ca " A" 11 . c parsed_2lbf 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -161.0 103.0 . " A" 11 . n " A" 11 . ca " A" 11 . c " A" 12 . n parsed_2lbf 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -111.0 -15.0 . " A" 11 . c " A" 12 . n " A" 12 . ca " A" 12 . c parsed_2lbf 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -117.0 39.0 . " A" 12 . n " A" 12 . ca " A" 12 . c " A" 13 . n parsed_2lbf 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -101.0 -29.0 . " A" 12 . c " A" 13 . n " A" 13 . ca " A" 13 . c parsed_2lbf 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.0 -16.0 . " A" 13 . n " A" 13 . ca " A" 13 . c " A" 14 . n parsed_2lbf 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -44.0 . " A" 13 . c " A" 14 . n " A" 14 . ca " A" 14 . c parsed_2lbf 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -8.0 . " A" 14 . n " A" 14 . ca " A" 14 . c " A" 15 . n parsed_2lbf 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -28.0 . " A" 14 . c " A" 15 . n " A" 15 . ca " A" 15 . c parsed_2lbf 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 13.0 . " A" 15 . n " A" 15 . ca " A" 15 . c " A" 16 . n parsed_2lbf 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.7 -24.5 . " A" 15 . c " A" 16 . n " A" 16 . ca " A" 16 . c parsed_2lbf 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.3 14.5 . " A" 16 . n " A" 16 . ca " A" 16 . c " A" 17 . n parsed_2lbf 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -143.0 -11.0 . " A" 16 . c " A" 17 . n " A" 17 . ca " A" 17 . c parsed_2lbf 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -121.0 59.0 . " A" 17 . n " A" 17 . ca " A" 17 . c " A" 18 . n parsed_2lbf 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126.0 -6.0 . " A" 24 . c " A" 25 . n " A" 25 . ca " A" 25 . c parsed_2lbf 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.0 26.0 . " A" 25 . n " A" 25 . ca " A" 25 . c " A" 26 . n parsed_2lbf 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -128.0 -8.0 . " A" 25 . c " A" 26 . n " A" 26 . ca " A" 26 . c parsed_2lbf 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -118.0 50.0 . " A" 26 . n " A" 26 . ca " A" 26 . c " A" 27 . n parsed_2lbf 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -33.0 . " A" 26 . c " A" 27 . n " A" 27 . ca " A" 27 . c parsed_2lbf 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -109.0 35.0 . " A" 27 . n " A" 27 . ca " A" 27 . c " A" 28 . n parsed_2lbf 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -108.0 -24.0 . " A" 27 . c " A" 28 . n " A" 28 . ca " A" 28 . c parsed_2lbf 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98.0 10.0 . " A" 28 . n " A" 28 . ca " A" 28 . c " A" 29 . n parsed_2lbf 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -109.0 -25.0 . " A" 28 . c " A" 29 . n " A" 29 . ca " A" 29 . c parsed_2lbf 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.0 24.0 . " A" 29 . n " A" 29 . ca " A" 29 . c " A" 30 . n parsed_2lbf 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -118.0 -22.0 . " A" 29 . c " A" 30 . n " A" 30 . ca " A" 30 . c parsed_2lbf 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -102.0 30.0 . " A" 30 . n " A" 30 . ca " A" 30 . c " A" 31 . n parsed_2lbf 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -108.0 -24.0 . " A" 30 . c " A" 31 . n " A" 31 . ca " A" 31 . c parsed_2lbf 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98.0 10.0 . " A" 31 . n " A" 31 . ca " A" 31 . c " A" 32 . n parsed_2lbf 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -114.0 -18.0 . " A" 31 . c " A" 32 . n " A" 32 . ca " A" 32 . c parsed_2lbf 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -97.0 11.0 . " A" 32 . n " A" 32 . ca " A" 32 . c " A" 33 . n parsed_2lbf 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -107.0 -23.0 . " A" 32 . c " A" 33 . n " A" 33 . ca " A" 33 . c parsed_2lbf 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.0 15.0 . " A" 33 . n " A" 33 . ca " A" 33 . c " A" 34 . n parsed_2lbf 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -129.0 3.0 . " A" 43 . c " A" 44 . n " A" 44 . ca " A" 44 . c parsed_2lbf 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.0 21.0 . " A" 44 . n " A" 44 . ca " A" 44 . c " A" 45 . n parsed_2lbf 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.0 -3.0 . " A" 45 . c " A" 46 . n " A" 46 . ca " A" 46 . c parsed_2lbf 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -141.0 87.0 . " A" 46 . n " A" 46 . ca " A" 46 . c " A" 47 . n parsed_2lbf 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -114.0 -18.0 . " A" 46 . c " A" 47 . n " A" 47 . ca " A" 47 . c parsed_2lbf 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -111.0 21.0 . " A" 47 . n " A" 47 . ca " A" 47 . c " A" 48 . n parsed_2lbf 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -107.0 -23.0 . " A" 47 . c " A" 48 . n " A" 48 . ca " A" 48 . c parsed_2lbf 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.0 10.0 . " A" 48 . n " A" 48 . ca " A" 48 . c " A" 49 . n parsed_2lbf 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126.0 -18.0 . " A" 48 . c " A" 49 . n " A" 49 . ca " A" 49 . c parsed_2lbf 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -116.0 52.0 . " A" 49 . n " A" 49 . ca " A" 49 . c " A" 50 . n parsed_2lbf 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -164.0 4.0 . " A" 49 . c " A" 50 . n " A" 50 . ca " A" 50 . c parsed_2lbf 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -97.0 47.0 . " A" 50 . n " A" 50 . ca " A" 50 . c " A" 51 . n parsed_2lbf 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -204.0 24.0 . " A" 50 . c " A" 51 . n " A" 51 . ca " A" 51 . c parsed_2lbf 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 96.0 . " A" 51 . n " A" 51 . ca " A" 51 . c " A" 52 . n parsed_2lbf 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -136.0 -16.0 . " A" 57 . c " A" 58 . n " A" 58 . ca " A" 58 . c parsed_2lbf 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -97.0 59.0 . " A" 58 . n " A" 58 . ca " A" 58 . c " A" 59 . n parsed_2lbf 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -181.0 -1.0 . " A" 58 . c " A" 59 . n " A" 59 . ca " A" 59 . c parsed_2lbf 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.0 121.0 . " A" 59 . n " A" 59 . ca " A" 59 . c " A" 60 . n parsed_2lbf 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -195.0 21.0 . " A" 59 . c " A" 60 . n " A" 60 . ca " A" 60 . c parsed_2lbf 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -169.0 119.0 . " A" 60 . n " A" 60 . ca " A" 60 . c " A" 61 . n parsed_2lbf 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126.0 -18.0 . " B" 103 . c " B" 104 . n " B" 104 . ca " B" 104 . c parsed_2lbf 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -127.0 65.0 . " B" 104 . n " B" 104 . ca " B" 104 . c " B" 105 . n parsed_2lbf 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.0 -1.0 . " B" 104 . c " B" 105 . n " B" 105 . ca " B" 105 . c parsed_2lbf 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -109.0 35.0 . " B" 105 . n " B" 105 . ca " B" 105 . c " B" 106 . n parsed_2lbf 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -113.0 -29.0 . " B" 105 . c " B" 106 . n " B" 106 . ca " B" 106 . c parsed_2lbf 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -102.0 30.0 . " B" 106 . n " B" 106 . ca " B" 106 . c " B" 107 . n parsed_2lbf 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -183.0 33.0 . " B" 106 . c " B" 107 . n " B" 107 . ca " B" 107 . c parsed_2lbf 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -194.0 142.0 . " B" 107 . n " B" 107 . ca " B" 107 . c " B" 108 . n parsed_2lbf 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -205.0 35.0 . " B" 107 . c " B" 108 . n " B" 108 . ca " B" 108 . c parsed_2lbf 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -207.0 177.0 . " B" 108 . n " B" 108 . ca " B" 108 . c " B" 109 . n parsed_2lbf 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -122.0 -26.0 . " B" 108 . c " B" 109 . n " B" 109 . ca " B" 109 . c parsed_2lbf 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -125.0 67.0 . " B" 109 . n " B" 109 . ca " B" 109 . c " B" 110 . n parsed_2lbf 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -201.0 39.0 . " B" 109 . c " B" 110 . n " B" 110 . ca " B" 110 . c parsed_2lbf 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -199.0 173.0 . " B" 110 . n " B" 110 . ca " B" 110 . c " B" 111 . n parsed_2lbf 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -154.0 14.0 . " B" 119 . c " B" 120 . n " B" 120 . ca " B" 120 . c parsed_2lbf 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.0 38.0 . " B" 120 . n " B" 120 . ca " B" 120 . c " B" 121 . n parsed_2lbf 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -133.0 -13.0 . " B" 120 . c " B" 121 . n " B" 121 . ca " B" 121 . c parsed_2lbf 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -128.0 64.0 . " B" 121 . n " B" 121 . ca " B" 121 . c " B" 122 . n parsed_2lbf 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126.0 -18.0 . " B" 121 . c " B" 122 . n " B" 122 . ca " B" 122 . c parsed_2lbf 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -121.0 59.0 . " B" 122 . n " B" 122 . ca " B" 122 . c " B" 123 . n parsed_2lbf 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -199.0 41.0 . " B" 122 . c " B" 123 . n " B" 123 . ca " B" 123 . c parsed_2lbf 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -215.0 169.0 . " B" 123 . n " B" 123 . ca " B" 123 . c " B" 124 . n parsed_2lbf 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -123.0 -15.0 . " B" 123 . c " B" 124 . n " B" 124 . ca " B" 124 . c parsed_2lbf 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -109.0 35.0 . " B" 124 . n " B" 124 . ca " B" 124 . c " B" 125 . n parsed_2lbf 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -144.0 -12.0 . " B" 124 . c " B" 125 . n " B" 125 . ca " B" 125 . c parsed_2lbf 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -134.0 70.0 . " B" 125 . n " B" 125 . ca " B" 125 . c " B" 126 . n parsed_2lbf 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -115.0 -19.0 . " B" 125 . c " B" 126 . n " B" 126 . ca " B" 126 . c parsed_2lbf 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -112.0 32.0 . " B" 126 . n " B" 126 . ca " B" 126 . c " B" 127 . n parsed_2lbf 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.0 -10.0 . " B" 126 . c " B" 127 . n " B" 127 . ca " B" 127 . c parsed_2lbf 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 46.0 . " B" 127 . n " B" 127 . ca " B" 127 . c " B" 128 . n parsed_2lbf 1
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -128.0 -20.0 . " B" 127 . c " B" 128 . n " B" 128 . ca " B" 128 . c parsed_2lbf 1
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -127.0 65.0 . " B" 128 . n " B" 128 . ca " B" 128 . c " B" 129 . n parsed_2lbf 1
99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -147.0 -15.0 . " B" 128 . c " B" 129 . n " B" 129 . ca " B" 129 . c parsed_2lbf 1
100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 47.0 . " B" 129 . n " B" 129 . ca " B" 129 . c " B" 130 . n parsed_2lbf 1
101 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -171.0 -39.0 . " B" 129 . c " B" 130 . n " B" 130 . ca " B" 130 . c parsed_2lbf 1
102 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -157.0 155.0 . " B" 130 . n " B" 130 . ca " B" 130 . c " B" 131 . n parsed_2lbf 1
103 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 4.0 . " B" 135 . c " B" 136 . n " B" 136 . ca " B" 136 . c parsed_2lbf 1
104 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.0 36.0 . " B" 136 . n " B" 136 . ca " B" 136 . c " B" 137 . n parsed_2lbf 1
105 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -127.0 -19.0 . " B" 136 . c " B" 137 . n " B" 137 . ca " B" 137 . c parsed_2lbf 1
106 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -122.0 58.0 . " B" 137 . n " B" 137 . ca " B" 137 . c " B" 138 . n parsed_2lbf 1
107 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -184.0 20.0 . " B" 137 . c " B" 138 . n " B" 138 . ca " B" 138 . c parsed_2lbf 1
108 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -208.0 164.0 . " B" 138 . n " B" 138 . ca " B" 138 . c " B" 139 . n parsed_2lbf 1
109 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -188.0 28.0 . " B" 138 . c " B" 139 . n " B" 139 . ca " B" 139 . c parsed_2lbf 1
110 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -211.0 173.0 . " B" 139 . n " B" 139 . ca " B" 139 . c " B" 140 . n parsed_2lbf 1
111 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -123.0 -27.0 . " B" 139 . c " B" 140 . n " B" 140 . ca " B" 140 . c parsed_2lbf 1
112 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -127.0 65.0 . " B" 140 . n " B" 140 . ca " B" 140 . c " B" 141 . n parsed_2lbf 1
113 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126.0 -18.0 . " B" 140 . c " B" 141 . n " B" 141 . ca " B" 141 . c parsed_2lbf 1
114 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -121.0 59.0 . " B" 141 . n " B" 141 . ca " B" 141 . c " B" 142 . n parsed_2lbf 1
115 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -132.0 -12.0 . " B" 141 . c " B" 142 . n " B" 142 . ca " B" 142 . c parsed_2lbf 1
116 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -128.0 64.0 . " B" 142 . n " B" 142 . ca " B" 142 . c " B" 143 . n parsed_2lbf 1
117 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -117.0 -21.0 . " B" 142 . c " B" 143 . n " B" 143 . ca " B" 143 . c parsed_2lbf 1
118 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -109.0 35.0 . " B" 143 . n " B" 143 . ca " B" 143 . c " B" 144 . n parsed_2lbf 1
119 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -127.0 -19.0 . " B" 143 . c " B" 144 . n " B" 144 . ca " B" 144 . c parsed_2lbf 1
120 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -115.0 53.0 . " B" 144 . n " B" 144 . ca " B" 144 . c " B" 145 . n parsed_2lbf 1
121 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -183.0 9.0 . " B" 144 . c " B" 145 . n " B" 145 . ca " B" 145 . c parsed_2lbf 1
122 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -201.0 159.0 . " B" 145 . n " B" 145 . ca " B" 145 . c " B" 146 . n parsed_2lbf 1
123 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -217.0 35.0 . " B" 145 . c " B" 146 . n " B" 146 . ca " B" 146 . c parsed_2lbf 1
124 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -212.0 196.0 . " B" 146 . n " B" 146 . ca " B" 146 . c " B" 147 . n parsed_2lbf 1
125 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126.0 -18.0 . " B" 151 . c " B" 152 . n " B" 152 . ca " B" 152 . c parsed_2lbf 1
126 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -121.0 59.0 . " B" 152 . n " B" 152 . ca " B" 152 . c " B" 153 . n parsed_2lbf 1
127 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -154.0 2.0 . " B" 152 . c " B" 153 . n " B" 153 . ca " B" 153 . c parsed_2lbf 1
128 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -128.0 64.0 . " B" 153 . n " B" 153 . ca " B" 153 . c " B" 154 . n parsed_2lbf 1
129 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -149.0 -5.0 . " B" 153 . c " B" 154 . n " B" 154 . ca " B" 154 . c parsed_2lbf 1
130 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -128.0 64.0 . " B" 154 . n " B" 154 . ca " B" 154 . c " B" 155 . n parsed_2lbf 1
131 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -147.0 -3.0 . " B" 154 . c " B" 155 . n " B" 155 . ca " B" 155 . c parsed_2lbf 1
132 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -124.0 56.0 . " B" 155 . n " B" 155 . ca " B" 155 . c " B" 156 . n parsed_2lbf 1
133 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -127.0 -19.0 . " B" 155 . c " B" 156 . n " B" 156 . ca " B" 156 . c parsed_2lbf 1
134 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -115.0 53.0 . " B" 156 . n " B" 156 . ca " B" 156 . c " B" 157 . n parsed_2lbf 1
135 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -182.0 10.0 . " B" 156 . c " B" 157 . n " B" 157 . ca " B" 157 . c parsed_2lbf 1
136 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -118.0 74.0 . " B" 157 . n " B" 157 . ca " B" 157 . c " B" 158 . n parsed_2lbf 1
137 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -4.0 . " B" 157 . c " B" 158 . n " B" 158 . ca " B" 158 . c parsed_2lbf 1
138 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.0 44.0 . " B" 158 . n " B" 158 . ca " B" 158 . c " B" 159 . n parsed_2lbf 1
139 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -171.0 9.0 . " B" 158 . c " B" 159 . n " B" 159 . ca " B" 159 . c parsed_2lbf 1
140 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -102.0 54.0 . " B" 159 . n " B" 159 . ca " B" 159 . c " B" 160 . n parsed_2lbf 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
;
!Restraint file created by talos2xplor.pl
!phi/psi angles predicted from TALOS using errfactor=6
! V 4 - Good: based on both ppm(TALOS) + Jhnha; errfactor=6
;
1 1 4 61 parsed_2lbf 1
2 "! S 5 - Good: based on both ppm(TALOS) + Jhnha; errfactor=6" 9 1 9 61 parsed_2lbf 1
3 "! E 6 - Good: based on both ppm(TALOS) + Jhnha; errfactor=6" 14 1 14 61 parsed_2lbf 1
4 "! L 7 - Good: based on both ppm(TALOS) + Jhnha; errfactor=6" 19 1 19 61 parsed_2lbf 1
5 "! A 8 - Good: based on both ppm(TALOS) + Jhnha; errfactor=6" 24 1 24 61 parsed_2lbf 1
6 "! C 9 - Good: based on both ppm(TALOS) + Jhnha; errfactor=6" 29 1 29 61 parsed_2lbf 1
7 "! I 10 - Good: based on both ppm(TALOS) + Jhnha; errfactor=6" 34 1 34 62 parsed_2lbf 1
8 "! Y 11 - Good: based on both ppm(TALOS) + Jhnha; errfactor=6" 39 1 39 62 parsed_2lbf 1
9 "! S 12 - Ambiguous: based on ppm(TALOS) only; errfactor=6" 44 1 44 59 parsed_2lbf 1
10 "! A 13 - Good: based on both ppm(TALOS) + Jhnha; errfactor=6" 49 1 49 62 parsed_2lbf 1
11 "! L 14 - Good: based on both ppm(TALOS) + Jhnha; errfactor=6" 54 1 54 62 parsed_2lbf 1
12 "! I 15 - Good: based on both ppm(TALOS) + Jhnha; errfactor=6" 59 1 59 62 parsed_2lbf 1
13 "! L 16 - Good: based on both ppm(TALOS) + Jhnha; errfactor=6" 64 1 64 62 parsed_2lbf 1
14 "! H 17 - Good: based on both ppm(TALOS) + Jhnha; errfactor=6" 69 1 69 62 parsed_2lbf 1
15 "! E 25 - Good: based on both ppm(TALOS) + Jhnha; errfactor=6" 74 1 74 62 parsed_2lbf 1
16 "! D 26 - Good: based on both ppm(TALOS) + Jhnha; errfactor=6" 79 1 79 62 parsed_2lbf 1
17 "! K 27 - Good: based on both ppm(TALOS) + Jhnha; errfactor=6" 84 1 84 62 parsed_2lbf 1
18 "! I 28 - Good: based on both ppm(TALOS) + Jhnha; errfactor=6" 89 1 89 62 parsed_2lbf 1
19 "! N 29 - Good: based on both ppm(TALOS) + Jhnha; errfactor=6" 94 1 94 62 parsed_2lbf 1
20 "! A 30 - Good: based on both ppm(TALOS) + Jhnha; errfactor=6" 99 1 99 62 parsed_2lbf 1
21 "! L 31 - Good: based on both ppm(TALOS) + Jhnha; errfactor=6" 104 1 104 62 parsed_2lbf 1
22 "! I 32 - Good: based on both ppm(TALOS) + Jhnha; errfactor=6" 109 1 109 62 parsed_2lbf 1
23 "! K 33 - Good: based on both ppm(TALOS) + Jhnha; errfactor=6" 114 1 114 62 parsed_2lbf 1
24 "! P 44 - Good: based on both ppm(TALOS) + Jhnha; errfactor=6" 119 1 119 62 parsed_2lbf 1
25 "! L 46 - Good: based on both ppm(TALOS) + Jhnha; errfactor=6" 124 1 124 62 parsed_2lbf 1
26 "! F 47 - Good: based on both ppm(TALOS) + Jhnha; errfactor=6" 129 1 129 62 parsed_2lbf 1
27 "! A 48 - Good: based on both ppm(TALOS) + Jhnha; errfactor=6" 134 1 134 62 parsed_2lbf 1
28 "! K 49 - Good: based on both ppm(TALOS) + Jhnha; errfactor=6" 139 1 139 62 parsed_2lbf 1
29 "! A 50 - Good: based on both ppm(TALOS) + Jhnha; errfactor=6" 144 1 144 62 parsed_2lbf 1
30 "! L 51 - Ambiguous: based on ppm(TALOS) only; errfactor=6" 149 1 149 59 parsed_2lbf 1
31 "! S 58 - Ambiguous: based on ppm(TALOS) only; errfactor=6" 154 1 154 59 parsed_2lbf 1
32 "! L 59 - Ambiguous: based on ppm(TALOS) only; errfactor=6" 159 1 159 59 parsed_2lbf 1
33 "! I 60 - Ambiguous: based on ppm(TALOS) only; errfactor=6" 164 1 164 59 parsed_2lbf 1
34
;
!Restraint file created by talos2xplor.pl
!phi/psi angles predicted from TALOS using errfactor=6
! V 104 - Good: based on both ppm(TALOS) + Jhnha; errfactor=6
;
169 1 172 63 parsed_2lbf 1
35 "! A 105 - Good: based on both ppm(TALOS) + Jhnha; errfactor=6" 177 1 177 63 parsed_2lbf 1
36 "! S 106 - Good: based on both ppm(TALOS) + Jhnha; errfactor=6" 182 1 182 63 parsed_2lbf 1
37 "! Y 107 - Good: based on both ppm(TALOS) + Jhnha; errfactor=6" 187 1 187 63 parsed_2lbf 1
38 "! L 108 - Good: based on both ppm(TALOS) + Jhnha; errfactor=6" 192 1 192 63 parsed_2lbf 1
39 "! L 109 - Good: based on both ppm(TALOS) + Jhnha; errfactor=6" 197 1 197 63 parsed_2lbf 1
40 "! A 110 - Good: based on both ppm(TALOS) + Jhnha; errfactor=6" 202 1 202 63 parsed_2lbf 1
41 "! A 120 - Good: based on both ppm(TALOS) + Jhnha; errfactor=6" 207 1 207 63 parsed_2lbf 1
42 "! K 121 - Good: based on both ppm(TALOS) + Jhnha; errfactor=6" 212 1 212 63 parsed_2lbf 1
43 "! D 122 - Good: based on both ppm(TALOS) + Jhnha; errfactor=6" 217 1 217 63 parsed_2lbf 1
44 "! I 123 - Good: based on both ppm(TALOS) + Jhnha; errfactor=6" 222 1 222 63 parsed_2lbf 1
45 "! K 124 - Good: based on both ppm(TALOS) + Jhnha; errfactor=6" 227 1 227 63 parsed_2lbf 1
46 "! K 125 - Good: based on both ppm(TALOS) + Jhnha; errfactor=6" 232 1 232 63 parsed_2lbf 1
47 "! I 126 - Good: based on both ppm(TALOS) + Jhnha; errfactor=6" 237 1 237 63 parsed_2lbf 1
48 "! L 127 - Good: based on both ppm(TALOS) + Jhnha; errfactor=6" 242 1 242 63 parsed_2lbf 1
49 "! D 128 - Good: based on both ppm(TALOS) + Jhnha; errfactor=6" 247 1 247 63 parsed_2lbf 1
50 "! S 129 - Good: based on both ppm(TALOS) + Jhnha; errfactor=6" 252 1 252 63 parsed_2lbf 1
51 "! V 130 - Good: based on both ppm(TALOS) + Jhnha; errfactor=6" 257 1 257 63 parsed_2lbf 1
52 "! D 136 - Good: based on both ppm(TALOS) + Jhnha; errfactor=6" 262 1 262 63 parsed_2lbf 1
53 "! D 137 - Good: based on both ppm(TALOS) + Jhnha; errfactor=6" 267 1 267 63 parsed_2lbf 1
54 "! R 138 - Good: based on both ppm(TALOS) + Jhnha; errfactor=6" 272 1 272 63 parsed_2lbf 1
55 "! L 139 - Good: based on both ppm(TALOS) + Jhnha; errfactor=6" 277 1 277 63 parsed_2lbf 1
56 "! N 140 - Good: based on both ppm(TALOS) + Jhnha; errfactor=6" 282 1 282 63 parsed_2lbf 1
57 "! K 141 - Good: based on both ppm(TALOS) + Jhnha; errfactor=6" 287 1 287 63 parsed_2lbf 1
58 "! V 142 - Good: based on both ppm(TALOS) + Jhnha; errfactor=6" 292 1 292 63 parsed_2lbf 1
59 "! I 143 - Good: based on both ppm(TALOS) + Jhnha; errfactor=6" 297 1 297 63 parsed_2lbf 1
60 "! S 144 - Good: based on both ppm(TALOS) + Jhnha; errfactor=6" 302 1 302 63 parsed_2lbf 1
61 "! E 145 - Good: based on both ppm(TALOS) + Jhnha; errfactor=6" 307 1 307 63 parsed_2lbf 1
62 "! L 146 - Good: based on both ppm(TALOS) + Jhnha; errfactor=6" 312 1 312 63 parsed_2lbf 1
63 "! E 152 - Good: based on both ppm(TALOS) + Jhnha; errfactor=6" 318 1 318 63 parsed_2lbf 1
64 "! D 153 - Good: based on both ppm(TALOS) + Jhnha; errfactor=6" 323 1 323 63 parsed_2lbf 1
65 "! V 154 - Good: based on both ppm(TALOS) + Jhnha; errfactor=6" 328 1 328 63 parsed_2lbf 1
66 "! I 155 - Good: based on both ppm(TALOS) + Jhnha; errfactor=6" 333 1 333 63 parsed_2lbf 1
67 "! A 156 - Good: based on both ppm(TALOS) + Jhnha; errfactor=6" 338 1 338 63 parsed_2lbf 1
68 "! Q 157 - Good: based on both ppm(TALOS) + Jhnha; errfactor=6" 343 1 343 63 parsed_2lbf 1
69 "! G 158 - Good: based on both ppm(TALOS) + Jhnha; errfactor=6" 348 1 348 63 parsed_2lbf 1
70 "! I 159 - Good: based on both ppm(TALOS) + Jhnha; errfactor=6" 353 1 353 63 parsed_2lbf 1
stop_
save_
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