NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
33302 |
1i18   |
4954 | cing | 2-parsed | STAR | dihedral angle | 112 |
data_1i18_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1i18
_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_1i18 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1i18
_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 1i18 "Master copy" parsed_1i18
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1i18
_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 1i18.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1i18 1
1 1i18.mr . . XPLOR/CNS 2 distance NOE simple 2558 parsed_1i18 1
1 1i18.mr . . XPLOR/CNS 3 distance NOE ambi 11 parsed_1i18 1
1 1i18.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 112 parsed_1i18 1
1 1i18.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1i18 1
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1i18
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 4
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90 150 . A 21 . N A 21 . CA A 21 . C A 22 . N parsed_1i18 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -40 . A 65 . C A 66 . N A 66 . CA A 66 . C parsed_1i18 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -40 . A 66 . C A 67 . N A 67 . CA A 67 . C parsed_1i18 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -40 . A 77 . C A 78 . N A 78 . CA A 78 . C parsed_1i18 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . A 29 . C A 30 . N A 30 . CA A 30 . C parsed_1i18 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . A 30 . C A 31 . N A 31 . CA A 31 . C parsed_1i18 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -40 . A 56 . C A 57 . N A 57 . CA A 57 . C parsed_1i18 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90 150 . B 21 . N B 21 . CA B 21 . C B 22 . N parsed_1i18 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -40 . B 65 . C B 66 . N B 66 . CA B 66 . C parsed_1i18 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -40 . B 66 . C B 67 . N B 67 . CA B 67 . C parsed_1i18 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -40 . B 77 . C B 78 . N B 78 . CA B 78 . C parsed_1i18 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . B 29 . C B 30 . N B 30 . CA B 30 . C parsed_1i18 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . B 30 . C B 31 . N B 31 . CA B 31 . C parsed_1i18 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -40 . B 56 . C B 57 . N B 57 . CA B 57 . C parsed_1i18 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15 105 . A 3 . N A 3 . CA A 3 . CB A 3 . OG1 parsed_1i18 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105 -15 . A 5 . N A 5 . CA A 5 . CB A 5 . CG1 parsed_1i18 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105 -15 . A 6 . N A 6 . CA A 6 . CB A 6 . CG2 parsed_1i18 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15 105 . A 9 . N A 9 . CA A 9 . CB A 9 . OG1 parsed_1i18 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135 225 . A 11 . N A 11 . CA A 11 . CB A 11 . CG parsed_1i18 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135 225 . A 12 . N A 12 . CA A 12 . CB A 12 . CG parsed_1i18 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135 225 . A 13 . N A 13 . CA A 13 . CB A 13 . CG2 parsed_1i18 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105 -15 . A 15 . N A 15 . CA A 15 . CB A 15 . CG1 parsed_1i18 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105 -15 . A 18 . N A 18 . CA A 18 . CB A 18 . CG parsed_1i18 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 12 42 . A 19 . N A 19 . CA A 19 . CB A 19 . CG parsed_1i18 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105 -15 . A 20 . N A 20 . CA A 20 . CB A 20 . CG parsed_1i18 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105 -15 . A 23 . N A 23 . CA A 23 . CB A 23 . OG1 parsed_1i18 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105 -15 . A 24 . N A 24 . CA A 24 . CB A 24 . CG parsed_1i18 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105 -15 . A 25 . N A 25 . CA A 25 . CB A 25 . CG2 parsed_1i18 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15 105 . A 26 . N A 26 . CA A 26 . CB A 26 . CG2 parsed_1i18 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135 225 . A 27 . N A 27 . CA A 27 . CB A 27 . CG parsed_1i18 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135 225 . A 28 . N A 28 . CA A 28 . CB A 28 . CG parsed_1i18 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 12 42 . A 29 . N A 29 . CA A 29 . CB A 29 . CG parsed_1i18 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15 105 . A 31 . N A 31 . CA A 31 . CB A 31 . CG parsed_1i18 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135 225 . A 36 . N A 36 . CA A 36 . CB A 36 . CG parsed_1i18 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15 105 . A 38 . N A 38 . CA A 38 . CB A 38 . OG1 parsed_1i18 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15 105 . A 41 . N A 41 . CA A 41 . CB A 41 . OG parsed_1i18 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105 -15 . A 42 . N A 42 . CA A 42 . CB A 42 . CG2 parsed_1i18 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135 225 . A 45 . N A 45 . CA A 45 . CB A 45 . CG parsed_1i18 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135 225 . A 47 . N A 47 . CA A 47 . CB A 47 . SG parsed_1i18 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15 105 . A 48 . N A 48 . CA A 48 . CB A 48 . SG parsed_1i18 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15 105 . A 49 . N A 49 . CA A 49 . CB A 49 . CG parsed_1i18 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105 -15 . A 50 . N A 50 . CA A 50 . CB A 50 . OG1 parsed_1i18 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105 -15 . A 51 . N A 51 . CA A 51 . CB A 51 . CG2 parsed_1i18 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15 105 . A 52 . N A 52 . CA A 52 . CB A 52 . OG1 parsed_1i18 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105 -15 . A 54 . N A 54 . CA A 54 . CB A 54 . CG1 parsed_1i18 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105 -15 . A 55 . N A 55 . CA A 55 . CB A 55 . CG parsed_1i18 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15 105 . A 57 . N A 57 . CA A 57 . CB A 57 . CG parsed_1i18 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105 -15 . A 58 . N A 58 . CA A 58 . CB A 58 . CG parsed_1i18 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105 -15 . A 59 . N A 59 . CA A 59 . CB A 59 . CG2 parsed_1i18 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15 105 . A 62 . N A 62 . CA A 62 . CB A 62 . CG parsed_1i18 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105 -15 . A 67 . N A 67 . CA A 67 . CB A 67 . OG1 parsed_1i18 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135 225 . A 68 . N A 68 . CA A 68 . CB A 68 . CG parsed_1i18 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135 225 . A 70 . N A 70 . CA A 70 . CB A 70 . CG1 parsed_1i18 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15 105 . A 71 . N A 71 . CA A 71 . CB A 71 . OG1 parsed_1i18 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135 225 . A 72 . N A 72 . CA A 72 . CB A 72 . CG parsed_1i18 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15 105 . A 75 . N A 75 . CA A 75 . CB A 75 . CG parsed_1i18 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105 -15 . A 76 . N A 76 . CA A 76 . CB A 76 . CG parsed_1i18 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105 -15 . A 78 . N A 78 . CA A 78 . CB A 78 . CG2 parsed_1i18 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105 -15 . A 81 . N A 81 . CA A 81 . CB A 81 . CG parsed_1i18 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135 225 . A 82 . N A 82 . CA A 82 . CB A 82 . CG2 parsed_1i18 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105 -15 . A 83 . N A 83 . CA A 83 . CB A 83 . CG parsed_1i18 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15 105 . A 84 . N A 84 . CA A 84 . CB A 84 . CG2 parsed_1i18 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15 105 . A 90 . N A 90 . CA A 90 . CB A 90 . CG parsed_1i18 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15 105 . B 3 . N B 3 . CA B 3 . CB B 3 . OG1 parsed_1i18 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105 -15 . B 5 . N B 5 . CA B 5 . CB B 5 . CG1 parsed_1i18 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105 -15 . B 6 . N B 6 . CA B 6 . CB B 6 . CG2 parsed_1i18 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15 105 . B 9 . N B 9 . CA B 9 . CB B 9 . OG1 parsed_1i18 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135 225 . B 11 . N B 11 . CA B 11 . CB B 11 . CG parsed_1i18 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135 225 . B 12 . N B 12 . CA B 12 . CB B 12 . CG parsed_1i18 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135 225 . B 13 . N B 13 . CA B 13 . CB B 13 . CG2 parsed_1i18 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105 -15 . B 15 . N B 15 . CA B 15 . CB B 15 . CG1 parsed_1i18 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105 -15 . B 18 . N B 18 . CA B 18 . CB B 18 . CG parsed_1i18 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 12 42 . B 19 . N B 19 . CA B 19 . CB B 19 . CG parsed_1i18 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105 -15 . B 20 . N B 20 . CA B 20 . CB B 20 . CG parsed_1i18 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105 -15 . B 23 . N B 23 . CA B 23 . CB B 23 . OG1 parsed_1i18 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105 -15 . B 24 . N B 24 . CA B 24 . CB B 24 . CG parsed_1i18 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105 -15 . B 25 . N B 25 . CA B 25 . CB B 25 . CG2 parsed_1i18 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15 105 . B 26 . N B 26 . CA B 26 . CB B 26 . CG2 parsed_1i18 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135 225 . B 27 . N B 27 . CA B 27 . CB B 27 . CG parsed_1i18 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135 225 . B 28 . N B 28 . CA B 28 . CB B 28 . CG parsed_1i18 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 12 42 . B 29 . N B 29 . CA B 29 . CB B 29 . CG parsed_1i18 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15 105 . B 31 . N B 31 . CA B 31 . CB B 31 . CG parsed_1i18 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135 225 . B 36 . N B 36 . CA B 36 . CB B 36 . CG parsed_1i18 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15 105 . B 38 . N B 38 . CA B 38 . CB B 38 . OG1 parsed_1i18 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15 105 . B 41 . N B 41 . CA B 41 . CB B 41 . OG parsed_1i18 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105 -15 . B 42 . N B 42 . CA B 42 . CB B 42 . CG2 parsed_1i18 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135 225 . B 45 . N B 45 . CA B 45 . CB B 45 . CG parsed_1i18 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135 225 . B 47 . N B 47 . CA B 47 . CB B 47 . SG parsed_1i18 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15 105 . B 48 . N B 48 . CA B 48 . CB B 48 . SG parsed_1i18 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15 105 . B 49 . N B 49 . CA B 49 . CB B 49 . CG parsed_1i18 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105 -15 . B 50 . N B 50 . CA B 50 . CB B 50 . OG1 parsed_1i18 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105 -15 . B 51 . N B 51 . CA B 51 . CB B 51 . CG2 parsed_1i18 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15 105 . B 52 . N B 52 . CA B 52 . CB B 52 . OG1 parsed_1i18 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105 -15 . B 54 . N B 54 . CA B 54 . CB B 54 . CG1 parsed_1i18 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105 -15 . B 55 . N B 55 . CA B 55 . CB B 55 . CG parsed_1i18 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15 105 . B 57 . N B 57 . CA B 57 . CB B 57 . CG parsed_1i18 1
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105 -15 . B 58 . N B 58 . CA B 58 . CB B 58 . CG parsed_1i18 1
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105 -15 . B 59 . N B 59 . CA B 59 . CB B 59 . CG2 parsed_1i18 1
99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15 105 . B 62 . N B 62 . CA B 62 . CB B 62 . CG parsed_1i18 1
100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105 -15 . B 67 . N B 67 . CA B 67 . CB B 67 . OG1 parsed_1i18 1
101 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135 225 . B 68 . N B 68 . CA B 68 . CB B 68 . CG parsed_1i18 1
102 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135 225 . B 70 . N B 70 . CA B 70 . CB B 70 . CG1 parsed_1i18 1
103 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15 105 . B 71 . N B 71 . CA B 71 . CB B 71 . OG1 parsed_1i18 1
104 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135 225 . B 72 . N B 72 . CA B 72 . CB B 72 . CG parsed_1i18 1
105 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15 105 . B 75 . N B 75 . CA B 75 . CB B 75 . CG parsed_1i18 1
106 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105 -15 . B 76 . N B 76 . CA B 76 . CB B 76 . CG parsed_1i18 1
107 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105 -15 . B 78 . N B 78 . CA B 78 . CB B 78 . CG2 parsed_1i18 1
108 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105 -15 . B 81 . N B 81 . CA B 81 . CB B 81 . CG parsed_1i18 1
109 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135 225 . B 82 . N B 82 . CA B 82 . CB B 82 . CG2 parsed_1i18 1
110 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105 -15 . B 83 . N B 83 . CA B 83 . CB B 83 . CG parsed_1i18 1
111 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15 105 . B 84 . N B 84 . CA B 84 . CB B 84 . CG2 parsed_1i18 1
112 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15 105 . B 90 . N B 90 . CA B 90 . CB B 90 . CG parsed_1i18 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 "(segid A and resid 21 and name CA)(segid A and resid 21 and name C ) 5 -60 30 2" 1 1 1 96 parsed_1i18 1
2 "j < 4 Hz now a J-restraint" 18 95 18 123 parsed_1i18 1
3
;
j < 4 Hz now a J-restraint
test for N57
;
21 95 24 15 parsed_1i18 1
4
;
tests for b3-b4 turn type III
(segid A and resid 44 and name C )(segid A and resid 45 and name N ) 0.002 120 20 2
(segid A and resid 45 and name CA )(segid A and resid 45 and name C ) 0.002 60 20 2
(segid A and resid 45 and name C )(segid A and resid 46 and name N ) 0.002 30 20 2
(segid A and resid 46 and name CA)(segid A and resid 46 and name C ) 0.002 60 20 2
(segid A and resid 46 and name C )(segid A and resid 47 and name N ) 0.002 30 20 2
(segid A and resid 47 and name CA)(segid A and resid 47 and name C ) 0.002 -120 20 2
test for b1-b2 type I
(segid A and resid 18 and name C )(segid A and resid 19 and name N ) 0.002 120 20 2
(segid A and resid 19 and name CA )(segid A and resid 19 and name C ) 0.002 -60 20 2
(segid A and resid 19 and name C )(segid A and resid 20 and name N ) 0.002 -30 20 2
(segid A and resid 20 and name CA)(segid A and resid 20 and name C ) 0.002 -90 20 2
(segid A and resid 20 and name C )(segid A and resid 21 and name N ) 0.002 0 20 2
(segid A and resid 21 and name CA)(segid A and resid 21 and name C ) 0.002 -120 20 2
(segid B and resid 21 and name CA)(segid B and resid 21 and name C ) 5 -60 30 2
;
29 1 67 96 parsed_1i18 1
5 "j < 4 Hz now a J-restraint" 84 95 84 123 parsed_1i18 1
6
;
j < 4 Hz now a J-restraint
test for N57
;
87 95 90 15 parsed_1i18 1
7
;
tests for b3-b4 turn type III
(segid B and resid 44 and name C )(segid B and resid 45 and name N ) 0.002 120 20 2
(segid B and resid 45 and name CA )(segid B and resid 45 and name C ) 0.002 60 20 2
(segid B and resid 45 and name C )(segid B and resid 46 and name N ) 0.002 30 20 2
(segid B and resid 46 and name CA)(segid B and resid 46 and name C ) 0.002 60 20 2
(segid B and resid 46 and name C )(segid B and resid 47 and name N ) 0.002 30 20 2
(segid B and resid 47 and name CA)(segid B and resid 47 and name C ) 0.002 -120 20 2
test for b1-b2 type I
(segid B and resid 18 and name C )(segid B and resid 19 and name N ) 0.002 120 20 2
(segid B and resid 19 and name CA )(segid B and resid 19 and name C ) 0.002 -60 20 2
(segid B and resid 19 and name C )(segid B and resid 20 and name N ) 0.002 -30 20 2
(segid B and resid 20 and name CA)(segid B and resid 20 and name C ) 0.002 -90 20 2
(segid B and resid 20 and name C )(segid B and resid 21 and name N ) 0.002 0 20 2
(segid B and resid 21 and name CA)(segid B and resid 21 and name C ) 0.002 -120 20 2
M1,F2
F2 ! HNb s Hab s HN(i+1)b w chi1=60 HB2
(segid A and resid 2 and name CB )(segid A and resid 2 and name CG ) 1 60 45 2
T3 ! HNb w HAb s chi1=+60
;
95 1 139 29 parsed_1i18 1
8
;
G4
I5 ! HNb s HAw chi1=-60
;
142 1 144 26 parsed_1i18 1
9 "V6 ! HNb s HAb w chi1=-60" 149 1 149 27 parsed_1i18 1
10
;
G8
T9 ! HNb w HAb s chi1=+60
;
153 1 155 29 parsed_1i18 1
11
;
A10
K11 ! HNb s HAb s chi1=180 HB2
;
159 1 161 32 parsed_1i18 1
12 "L12 ! HNb s HAb s chi1=180 HB2" 165 1 165 32 parsed_1i18 1
13 "V13 ! HNb s HAb s chi1=180" 170 1 170 28 parsed_1i18 1
14
;
S14 not consistent
I15 ! HNb s HAb w chi1=-60
;
175 1 177 28 parsed_1i18 1
15
;
D16 not consistent
E17 ! HNb s? HAb w chi1=180? HB1?
(segid A and resid 17 and name CB )(segid A and resid 17 and name CG ) 1 180 45 2
K18 ! HNb s HAb w chi1=-60 HB2
;
182 1 187 33 parsed_1i18 1
16 "P19 ! HAb s HN(i+1)b s? HB2 chi1=+ve DOWN" 191 1 191 45 parsed_1i18 1
17
;
N20 overlap
F21 ! HNb ? HAb s HN(i+1)b s chi1=+60
;
195 1 197 39 parsed_1i18 1
18
;
R22 equivilent
T23 ! HNb s HAb w chi1=-60
;
201 1 204 29 parsed_1i18 1
19 "H24! HNb ? HAb s HN(i+1)b s chi1=-60" 208 1 208 38 parsed_1i18 1
20 "V25 ! HNb s HAb w chi1=-60" 212 1 212 29 parsed_1i18 1
21 "V26 ! HNb w HAb s chi1=+60" 216 1 216 29 parsed_1i18 1
22 "E27 ! HNb s? HAb s chi1=180 HB2" 220 1 220 33 parsed_1i18 1
23 "L28 ! HNb s HAb w chi1=180 HB1" 224 1 224 32 parsed_1i18 1
24 "P29 ! HAb s HN(i+1)b w chi1=+ve DOWN" 228 1 228 40 parsed_1i18 1
25
;
D30 equivalent
H31 ! HNb s HAb s chi1=60 HB1
;
232 1 234 31 parsed_1i18 1
26
;
M32 overlapped, L33 not consistent, D34 equivalent
G35
L36 ! HNb s HAb s chi1=180 HB2
;
238 1 242 33 parsed_1i18 1
27
;
E37 overlapped
T38 ! HNb w HAb s chi1=+60
;
246 1 248 30 parsed_1i18 1
28
;
G39, A40
S41 ! HNb s HAb s HN(i+1)b w chi1=+60 HB1
;
252 1 254 43 parsed_1i18 1
29 "V42 ! HNb s HAb w chi1=-60" 258 1 258 29 parsed_1i18 1
30
;
A43
H44 overlap, N45 not consistent, G46
N45 ! ! HNb ? HAb w HN(i+1)b s HB1 chi1=180
;
262 1 267 45 parsed_1i18 1
31 "C47 ! HNb s HAb s HB2 chi1=180" 271 1 271 32 parsed_1i18 1
32 "C48 ! HNb s HAb s chi1=60 HB1" 275 1 275 31 parsed_1i18 1
33 "L49 ! HNb w HAb s chi1=+60 HB2" 280 1 280 32 parsed_1i18 1
34 "T50 ! HNb s HAb w chi1=-60" 284 1 284 28 parsed_1i18 1
35 "V51 ! HNb s HAb w chi1=-60" 288 1 288 28 parsed_1i18 1
36 "T52 ! HNb w HAb s chi1=+60" 292 1 292 28 parsed_1i18 1
37
;
E53 equiv.
I54 ! HNb s HAb w chi1=-60
;
296 1 298 29 parsed_1i18 1
38 "N55 ! HNb w HAb s chi1=60 HB2" 302 1 302 31 parsed_1i18 1
39
;
G56
N57 ! HNb s HAb s HN(i+1)b w chi1=60 HB1
;
306 1 308 42 parsed_1i18 1
40 "H58 ! HNb s HAb s chi1=180 HB2" 312 1 312 32 parsed_1i18 1
41 "V59 ! HNb s HAb w chi1=-60" 316 1 316 28 parsed_1i18 1
42
;
S60 equiv., F61 overlap
D62 ! HNb w HAb s chi1=+60 HB2
;
320 1 322 33 parsed_1i18 1
43
;
L63 ! HNb s HAb s chi1=180 HB2
(segid A and resid 63 and name CB )(segid A and resid 63 and name CG ) 1 180 45 2
M64 equiv. !K65 overlap, E66 not consistent?
T67 ! HNb s HAb w chi1=-60
;
326 1 331 28 parsed_1i18 1
44 "L68 ! HNb s HAb s chi1=180 HB2" 335 1 335 32 parsed_1i18 1
45
;
R69 not consistent
I70 ! HNb s HAb s chi1=180
;
339 1 341 28 parsed_1i18 1
46 "T71 ! HNb w HAb s HN(i+1)b s chi1 = +60" 345 1 345 41 parsed_1i18 1
47 "N72 ! HNb s HAb w chi1=180 HB1" 349 1 349 32 parsed_1i18 1
48
;
L73 overlap
D75 ! HNb s HAb s chi1=+60 HB1
;
353 1 355 32 parsed_1i18 1
49 "L76 ! HNb w HAb s chi1=-60 HB1" 359 1 359 32 parsed_1i18 1
50
;
K77 equiv.
V78 ! HNb s HAb w chi1=-60
;
363 1 365 29 parsed_1i18 1
51
;
D80 not consistent
W81 HNb w HAb s chi1=-60 HB1
;
369 1 371 31 parsed_1i18 1
52 "V82 ! HNb w? HAb s chi1=+180" 375 1 375 30 parsed_1i18 1
53 "N83 ! HNb w HAb s chi1=-60 HB1" 379 1 379 32 parsed_1i18 1
54 "V84 ! HNb w HAb s chi1=+60" 383 1 383 28 parsed_1i18 1
55
;
E85 overlapped?, R86 overlapped
A87, A88, K89 equiv.
F90 ! HNb s HAb s chi1=+60 HB1
;
387 1 391 32 parsed_1i18 1
56
;
M1,F2
F2 ! HNb s Hab s HN(i+1)b w chi1=60 HB2
(segid B and resid 2 and name CB )(segid B and resid 2 and name CG ) 1 60 45 2
T3 ! HNb w HAb s chi1=+60
;
395 1 404 29 parsed_1i18 1
57
;
G4
I5 ! HNb s HAw chi1=-60
;
407 1 409 26 parsed_1i18 1
58 "V6 ! HNb s HAb w chi1=-60" 414 1 414 27 parsed_1i18 1
59
;
G8
T9 ! HNb w HAb s chi1=+60
;
418 1 420 29 parsed_1i18 1
60
;
A10
K11 ! HNb s HAb s chi1=180 HB2
;
424 1 426 32 parsed_1i18 1
61 "L12 ! HNb s HAb s chi1=180 HB2" 430 1 430 32 parsed_1i18 1
62 "V13 ! HNb s HAb s chi1=180" 435 1 435 28 parsed_1i18 1
63
;
S14 not consistent
I15 ! HNb s HAb w chi1=-60
;
440 1 442 28 parsed_1i18 1
64
;
D16 not consistent
E17 ! HNb s? HAb w chi1=180? HB1?
(segid B and resid 17 and name CB )(segid B and resid 17 and name CG ) 1 180 45 2
K18 ! HNb s HAb w chi1=-60 HB2
;
447 1 452 33 parsed_1i18 1
65 "P19 ! HAb s HN(i+1)b s? HB2 chi1=+ve DOWN" 456 1 456 45 parsed_1i18 1
66
;
N20 overlap
F21 ! HNb ? HAb s HN(i+1)b s chi1=+60
;
460 1 462 39 parsed_1i18 1
67
;
R22 equivilent
T23 ! HNb s HAb w chi1=-60
;
466 1 469 29 parsed_1i18 1
68 "H24! HNb ? HAb s HN(i+1)b s chi1=-60" 473 1 473 38 parsed_1i18 1
69 "V25 ! HNb s HAb w chi1=-60" 477 1 477 29 parsed_1i18 1
70 "V26 ! HNb w HAb s chi1=+60" 481 1 481 29 parsed_1i18 1
71 "E27 ! HNb s? HAb s chi1=180 HB2" 485 1 485 33 parsed_1i18 1
72 "L28 ! HNb s HAb w chi1=180 HB1" 489 1 489 32 parsed_1i18 1
73 "P29 ! HAb s HN(i+1)b w chi1=+ve DOWN" 493 1 493 40 parsed_1i18 1
74
;
D30 equivalent
H31 ! HNb s HAb s chi1=60 HB1
;
497 1 499 31 parsed_1i18 1
75
;
M32 overlapped, L33 not consistent, D34 equivalent
G35
L36 ! HNb s HAb s chi1=180 HB2
;
503 1 507 33 parsed_1i18 1
76
;
E37 overlapped
T38 ! HNb w HAb s chi1=+60
;
511 1 513 30 parsed_1i18 1
77
;
G39, A40
S41 ! HNb s HAb s HN(i+1)b w chi1=+60 HB1
;
517 1 519 43 parsed_1i18 1
78 "V42 ! HNb s HAb w chi1=-60" 523 1 523 29 parsed_1i18 1
79
;
A43
H44 overlap, N45 not consistent, G46
N45 ! ! HNb ? HAb w HN(i+1)b s HB1 chi1=180
;
527 1 532 45 parsed_1i18 1
80 "C47 ! HNb s HAb s HB2 chi1=180" 536 1 536 32 parsed_1i18 1
81 "C48 ! HNb s HAb s chi1=60 HB1" 540 1 540 31 parsed_1i18 1
82 "L49 ! HNb w HAb s chi1=+60 HB2" 545 1 545 32 parsed_1i18 1
83 "T50 ! HNb s HAb w chi1=-60" 549 1 549 28 parsed_1i18 1
84 "V51 ! HNb s HAb w chi1=-60" 553 1 553 28 parsed_1i18 1
85 "T52 ! HNb w HAb s chi1=+60" 557 1 557 28 parsed_1i18 1
86
;
E53 equiv.
I54 ! HNb s HAb w chi1=-60
;
561 1 563 29 parsed_1i18 1
87 "N55 ! HNb w HAb s chi1=60 HB2" 567 1 567 31 parsed_1i18 1
88
;
G56
N57 ! HNb s HAb s HN(i+1)b w chi1=60 HB1
;
571 1 573 42 parsed_1i18 1
89 "H58 ! HNb s HAb s chi1=180 HB2" 577 1 577 32 parsed_1i18 1
90 "V59 ! HNb s HAb w chi1=-60" 581 1 581 28 parsed_1i18 1
91
;
S60 equiv., F61 overlap
D62 ! HNb w HAb s chi1=+60 HB2
;
585 1 587 33 parsed_1i18 1
92
;
L63 ! HNb s HAb s chi1=180 HB2
(segid B and resid 63 and name CB )(segid B and resid 63 and name CG ) 1 180 45 2
M64 equiv. !K65 overlap, E66 not consistent?
T67 ! HNb s HAb w chi1=-60
;
591 1 596 28 parsed_1i18 1
93 "L68 ! HNb s HAb s chi1=180 HB2" 600 1 600 32 parsed_1i18 1
94
;
R69 not consistent
I70 ! HNb s HAb s chi1=180
;
604 1 606 28 parsed_1i18 1
95 "T71 ! HNb w HAb s HN(i+1)b s chi1 = +60" 610 1 610 41 parsed_1i18 1
96 "N72 ! HNb s HAb w chi1=180 HB1" 614 1 614 32 parsed_1i18 1
97
;
L73 overlap
D75 ! HNb s HAb s chi1=+60 HB1
;
618 1 620 32 parsed_1i18 1
98 "L76 ! HNb w HAb s chi1=-60 HB1" 624 1 624 32 parsed_1i18 1
99
;
K77 equiv.
V78 ! HNb s HAb w chi1=-60
;
628 1 630 29 parsed_1i18 1
100
;
D80 not consistent
W81 HNb w HAb s chi1=-60 HB1
;
634 1 636 31 parsed_1i18 1
101 "V82 ! HNb w? HAb s chi1=+180" 640 1 640 30 parsed_1i18 1
102 "N83 ! HNb w HAb s chi1=-60 HB1" 644 1 644 32 parsed_1i18 1
103 "V84 ! HNb w HAb s chi1=+60" 648 1 648 28 parsed_1i18 1
104
;
E85 overlapped?, R86 overlapped
A87, A88, K89 equiv.
F90 ! HNb s HAb s chi1=+60 HB1
;
652 1 656 32 parsed_1i18 1
stop_
save_
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