NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
280960 |
2kqp   |
16608 | cing | 2-parsed | STAR | dihedral angle | 97 |
data_2kqp_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2kqp
_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_2kqp 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2kqp
_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 2kqp "Master copy" parsed_2kqp
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2kqp
_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 2kqp.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2kqp 1
1 2kqp.mr . . XPLOR/CNS 2 distance NOE simple 939 parsed_2kqp 1
1 2kqp.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 97 parsed_2kqp 1
1 2kqp.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2kqp 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2kqp
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175 -75 . . 1 . c . 2 . n . 2 . ca . 2 . c parsed_2kqp 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 93 193 . . 2 . n . 2 . ca . 2 . c . 3 . n parsed_2kqp 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -174 -34 . . 2 . c . 3 . n . 3 . ca . 3 . c parsed_2kqp 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111 171 . . 3 . n . 3 . ca . 3 . c . 4 . n parsed_2kqp 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -154 -54 . . 3 . c . 4 . n . 4 . ca . 4 . c parsed_2kqp 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 87 187 . . 4 . n . 4 . ca . 4 . c . 5 . n parsed_2kqp 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95 -55 . . 4 . c . 5 . n . 5 . ca . 5 . c parsed_2kqp 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103 163 . . 5 . n . 5 . ca . 5 . c . 6 . n parsed_2kqp 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130 -70 . . 5 . c . 6 . n . 6 . ca . 6 . c parsed_2kqp 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116 156 . . 6 . n . 6 . ca . 6 . c . 7 . n parsed_2kqp 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -125 -65 . . 6 . c . 7 . n . 7 . ca . 7 . c parsed_2kqp 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 63 203 . . 7 . n . 7 . ca . 7 . c . 8 . n parsed_2kqp 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81 -41 . . 7 . c . 8 . n . 8 . ca . 8 . c parsed_2kqp 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55 -15 . . 8 . n . 8 . ca . 8 . c . 9 . n parsed_2kqp 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83 -43 . . 8 . c . 9 . n . 9 . ca . 9 . c parsed_2kqp 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63 -23 . . 9 . n . 9 . ca . 9 . c . 10 . n parsed_2kqp 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88 -48 . . 9 . c . 10 . n . 10 . ca . 10 . c parsed_2kqp 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55 -15 . . 10 . n . 10 . ca . 10 . c . 11 . n parsed_2kqp 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89 -49 . . 10 . c . 11 . n . 11 . ca . 11 . c parsed_2kqp 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58 -18 . . 11 . n . 11 . ca . 11 . c . 12 . n parsed_2kqp 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81 -41 . . 11 . c . 12 . n . 12 . ca . 12 . c parsed_2kqp 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65 -25 . . 12 . n . 12 . ca . 12 . c . 13 . n parsed_2kqp 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -40 . . 12 . c . 13 . n . 13 . ca . 13 . c parsed_2kqp 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60 -20 . . 13 . n . 13 . ca . 13 . c . 14 . n parsed_2kqp 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86 -46 . . 13 . c . 14 . n . 14 . ca . 14 . c parsed_2kqp 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59 -19 . . 14 . n . 14 . ca . 14 . c . 15 . n parsed_2kqp 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83 -43 . . 14 . c . 15 . n . 15 . ca . 15 . c parsed_2kqp 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62 -22 . . 15 . n . 15 . ca . 15 . c . 16 . n parsed_2kqp 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83 -43 . . 15 . c . 16 . n . 16 . ca . 16 . c parsed_2kqp 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73 -13 . . 16 . n . 16 . ca . 16 . c . 17 . n parsed_2kqp 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83 -43 . . 16 . c . 17 . n . 17 . ca . 17 . c parsed_2kqp 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63 -23 . . 17 . n . 17 . ca . 17 . c . 18 . n parsed_2kqp 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105 -45 . . 17 . c . 18 . n . 18 . ca . 18 . c parsed_2kqp 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63 -3 . . 18 . n . 18 . ca . 18 . c . 19 . n parsed_2kqp 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -97 -37 . . 20 . c . 21 . n . 21 . ca . 21 . c parsed_2kqp 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68 -8 . . 21 . n . 21 . ca . 21 . c . 22 . n parsed_2kqp 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -108 -48 . . 21 . c . 22 . n . 22 . ca . 22 . c parsed_2kqp 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52 8 . . 22 . n . 22 . ca . 22 . c . 23 . n parsed_2kqp 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 48 108 . . 22 . c . 23 . n . 23 . ca . 23 . c parsed_2kqp 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -6 54 . . 23 . n . 23 . ca . 23 . c . 24 . n parsed_2kqp 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -144 -84 . . 23 . c . 24 . n . 24 . ca . 24 . c parsed_2kqp 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117 177 . . 24 . n . 24 . ca . 24 . c . 25 . n parsed_2kqp 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145 -45 . . 24 . c . 25 . n . 25 . ca . 25 . c parsed_2kqp 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 165 . . 25 . n . 25 . ca . 25 . c . 26 . n parsed_2kqp 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -134 -34 . . 25 . c . 26 . n . 26 . ca . 26 . c parsed_2kqp 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108 168 . . 26 . n . 26 . ca . 26 . c . 27 . n parsed_2kqp 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -159 -59 . . 26 . c . 27 . n . 27 . ca . 27 . c parsed_2kqp 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 99 159 . . 27 . n . 27 . ca . 27 . c . 28 . n parsed_2kqp 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -113 -53 . . 53 . c . 54 . n . 54 . ca . 54 . c parsed_2kqp 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117 177 . . 54 . n . 54 . ca . 54 . c . 55 . n parsed_2kqp 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81 -41 . . 54 . c . 55 . n . 55 . ca . 55 . c parsed_2kqp 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105 -45 . . 55 . c . 56 . n . 56 . ca . 56 . c parsed_2kqp 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79 21 . . 56 . n . 56 . ca . 56 . c . 57 . n parsed_2kqp 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105 -45 . . 56 . c . 57 . n . 57 . ca . 57 . c parsed_2kqp 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94 46 . . 57 . n . 57 . ca . 57 . c . 58 . n parsed_2kqp 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -104 -44 . . 57 . c . 58 . n . 58 . ca . 58 . c parsed_2kqp 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73 27 . . 58 . n . 58 . ca . 58 . c . 59 . n parsed_2kqp 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98 -38 . . 58 . c . 59 . n . 59 . ca . 59 . c parsed_2kqp 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81 19 . . 59 . n . 59 . ca . 59 . c . 60 . n parsed_2kqp 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87 -47 . . 59 . c . 60 . n . 60 . ca . 60 . c parsed_2kqp 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87 13 . . 60 . n . 60 . ca . 60 . c . 61 . n parsed_2kqp 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98 -38 . . 60 . c . 61 . n . 61 . ca . 61 . c parsed_2kqp 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68 -8 . . 61 . n . 61 . ca . 61 . c . 62 . n parsed_2kqp 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99 -39 . . 61 . c . 62 . n . 62 . ca . 62 . c parsed_2kqp 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83 17 . . 62 . n . 62 . ca . 62 . c . 63 . n parsed_2kqp 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105 -45 . . 62 . c . 63 . n . 63 . ca . 63 . c parsed_2kqp 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75 25 . . 63 . n . 63 . ca . 63 . c . 64 . n parsed_2kqp 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -109 -49 . . 67 . c . 68 . n . 68 . ca . 68 . c parsed_2kqp 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68 -8 . . 68 . n . 68 . ca . 68 . c . 69 . n parsed_2kqp 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145 -45 . . 68 . c . 69 . n . 69 . ca . 69 . c parsed_2kqp 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51 9 . . 69 . n . 69 . ca . 69 . c . 70 . n parsed_2kqp 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -141 -81 . . 69 . c . 70 . n . 70 . ca . 70 . c parsed_2kqp 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -16 24 . . 70 . n . 70 . ca . 70 . c . 71 . n parsed_2kqp 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -104 -44 . . 71 . c . 72 . n . 72 . ca . 72 . c parsed_2kqp 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94 46 . . 72 . n . 72 . ca . 72 . c . 73 . n parsed_2kqp 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -112 -52 . . 72 . c . 73 . n . 73 . ca . 73 . c parsed_2kqp 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42 18 . . 73 . n . 73 . ca . 73 . c . 74 . n parsed_2kqp 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -142 -82 . . 75 . c . 76 . n . 76 . ca . 76 . c parsed_2kqp 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121 181 . . 76 . n . 76 . ca . 76 . c . 77 . n parsed_2kqp 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -112 -52 . . 76 . c . 77 . n . 77 . ca . 77 . c parsed_2kqp 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107 207 . . 77 . n . 77 . ca . 77 . c . 78 . n parsed_2kqp 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -40 . . 77 . c . 78 . n . 78 . ca . 78 . c parsed_2kqp 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69 -9 . . 78 . n . 78 . ca . 78 . c . 79 . n parsed_2kqp 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98 -38 . . 78 . c . 79 . n . 79 . ca . 79 . c parsed_2kqp 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60 -20 . . 79 . n . 79 . ca . 79 . c . 80 . n parsed_2kqp 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87 -47 . . 79 . c . 80 . n . 80 . ca . 80 . c parsed_2kqp 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59 -19 . . 80 . n . 80 . ca . 80 . c . 81 . n parsed_2kqp 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87 -47 . . 80 . c . 81 . n . 81 . ca . 81 . c parsed_2kqp 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60 -20 . . 81 . n . 81 . ca . 81 . c . 82 . n parsed_2kqp 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84 -44 . . 81 . c . 82 . n . 82 . ca . 82 . c parsed_2kqp 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61 -21 . . 82 . n . 82 . ca . 82 . c . 83 . n parsed_2kqp 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86 -46 . . 82 . c . 83 . n . 83 . ca . 83 . c parsed_2kqp 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54 -14 . . 83 . n . 83 . ca . 83 . c . 84 . n parsed_2kqp 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -141 -41 . . 83 . c . 84 . n . 84 . ca . 84 . c parsed_2kqp 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49 11 . . 84 . n . 84 . ca . 84 . c . 85 . n parsed_2kqp 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -178 -78 . . 84 . c . 85 . n . 85 . ca . 85 . c parsed_2kqp 1
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 124 184 . . 85 . n . 85 . ca . 85 . c . 86 . n parsed_2kqp 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
;
@ END_XPLR_NOE_FILE
Talos output file pred_aa.tab converted to Xplor dihedral angle
restraints file on Wed Nov 5 12:25:49 EST 2008 .
For a given residue, first angle assigned is phi, second - psi.
Restraining range is taken to be 20 if a standard deviation
as reported by Talos is <10 or 2 * standard deviation rounded to
next higher multiple of 10 otherwise.
V2
;
1 1 10 5 parsed_2kqp 1
2 N3 15 1 15 5 parsed_2kqp 1
3 Q4 20 1 20 5 parsed_2kqp 1
4 H5 25 1 25 5 parsed_2kqp 1
5 L6 30 1 30 5 parsed_2kqp 1
6 C7 35 1 35 5 parsed_2kqp 1
7 G8 40 1 40 5 parsed_2kqp 1
8 S9 45 1 45 5 parsed_2kqp 1
9 D10 50 1 50 6 parsed_2kqp 1
10 L11 55 1 55 6 parsed_2kqp 1
11 V12 60 1 60 6 parsed_2kqp 1
12 E13 65 1 65 6 parsed_2kqp 1
13 A14 70 1 70 6 parsed_2kqp 1
14 L15 75 1 75 6 parsed_2kqp 1
15 Y16 80 1 80 6 parsed_2kqp 1
16 L17 85 1 85 6 parsed_2kqp 1
17 V18 90 1 90 6 parsed_2kqp 1
18 E21 95 1 95 6 parsed_2kqp 1
19 R22 100 1 100 6 parsed_2kqp 1
20 G23 105 1 105 6 parsed_2kqp 1
21 F24 110 1 110 6 parsed_2kqp 1
22 F25 115 1 115 6 parsed_2kqp 1
23 Y26 120 1 120 6 parsed_2kqp 1
24 T27 125 1 125 6 parsed_2kqp 1
25
;
K28
assign (resid 27 and name c ) (resid 28 and name n)
(resid 28 and name ca) (resid 28 and name c) 1.0 -83 50 2
assign (resid 28 and name n) (resid 28 and name ca)
(resid 28 and name c) (resid 29 and name n ) 1.0 135 50 2
P29
assign (resid 28 and name c ) (resid 29 and name n)
(resid 29 and name ca) (resid 29 and name c) 1.0 -61 20 2
assign (resid 29 and name n) (resid 29 and name ca)
(resid 29 and name c) (resid 30 and name n ) 1.0 150 30 2
T30
assign (resid 29 and name c ) (resid 30 and name n)
(resid 30 and name ca) (resid 30 and name c) 1.0 -139 30 2
assign (resid 30 and name n) (resid 30 and name ca)
(resid 30 and name c) (resid 31 and name n ) 1.0 142 50 2
E35
assign (resid 34 and name c ) (resid 35 and name n)
(resid 35 and name ca) (resid 35 and name c) 1.0 -76 30 2
assign (resid 35 and name n) (resid 35 and name ca)
(resid 35 and name c) (resid 36 and name n ) 1.0 -28 50 2
L37
assign (resid 36 and name c ) (resid 37 and name n)
(resid 37 and name ca) (resid 37 and name c) 1.0 -74 30 2
assign (resid 37 and name n) (resid 37 and name ca)
(resid 37 and name c) (resid 38 and name n ) 1.0 -29 50 2
Q41
assign (resid 40 and name c ) (resid 41 and name n)
(resid 41 and name ca) (resid 41 and name c) 1.0 -107 90 2
assign (resid 41 and name n) (resid 41 and name ca)
(resid 41 and name c) (resid 42 and name n ) 1.0 144 50 2
P48
assign (resid 47 and name c ) (resid 48 and name n)
(resid 48 and name ca) (resid 48 and name c) 1.0 -61 20 2
assign (resid 48 and name n) (resid 48 and name ca)
(resid 48 and name c) (resid 49 and name n ) 1.0 -26 20 2
A50
assign (resid 49 and name c ) (resid 50 and name n)
(resid 50 and name ca) (resid 50 and name c) 1.0 -74 30 2
assign (resid 50 and name n) (resid 50 and name ca)
(resid 50 and name c) (resid 51 and name n ) 1.0 -14 50 2
Q54
;
130 1 170 6 parsed_2kqp 1
26 P55 175 1 175 6 parsed_2kqp 1
27
;
assign (resid 55 and name n) (resid 55 and name ca)
(resid 55 and name c) (resid 56 and name n ) 1.0 150 30 2
L56
;
178 1 180 6 parsed_2kqp 1
28 A57 185 1 185 6 parsed_2kqp 1
29 L58 190 1 190 6 parsed_2kqp 1
30 E59 195 1 195 6 parsed_2kqp 1
31 G60 200 1 200 6 parsed_2kqp 1
32 S61 205 1 205 6 parsed_2kqp 1
33 L62 210 1 210 6 parsed_2kqp 1
34 Q63 215 1 215 6 parsed_2kqp 1
35
;
K64
assign (resid 63 and name c ) (resid 64 and name n)
(resid 64 and name ca) (resid 64 and name c) 1.0 -92 30 2
assign (resid 64 and name n) (resid 64 and name ca)
(resid 64 and name c) (resid 65 and name n ) 1.0 -9 50 2
G66
assign (resid 65 and name c ) (resid 66 and name n)
(resid 66 and name ca) (resid 66 and name c) 1.0 90 20 2
assign (resid 66 and name n) (resid 66 and name ca)
(resid 66 and name c) (resid 67 and name n ) 1.0 -2 30 2
V68
;
220 1 230 6 parsed_2kqp 1
36 E69 235 1 235 6 parsed_2kqp 1
37 Q70 240 1 240 6 parsed_2kqp 1
38 C72 245 1 245 6 parsed_2kqp 1
39 T73 250 1 250 6 parsed_2kqp 1
40 C76 255 1 255 6 parsed_2kqp 1
41 S77 260 1 260 6 parsed_2kqp 1
42 L78 265 1 265 6 parsed_2kqp 1
43 Y79 270 1 270 6 parsed_2kqp 1
44 Q80 275 1 275 6 parsed_2kqp 1
45 L81 280 1 280 6 parsed_2kqp 1
46 E82 285 1 285 6 parsed_2kqp 1
47 N83 290 1 290 6 parsed_2kqp 1
48 Y84 295 1 295 6 parsed_2kqp 1
49 C85 300 1 300 6 parsed_2kqp 1
stop_
save_
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