NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
48450 |
2j4n   |
7285 | cing | 2-parsed | STAR | dihedral angle | 145 |
data_2j4n_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2j4n
_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_2j4n 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2j4n
_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 2j4n "Master copy" parsed_2j4n
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2j4n
_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 2j4n.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2j4n 1
1 2j4n.mr . . XPLOR/CNS 2 distance NOE simple 1789 parsed_2j4n 1
1 2j4n.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 145 parsed_2j4n 1
1 2j4n.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 0 parsed_2j4n 1
1 2j4n.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2j4n 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2j4n
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 1 . C . 2 . N . 2 . CA . 2 . C parsed_2j4n 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -20.0 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_2j4n 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -20.0 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_2j4n 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_2j4n 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -10.0 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_2j4n 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -20.0 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_2j4n 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10.0 100.0 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_2j4n 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_2j4n 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_2j4n 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -20.0 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_2j4n 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -20.0 . . 21 . C . 22 . N . 22 . CA . 22 . C parsed_2j4n 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.0 -45.0 . . 23 . C . 24 . N . 24 . CA . 24 . C parsed_2j4n 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -20.0 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_2j4n 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -20.0 . . 26 . C . 27 . N . 27 . CA . 27 . C parsed_2j4n 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 27 . C . 28 . N . 28 . CA . 28 . C parsed_2j4n 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 30 . C . 31 . N . 31 . CA . 31 . C parsed_2j4n 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -20.0 . . 33 . C . 34 . N . 34 . CA . 34 . C parsed_2j4n 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10.0 100.0 . . 34 . C . 35 . N . 35 . CA . 35 . C parsed_2j4n 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 36 . C . 37 . N . 37 . CA . 37 . C parsed_2j4n 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 37 . C . 38 . N . 38 . CA . 38 . C parsed_2j4n 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -125.0 -55.0 . . 40 . C . 41 . N . 41 . CA . 41 . C parsed_2j4n 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -20.0 . . 41 . C . 42 . N . 42 . CA . 42 . C parsed_2j4n 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -20.0 . . 42 . C . 43 . N . 43 . CA . 43 . C parsed_2j4n 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 43 . C . 44 . N . 44 . CA . 44 . C parsed_2j4n 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -20.0 . . 48 . C . 49 . N . 49 . CA . 49 . C parsed_2j4n 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -20.0 . . 51 . C . 52 . N . 52 . CA . 52 . C parsed_2j4n 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 52 . C . 53 . N . 53 . CA . 53 . C parsed_2j4n 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -20.0 . . 54 . C . 55 . N . 55 . CA . 55 . C parsed_2j4n 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 56 . C . 57 . N . 57 . CA . 57 . C parsed_2j4n 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 58 . C . 59 . N . 59 . CA . 59 . C parsed_2j4n 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 59 . C . 60 . N . 60 . CA . 60 . C parsed_2j4n 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -10.0 120.0 . . 63 . C . 64 . N . 64 . CA . 64 . C parsed_2j4n 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 66 . C . 67 . N . 67 . CA . 67 . C parsed_2j4n 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 68 . C . 69 . N . 69 . CA . 69 . C parsed_2j4n 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 69 . C . 70 . N . 70 . CA . 70 . C parsed_2j4n 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 70 . C . 71 . N . 71 . CA . 71 . C parsed_2j4n 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -20.0 . . 71 . C . 72 . N . 72 . CA . 72 . C parsed_2j4n 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 75 . C . 76 . N . 76 . CA . 76 . C parsed_2j4n 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 78 . C . 79 . N . 79 . CA . 79 . C parsed_2j4n 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 79 . C . 80 . N . 80 . CA . 80 . C parsed_2j4n 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 82 . C . 83 . N . 83 . CA . 83 . C parsed_2j4n 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -20.0 . . 83 . C . 84 . N . 84 . CA . 84 . C parsed_2j4n 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -20.0 . . 88 . C . 89 . N . 89 . CA . 89 . C parsed_2j4n 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -20.0 . . 89 . C . 90 . N . 90 . CA . 90 . C parsed_2j4n 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -20.0 . . 90 . C . 91 . N . 91 . CA . 91 . C parsed_2j4n 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 92 . C . 93 . N . 93 . CA . 93 . C parsed_2j4n 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 93 . C . 94 . N . 94 . CA . 94 . C parsed_2j4n 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89 179 . . 2 . n . 2 . ca . 2 . c . 3 . n parsed_2j4n 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -157 -39 . . 2 . c . 3 . n . 3 . ca . 3 . c parsed_2j4n 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 32 230 . . 3 . n . 3 . ca . 3 . c . 4 . n parsed_2j4n 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 91 199 . . 4 . n . 4 . ca . 4 . c . 5 . n parsed_2j4n 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100 -40 . . 4 . c . 5 . n . 5 . ca . 5 . c parsed_2j4n 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69 9 . . 5 . n . 5 . ca . 5 . c . 6 . n parsed_2j4n 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72 -6 . . 6 . n . 6 . ca . 6 . c . 7 . n parsed_2j4n 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95 -41 . . 6 . c . 7 . n . 7 . ca . 7 . c parsed_2j4n 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63 -9 . . 7 . n . 7 . ca . 7 . c . 8 . n parsed_2j4n 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -42 . . 7 . c . 8 . n . 8 . ca . 8 . c parsed_2j4n 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49 5 . . 8 . n . 8 . ca . 8 . c . 9 . n parsed_2j4n 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -148 -52 . . 8 . c . 9 . n . 9 . ca . 9 . c parsed_2j4n 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35 49 . . 9 . n . 9 . ca . 9 . c . 10 . n parsed_2j4n 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172 -64 . . 10 . c . 11 . n . 11 . ca . 11 . c parsed_2j4n 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 122 194 . . 11 . n . 11 . ca . 11 . c . 12 . n parsed_2j4n 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 96 180 . . 12 . n . 12 . ca . 12 . c . 13 . n parsed_2j4n 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -193 -53 . . 12 . c . 13 . n . 13 . ca . 13 . c parsed_2j4n 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 88 198 . . 13 . n . 13 . ca . 13 . c . 14 . n parsed_2j4n 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -177 -87 . . 13 . c . 14 . n . 14 . ca . 14 . c parsed_2j4n 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 91 193 . . 14 . n . 14 . ca . 14 . c . 15 . n parsed_2j4n 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69 -45 . . 16 . c . 17 . n . 17 . ca . 17 . c parsed_2j4n 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73 5 . . 17 . n . 17 . ca . 17 . c . 18 . n parsed_2j4n 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78 24 . . 18 . n . 18 . ca . 18 . c . 19 . n parsed_2j4n 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -152 -14 . . 19 . c . 20 . n . 20 . ca . 20 . c parsed_2j4n 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 88 166 . . 20 . n . 20 . ca . 20 . c . 21 . n parsed_2j4n 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 78 180 . . 21 . n . 21 . ca . 21 . c . 22 . n parsed_2j4n 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 98 152 . . 22 . n . 22 . ca . 22 . c . 23 . n parsed_2j4n 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -136 -76 . . 22 . c . 23 . n . 23 . ca . 23 . c parsed_2j4n 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60 0 . . 23 . n . 23 . ca . 23 . c . 24 . n parsed_2j4n 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 101 185 . . 24 . n . 24 . ca . 24 . c . 25 . n parsed_2j4n 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -181 -61 . . 24 . c . 25 . n . 25 . ca . 25 . c parsed_2j4n 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 99 159 . . 25 . n . 25 . ca . 25 . c . 26 . n parsed_2j4n 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 81 249 . . 26 . n . 26 . ca . 26 . c . 27 . n parsed_2j4n 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98 58 . . 27 . n . 27 . ca . 27 . c . 28 . n parsed_2j4n 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76 38 . . 28 . n . 28 . ca . 28 . c . 29 . n parsed_2j4n 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -163 -73 . . 29 . c . 30 . n . 30 . ca . 30 . c parsed_2j4n 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 101 173 . . 30 . n . 30 . ca . 30 . c . 31 . n parsed_2j4n 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 101 179 . . 31 . n . 31 . ca . 31 . c . 32 . n parsed_2j4n 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -152 -68 . . 32 . c . 33 . n . 33 . ca . 33 . c parsed_2j4n 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 101 161 . . 33 . n . 33 . ca . 33 . c . 34 . n parsed_2j4n 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89 161 . . 34 . n . 34 . ca . 34 . c . 35 . n parsed_2j4n 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 18 66 . . 35 . n . 35 . ca . 35 . c . 36 . n parsed_2j4n 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 52 106 . . 35 . c . 36 . n . 36 . ca . 36 . c parsed_2j4n 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -43 47 . . 36 . n . 36 . ca . 36 . c . 37 . n parsed_2j4n 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 104 200 . . 37 . n . 37 . ca . 37 . c . 38 . n parsed_2j4n 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 87 183 . . 38 . n . 38 . ca . 38 . c . 39 . n parsed_2j4n 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175 -79 . . 38 . c . 39 . n . 39 . ca . 39 . c parsed_2j4n 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 128 194 . . 39 . n . 39 . ca . 39 . c . 40 . n parsed_2j4n 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -243 9 . . 39 . c . 40 . n . 40 . ca . 40 . c parsed_2j4n 1
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107 161 . . 40 . n . 40 . ca . 40 . c . 41 . n parsed_2j4n 1
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 97 157 . . 41 . n . 41 . ca . 41 . c . 42 . n parsed_2j4n 1
99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 65 215 . . 42 . n . 42 . ca . 42 . c . 43 . n parsed_2j4n 1
100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77 49 . . 44 . n . 44 . ca . 44 . c . 45 . n parsed_2j4n 1
101 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -119 -47 . . 46 . c . 47 . n . 47 . ca . 47 . c parsed_2j4n 1
102 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 92 184 . . 47 . n . 47 . ca . 47 . c . 48 . n parsed_2j4n 1
103 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -116 -56 . . 47 . c . 48 . n . 48 . ca . 48 . c parsed_2j4n 1
104 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 101 177 . . 48 . n . 48 . ca . 48 . c . 49 . n parsed_2j4n 1
105 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48 36 . . 49 . n . 49 . ca . 49 . c . 50 . n parsed_2j4n 1
106 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -162 -102 . . 53 . c . 54 . n . 54 . ca . 54 . c parsed_2j4n 1
107 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 195 . . 54 . n . 54 . ca . 54 . c . 55 . n parsed_2j4n 1
108 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 85 181 . . 55 . n . 55 . ca . 55 . c . 56 . n parsed_2j4n 1
109 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98 64 . . 57 . n . 57 . ca . 57 . c . 58 . n parsed_2j4n 1
110 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 94 214 . . 60 . n . 60 . ca . 60 . c . 61 . n parsed_2j4n 1
111 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -181 11 . . 60 . c . 61 . n . 61 . ca . 61 . c parsed_2j4n 1
112 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115 193 . . 61 . n . 61 . ca . 61 . c . 62 . n parsed_2j4n 1
113 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -171 -69 . . 61 . c . 62 . n . 62 . ca . 62 . c parsed_2j4n 1
114 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120 180 . . 62 . n . 62 . ca . 62 . c . 63 . n parsed_2j4n 1
115 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -191 -47 . . 62 . c . 63 . n . 63 . ca . 63 . c parsed_2j4n 1
116 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -177 -87 . . 65 . c . 66 . n . 66 . ca . 66 . c parsed_2j4n 1
117 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 92 152 . . 67 . n . 67 . ca . 67 . c . 68 . n parsed_2j4n 1
118 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109 157 . . 70 . n . 70 . ca . 70 . c . 71 . n parsed_2j4n 1
119 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 102 162 . . 71 . n . 71 . ca . 71 . c . 72 . n parsed_2j4n 1
120 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 73 193 . . 72 . n . 72 . ca . 72 . c . 73 . n parsed_2j4n 1
121 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -148 -40 . . 73 . c . 74 . n . 74 . ca . 74 . c parsed_2j4n 1
122 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65 43 . . 74 . n . 74 . ca . 74 . c . 75 . n parsed_2j4n 1
123 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 82 196 . . 76 . n . 76 . ca . 76 . c . 77 . n parsed_2j4n 1
124 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165 -87 . . 76 . c . 77 . n . 77 . ca . 77 . c parsed_2j4n 1
125 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110 176 . . 77 . n . 77 . ca . 77 . c . 78 . n parsed_2j4n 1
126 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -196 -82 . . 77 . c . 78 . n . 78 . ca . 78 . c parsed_2j4n 1
127 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110 170 . . 78 . n . 78 . ca . 78 . c . 79 . n parsed_2j4n 1
128 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107 155 . . 79 . n . 79 . ca . 79 . c . 80 . n parsed_2j4n 1
129 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 83 203 . . 80 . n . 80 . ca . 80 . c . 81 . n parsed_2j4n 1
130 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 54 108 . . 81 . c . 82 . n . 82 . ca . 82 . c parsed_2j4n 1
131 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -44 46 . . 82 . n . 82 . ca . 82 . c . 83 . n parsed_2j4n 1
132 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120 174 . . 83 . n . 83 . ca . 83 . c . 84 . n parsed_2j4n 1
133 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 83 185 . . 84 . n . 84 . ca . 84 . c . 85 . n parsed_2j4n 1
134 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172 -94 . . 84 . c . 85 . n . 85 . ca . 85 . c parsed_2j4n 1
135 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 124 196 . . 85 . n . 85 . ca . 85 . c . 86 . n parsed_2j4n 1
136 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -219 -39 . . 85 . c . 86 . n . 86 . ca . 86 . c parsed_2j4n 1
137 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 81 165 . . 86 . n . 86 . ca . 86 . c . 87 . n parsed_2j4n 1
138 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140 -50 . . 86 . c . 87 . n . 87 . ca . 87 . c parsed_2j4n 1
139 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 71 149 . . 87 . n . 87 . ca . 87 . c . 88 . n parsed_2j4n 1
140 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61 -13 . . 89 . n . 89 . ca . 89 . c . 90 . n parsed_2j4n 1
141 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69 51 . . 90 . n . 90 . ca . 90 . c . 91 . n parsed_2j4n 1
142 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -157 -19 . . 97 . c . 98 . n . 98 . ca . 98 . c parsed_2j4n 1
143 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 104 164 . . 98 . n . 98 . ca . 98 . c . 99 . n parsed_2j4n 1
144 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -197 -17 . . 98 . c . 99 . n . 99 . ca . 99 . c parsed_2j4n 1
145 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 69 171 . . 99 . n . 99 . ca . 99 . c . 100 . n parsed_2j4n 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
;
Dihedral restraints (TALOS and HNHA)
Most HNHA restraints reverted back to original apart from +ve phis 28feb05
;
1 1 2 76 parsed_2j4n 1
2 "The following was changed to +ve phi 04jan05" 15 1 15 46 parsed_2j4n 1
3 "Following phi changed from -55 to -90 and error increased 35 to 70 on 03mar05" 26 1 26 79 parsed_2j4n 1
4 "Following phi changed from -55 to -90 and error increased 35 to 70 on 04jan05" 29 1 29 79 parsed_2j4n 1
5 "Following phi changed from -55 to -90 and error increased 35 to 70 on 04jan05" 38 1 38 79 parsed_2j4n 1
6 "The following was changed to +ve phi 04jan05" 41 1 41 46 parsed_2j4n 1
7 "Following phi changed from -55 to -90 on 28feb05" 48 1 48 50 parsed_2j4n 1
8 "Following phi changed from -55 to -90 and error increased 35 to 70 on 04jan05" 51 1 51 79 parsed_2j4n 1
9 "The following was changed to +ve phi 04jan05" 72 1 72 46 parsed_2j4n 1
10 "Error increased from 50 to 60 on 02mar05" 75 1 75 42 parsed_2j4n 1
11 "Following phi changed from -55 to -90 and error increased 35 to 70 on 19jan05" 84 1 84 79 parsed_2j4n 1
12 "Following phi changed from -55 to -90 and error increased 35 to 70 on 06jan05" 95 1 95 79 parsed_2j4n 1
13 "Errors increased 03mar05" 108 1 108 26 parsed_2j4n 1
14 "2 134 30" 110 64 110 74 parsed_2j4n 1
15 "3 -98 39" 112 65 112 75 parsed_2j4n 1
16
;
3 131 66
End of increased errors 03mar05
;
114 64 115 33 parsed_2j4n 1
17 "4 145 54" 117 64 117 74 parsed_2j4n 1
18 "5 -70 30" 119 65 119 75 parsed_2j4n 1
19 "5 -30 39" 121 64 121 74 parsed_2j4n 1
20 "6 -39 33" 123 64 123 74 parsed_2j4n 1
21 "7 -68 27" 125 65 125 75 parsed_2j4n 1
22 "7 -36 27" 127 64 127 74 parsed_2j4n 1
23 "8 -66 24" 129 65 129 75 parsed_2j4n 1
24 "8 -22 27" 131 64 131 74 parsed_2j4n 1
25 "9 -100 48" 133 66 133 77 parsed_2j4n 1
26 "9 7 42" 135 63 135 71 parsed_2j4n 1
27 "11 -118 54" 137 68 137 80 parsed_2j4n 1
28 "11 158 36" 139 66 139 77 parsed_2j4n 1
29
;
12 138 42
Error increased from 66 to 70 on 02mar05
;
141 66 142 42 parsed_2j4n 1
30 "Error increased from 48 to 55 on 02mar05" 146 1 146 42 parsed_2j4n 1
31 "13 -123 66" 144 68 144 80 parsed_2j4n 1
32 "13 143 48" 147 66 147 77 parsed_2j4n 1
33 "14 -132 45" 149 68 149 80 parsed_2j4n 1
34 "14 142 51" 151 66 151 77 parsed_2j4n 1
35 "17 -57 12" 153 67 153 78 parsed_2j4n 1
36 "17 -34 39" 155 66 155 77 parsed_2j4n 1
37 "18 -27 51" 157 66 157 77 parsed_2j4n 1
38 "20 -83 69" 159 67 159 78 parsed_2j4n 1
39 "20 127 39" 161 66 161 77 parsed_2j4n 1
40 "21 129 51" 163 66 163 77 parsed_2j4n 1
41 "22 125 27" 165 66 165 77 parsed_2j4n 1
42 "23 -106 30" 167 68 167 80 parsed_2j4n 1
43 "23 -30 30" 169 66 169 77 parsed_2j4n 1
44
;
24 143 42
Error decreased form 69 to 60 in following
;
171 66 172 44 parsed_2j4n 1
45 "25 -121 69" 174 68 174 80 parsed_2j4n 1
46 "25 129 30" 176 66 176 77 parsed_2j4n 1
47 "26 165 84" 178 66 178 77 parsed_2j4n 1
48 "27 -20 78" 180 66 180 77 parsed_2j4n 1
49 "28 -19 57" 182 66 182 77 parsed_2j4n 1
50 "30 -118 45" 184 68 184 80 parsed_2j4n 1
51 "30 137 36" 186 66 186 77 parsed_2j4n 1
52 "31 140 39" 188 66 188 77 parsed_2j4n 1
53 "33 -110 42" 190 68 190 80 parsed_2j4n 1
54 "33 131 30" 192 66 192 77 parsed_2j4n 1
55 "34 125 36" 194 66 194 77 parsed_2j4n 1
56 "35 42 24" 196 65 196 75 parsed_2j4n 1
57 "36 79 27" 198 66 198 76 parsed_2j4n 1
58 "36 2 45" 200 64 200 73 parsed_2j4n 1
59 "37 152 48" 202 66 202 77 parsed_2j4n 1
60 "38 135 48" 204 66 204 77 parsed_2j4n 1
61 "39 -127 48" 206 68 206 80 parsed_2j4n 1
62 "39 161 33" 208 66 208 77 parsed_2j4n 1
63 "40 -117 126" 210 69 210 82 parsed_2j4n 1
64 "40 134 27" 212 66 212 77 parsed_2j4n 1
65 "41 127 30" 214 66 214 77 parsed_2j4n 1
66
;
42 140 75
residues 44 to 49 added 02mar05 from rejected TALOS
;
216 66 217 53 parsed_2j4n 1
67 "44 -14 42" 219 66 219 77 parsed_2j4n 1
68 "47 -83 36" 221 67 221 78 parsed_2j4n 1
69 "47 138 46" 223 66 223 77 parsed_2j4n 1
70 "48 -86 30" 225 67 225 78 parsed_2j4n 1
71 "48 139 38" 227 66 227 77 parsed_2j4n 1
72 "49 -6 42" 229 65 229 75 parsed_2j4n 1
73 "54 -132 30" 231 68 231 80 parsed_2j4n 1
74 "54 150 45" 233 66 233 77 parsed_2j4n 1
75 "55 133 48" 235 66 235 77 parsed_2j4n 1
76 "57 -17 81" 237 66 237 77 parsed_2j4n 1
77 "60 154 60" 239 66 239 77 parsed_2j4n 1
78 "61 -85 96" 241 67 241 78 parsed_2j4n 1
79 "61 154 39" 243 66 243 77 parsed_2j4n 1
80 "62 -120 51" 245 68 245 80 parsed_2j4n 1
81 "62 150 30" 247 66 247 77 parsed_2j4n 1
82
;
63 -119 72
Removed 02mar04 violating
assign (resid 63 and name n ) (resid 63 and name ca )
(resid 63 and name c ) (resid 64 and name n ) 1.0 144 54 2 ! 63 144 54
;
249 68 252 78 parsed_2j4n 1
83
;
66 -132 45
Removed 02mar04 violating
assign (resid 66 and name n ) (resid 66 and name ca )
(resid 66 and name c ) (resid 67 and name n ) 1.0 158 42 2 ! 66 158 42
;
254 68 257 78 parsed_2j4n 1
84 "67 122 30" 259 66 259 77 parsed_2j4n 1
85 "70 133 24" 261 66 261 77 parsed_2j4n 1
86
;
71 132 30
Error decrease from 69 to 60 on 02mar05
;
263 66 264 41 parsed_2j4n 1
87 "72 133 69" 266 66 266 77 parsed_2j4n 1
88 "74 -94 54" 268 67 268 78 parsed_2j4n 1
89 "74 -11 54" 270 66 270 77 parsed_2j4n 1
90 "76 139 57" 272 66 272 77 parsed_2j4n 1
91 "77 -126 39" 274 68 274 80 parsed_2j4n 1
92 "77 143 33" 276 66 276 77 parsed_2j4n 1
93 "78 -139 57" 278 68 278 80 parsed_2j4n 1
94 "78 140 30" 280 66 280 77 parsed_2j4n 1
95 "79 131 24" 282 66 282 77 parsed_2j4n 1
96 "80 143 60" 284 66 284 77 parsed_2j4n 1
97 "82 81 27" 286 66 286 76 parsed_2j4n 1
98 "82 1 45" 288 64 288 73 parsed_2j4n 1
99
;
83 147 27
Error decreased from 51 to 40 on 02mar05
;
290 66 291 42 parsed_2j4n 1
100 "84 134 51" 293 66 293 77 parsed_2j4n 1
101 "85 -133 39" 295 68 295 80 parsed_2j4n 1
102 "85 160 36" 297 66 297 77 parsed_2j4n 1
103 "86 -129 90" 299 68 299 80 parsed_2j4n 1
104
;
86 123 42
Error incresed 30 to 45 03mar05
;
301 66 302 33 parsed_2j4n 1
105 "87 -95 30" 304 67 304 78 parsed_2j4n 1
106 "87 110 39" 306 66 306 77 parsed_2j4n 1
107 "89 -37 24" 308 66 308 77 parsed_2j4n 1
108 "90 -9 60" 310 65 310 75 parsed_2j4n 1
109 "98 -88 69" 312 67 312 78 parsed_2j4n 1
110 "98 134 30" 314 66 314 77 parsed_2j4n 1
111 "99 -107 90" 316 68 316 80 parsed_2j4n 1
112 "99 120 51" 318 67 318 78 parsed_2j4n 1
stop_
save_
Contact the webmaster for help, if required. Saturday, June 1, 2024 3:20:12 AM GMT (wattos1)