NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
34634 |
1k45   |
5181 | cing | 2-parsed | STAR | dihedral angle | 93 |
data_1k45_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1k45
_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_1k45 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1k45
_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 1k45 "Master copy" parsed_1k45
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1k45
_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 1k45.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1k45 1
1 1k45.mr . . XPLOR/CNS 2 distance NOE simple 1654 parsed_1k45 1
1 1k45.mr . . XPLOR/CNS 3 distance NOE ambi 16 parsed_1k45 1
1 1k45.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 130 parsed_1k45 1
1 1k45.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 93 parsed_1k45 1
1 1k45.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1k45 1
1 1k45.mr . . XPLOR/CNS 7 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1k45 1
1 1k45.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1k45 1
stop_
save_
save_CNS/XPLOR_dihedral_5
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1k45
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 5
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -20.0 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_1k45 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_1k45 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_1k45 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -20.0 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_1k45 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_1k45 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_1k45 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -20.0 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_1k45 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -20.0 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_1k45 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -20.0 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_1k45 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_1k45 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_1k45 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -20.0 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_1k45 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 21 . C . 22 . N . 22 . CA . 22 . C parsed_1k45 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_1k45 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_1k45 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 27 . C . 28 . N . 28 . CA . 28 . C parsed_1k45 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 28 . C . 29 . N . 29 . CA . 29 . C parsed_1k45 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 30 . C . 31 . N . 31 . CA . 31 . C parsed_1k45 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 31 . C . 32 . N . 32 . CA . 32 . C parsed_1k45 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 36 . C . 37 . N . 37 . CA . 37 . C parsed_1k45 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 37 . C . 38 . N . 38 . CA . 38 . C parsed_1k45 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 40 . C . 41 . N . 41 . CA . 41 . C parsed_1k45 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 41 . C . 42 . N . 42 . CA . 42 . C parsed_1k45 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 42 . C . 43 . N . 43 . CA . 43 . C parsed_1k45 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 43 . C . 44 . N . 44 . CA . 44 . C parsed_1k45 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 44 . C . 45 . N . 45 . CA . 45 . C parsed_1k45 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 46 . C . 47 . N . 47 . CA . 47 . C parsed_1k45 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -20.0 . . 49 . C . 50 . N . 50 . CA . 50 . C parsed_1k45 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 51 . C . 52 . N . 52 . CA . 52 . C parsed_1k45 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 53 . C . 54 . N . 54 . CA . 54 . C parsed_1k45 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 54 . C . 55 . N . 55 . CA . 55 . C parsed_1k45 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 55 . C . 56 . N . 56 . CA . 56 . C parsed_1k45 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 56 . C . 57 . N . 57 . CA . 57 . C parsed_1k45 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 57 . C . 58 . N . 58 . CA . 58 . C parsed_1k45 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 58 . C . 59 . N . 59 . CA . 59 . C parsed_1k45 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 59 . C . 60 . N . 60 . CA . 60 . C parsed_1k45 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 61 . C . 62 . N . 62 . CA . 62 . C parsed_1k45 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 63 . C . 64 . N . 64 . CA . 64 . C parsed_1k45 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 70 . C . 71 . N . 71 . CA . 71 . C parsed_1k45 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 71 . C . 72 . N . 72 . CA . 72 . C parsed_1k45 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 73 . C . 74 . N . 74 . CA . 74 . C parsed_1k45 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 77 . C . 78 . N . 78 . CA . 78 . C parsed_1k45 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 78 . C . 79 . N . 79 . CA . 79 . C parsed_1k45 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 80 . C . 81 . N . 81 . CA . 81 . C parsed_1k45 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 83 . C . 84 . N . 84 . CA . 84 . C parsed_1k45 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 85 . C . 86 . N . 86 . CA . 86 . C parsed_1k45 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 86 . C . 87 . N . 87 . CA . 87 . C parsed_1k45 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 89 . C . 90 . N . 90 . CA . 90 . C parsed_1k45 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 90 . C . 91 . N . 91 . CA . 91 . C parsed_1k45 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 91 . C . 92 . N . 92 . CA . 92 . C parsed_1k45 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 93 . C . 94 . N . 94 . CA . 94 . C parsed_1k45 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -20.0 . . 94 . C . 95 . N . 95 . CA . 95 . C parsed_1k45 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 95 . C . 96 . N . 96 . CA . 96 . C parsed_1k45 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -20.0 . . 96 . C . 97 . N . 97 . CA . 97 . C parsed_1k45 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 101 . C . 102 . N . 102 . CA . 102 . C parsed_1k45 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 103 . C . 104 . N . 104 . CA . 104 . C parsed_1k45 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 106 . C . 107 . N . 107 . CA . 107 . C parsed_1k45 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 108 . C . 109 . N . 109 . CA . 109 . C parsed_1k45 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 110 . C . 111 . N . 111 . CA . 111 . C parsed_1k45 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 112 . C . 113 . N . 113 . CA . 113 . C parsed_1k45 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 120 . C . 121 . N . 121 . CA . 121 . C parsed_1k45 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 121 . C . 122 . N . 122 . CA . 122 . C parsed_1k45 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 127 . C . 128 . N . 128 . CA . 128 . C parsed_1k45 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 128 . C . 129 . N . 129 . CA . 129 . C parsed_1k45 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 130 . C . 131 . N . 131 . CA . 131 . C parsed_1k45 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 132 . C . 133 . N . 133 . CA . 133 . C parsed_1k45 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 135 . C . 136 . N . 136 . CA . 136 . C parsed_1k45 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 137 . C . 138 . N . 138 . CA . 138 . C parsed_1k45 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 138 . C . 139 . N . 139 . CA . 139 . C parsed_1k45 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 139 . C . 140 . N . 140 . CA . 140 . C parsed_1k45 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 140 . C . 141 . N . 141 . CA . 141 . C parsed_1k45 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 142 . C . 143 . N . 143 . CA . 143 . C parsed_1k45 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 145 . C . 146 . N . 146 . CA . 146 . C parsed_1k45 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 146 . C . 147 . N . 147 . CA . 147 . C parsed_1k45 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 148 . C . 149 . N . 149 . CA . 149 . C parsed_1k45 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -20.0 . . 152 . C . 153 . N . 153 . CA . 153 . C parsed_1k45 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 154 . C . 155 . N . 155 . CA . 155 . C parsed_1k45 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 156 . C . 157 . N . 157 . CA . 157 . C parsed_1k45 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 157 . C . 158 . N . 158 . CA . 158 . C parsed_1k45 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 158 . C . 159 . N . 159 . CA . 159 . C parsed_1k45 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -20.0 . . 161 . C . 162 . N . 162 . CA . 162 . C parsed_1k45 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 162 . C . 163 . N . 163 . CA . 163 . C parsed_1k45 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 163 . C . 164 . N . 164 . CA . 164 . C parsed_1k45 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 0.0 . . 1 . C . 2 . N . 2 . CA . 2 . C parsed_1k45 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 0.0 . . 33 . C . 34 . N . 34 . CA . 34 . C parsed_1k45 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 0.0 . . 47 . C . 48 . N . 48 . CA . 48 . C parsed_1k45 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 0.0 . . 48 . C . 49 . N . 49 . CA . 49 . C parsed_1k45 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -220.0 -40.0 . . 68 . C . 69 . N . 69 . CA . 69 . C parsed_1k45 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.0 -49.0 . . 107 . C . 108 . N . 108 . CA . 108 . C parsed_1k45 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 0.0 . . 66 . C . 67 . N . 67 . CA . 67 . C parsed_1k45 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.0 -48.0 . . 65 . C . 66 . N . 66 . CA . 66 . C parsed_1k45 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -144.0 -68.0 . . 46 . C . 47 . N . 47 . CA . 47 . C parsed_1k45 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -123.0 -47.0 . . 47 . C . 48 . N . 48 . CA . 48 . C parsed_1k45 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
;
cbm_dihedrals.tbl
########## phi restraints from HNHA
RESIDUE A 4 , J= 4.77374
;
1 1 4 2 parsed_1k45 1
2 "RESIDUE N 5 , J= 8.69239" 7 1 9 2 parsed_1k45 1
3 "RESIDUE I 6 , J= 13.596" 12 1 14 2 parsed_1k45 1
4
;
RESIDUE N 7 , J= 6.11963
residue 7 not included (averaging?)
RESIDUE F 10 , J= 5.66175
residue 10 not included (averaging?)
RESIDUE E 11 , J= 2.86137
;
17 1 27 2 parsed_1k45 1
5 "RESIDUE S 12 , J= 8.15305" 30 1 32 2 parsed_1k45 1
6 "RESIDUE T 13 , J= 7.74555" 35 1 37 2 parsed_1k45 1
7 "RESIDUE A 15 , J= 4.72889" 40 1 42 2 parsed_1k45 1
8 "RESIDUE V 17 , J= 4.46059" 45 1 47 2 parsed_1k45 1
9 "RESIDUE V 18 , J= 3.19734" 50 1 52 2 parsed_1k45 1
10 "RESIDUE T 19 , J= 11.0969" 55 1 57 2 parsed_1k45 1
11 "RESIDUE D 20 , J= 8.21905" 60 1 62 2 parsed_1k45 1
12 "RESIDUE L 21 , J= 3.08751" 65 1 67 2 parsed_1k45 1
13 "RESIDUE A 22 , J= 7.71926" 70 1 72 2 parsed_1k45 1
14 "RESIDUE E 23 , J= 8.75936" 75 1 77 2 parsed_1k45 1
15 "RESIDUE V 25 , J= 9.71751" 80 1 82 2 parsed_1k45 1
16 "RESIDUE W 28 , J= 8.31734" 85 1 87 2 parsed_1k45 1
17 "RESIDUE D 29 , J= 8.61496" 90 1 92 2 parsed_1k45 1
18 "RESIDUE N 31 , J= 9.37264" 95 1 97 2 parsed_1k45 1
19 "RESIDUE V 32 , J= 9.14176" 100 1 102 2 parsed_1k45 1
20
;
RESIDUE S 35 , J= 5.89843
residue 35 not included (averaging?)
RESIDUE V 36 , J= 6.8514
residue 36 not included (averaging?)
RESIDUE T 37 , J= 7.58164
;
105 1 115 2 parsed_1k45 1
21 "RESIDUE N 38 , J= 9.78903" 118 1 120 2 parsed_1k45 1
22 "RESIDUE V 41 , J= 9.7186" 123 1 125 2 parsed_1k45 1
23 "RESIDUE F 42 , J= 8.5414" 128 1 130 2 parsed_1k45 1
24 "RESIDUE E 43 , J= 7.68186" 133 1 135 2 parsed_1k45 1
25 "RESIDUE V 44 , J= 9.10521" 138 1 140 2 parsed_1k45 1
26 "RESIDUE L 45 , J= 8.69281" 143 1 145 2 parsed_1k45 1
27
;
RESIDUE E 46 , J= 7.22345
residue 46 not included (averaging?)
RESIDUE T 47 , J= 8.71179
;
148 1 154 2 parsed_1k45 1
28 "RESIDUE A 50 , J= 3.05032" 157 1 159 2 parsed_1k45 1
29 "RESIDUE E 52 , J= 10.6875" 162 1 164 2 parsed_1k45 1
30 "RESIDUE N 54 , J= 9.94407" 167 1 169 2 parsed_1k45 1
31 "RESIDUE K 55 , J= 9.29019" 172 1 174 2 parsed_1k45 1
32 "RESIDUE V 56 , J= 8.93159" 177 1 179 2 parsed_1k45 1
33 "RESIDUE L 57 , J= 9.6746" 182 1 184 2 parsed_1k45 1
34 "RESIDUE A 58 , J= 8.35474" 187 1 189 2 parsed_1k45 1
35 "RESIDUE V 59 , J= 8.19603" 192 1 194 2 parsed_1k45 1
36 "RESIDUE T 60 , J= 9.43191" 197 1 199 2 parsed_1k45 1
37
;
RESIDUE V 61 , J= 8.37892
MANUALLY REMOVED AS DISAGREES WITH TALOS AND IS PARTIALLY OVERLAPPED
IN HNHA
assign (resid 60 and name C) (resid 61 and name N)
(resid 61 and name CA) (resid 61 and name C) 1.0 -120.0 50.0 2
RESIDUE N 62 , J= 10.5262
;
202 1 211 2 parsed_1k45 1
38 "RESIDUE V 64 , J= 9.78544" 214 1 216 2 parsed_1k45 1
39
;
RESIDUE W 69 , J= 7.40301
residue 69 not included (averaging?)
RESIDUE D 70 , J= 6.29104
residue 70 not included (averaging?)
RESIDUE I 71 , J= 7.79716
;
219 1 229 2 parsed_1k45 1
40 "RESIDUE E 72 , J= 8.53419" 232 1 234 2 parsed_1k45 1
41 "RESIDUE T 74 , J= 9.24959" 237 1 239 2 parsed_1k45 1
42
;
RESIDUE F 76 , J= 7.33955
residue 76 not included (averaging?)
RESIDUE V 78 , J= 9.41047
;
242 1 248 2 parsed_1k45 1
43 "RESIDUE N 79 , J= 8.77941" 251 1 253 2 parsed_1k45 1
44 "RESIDUE R 81 , J= 7.98821" 256 1 258 2 parsed_1k45 1
45 "RESIDUE V 84 , J= 7.98923" 261 1 263 2 parsed_1k45 1
46 "RESIDUE Y 86 , J= 10.8553" 266 1 268 2 parsed_1k45 1
47 "RESIDUE T 87 , J= 9.80988" 271 1 273 2 parsed_1k45 1
48 "RESIDUE I 90 , J= 8.15939" 276 1 278 2 parsed_1k45 1
49 "RESIDUE W 91 , J= 15.2351" 281 1 283 2 parsed_1k45 1
50 "RESIDUE A 92 , J= 8.2519" 286 1 288 2 parsed_1k45 1
51 "RESIDUE A 94 , J= 9.28423" 291 1 293 2 parsed_1k45 1
52 "RESIDUE E 95 , J= 4.62251" 296 1 298 2 parsed_1k45 1
53 "RESIDUE Q 96 , J= 10.3868" 301 1 303 2 parsed_1k45 1
54 "RESIDUE D 97 , J= 2.49923" 306 1 308 2 parsed_1k45 1
55
;
RESIDUE A 99 , J= 7.13367
residue 99 not included (averaging?)
RESIDUE V 100 , J= 6.91924
residue 100 not included (averaging?)
RESIDUE V 101 , J= 7.1926
residue 101 not included (averaging?)
RESIDUE S 102 , J= 10.3989
;
311 1 325 2 parsed_1k45 1
56 "RESIDUE T 104 , J= 11.772" 328 1 330 2 parsed_1k45 1
57
;
RESIDUE V 105 , J= 6.55207
residue 105 not included (averaging?)
RESIDUE N 107 , J= 8.7032
;
333 1 339 2 parsed_1k45 1
58 "RESIDUE S 109 , J= 9.90271" 342 1 344 2 parsed_1k45 1
59 "RESIDUE Q 111 , J= 8.7032" 347 1 349 2 parsed_1k45 1
60
;
RESIDUE E 112 , J= 6.96587
residue 112 not included (averaging?)
RESIDUE Y 113 , J= 8.47733
;
352 1 358 2 parsed_1k45 1
61
;
RESIDUE R 115 , J= 5.83587
residue 115 not included (averaging?)
RESIDUE I 121 , J= 10.4359
;
361 1 367 2 parsed_1k45 1
62 "RESIDUE T 122 , J= 8.31608" 370 1 372 2 parsed_1k45 1
63
;
RESIDUE T 123 , J= 5.8843
residue 123 not included (averaging?)
RESIDUE F 128 , J= 8.86439
;
375 1 381 2 parsed_1k45 1
64 "RESIDUE T 129 , J= 9.08698" 384 1 386 2 parsed_1k45 1
65
;
RESIDUE F 130 , J= 5.48083
MANUALLY REMOVED (AND TALOS RESTAINTS) AS HNHA AND TALOS DISAGREE COMPLETELY
BUT CAN'T SAY WHICH IS WRONG FOR DEFINITE!
assign (resid 129 and name C) (resid 130 and name N)
(resid 130 and name CA) (resid 130 and name C) 1.0 -55.0 35.0 2
RESIDUE E 131 , J= 9.79397
;
389 1 397 2 parsed_1k45 1
66 "RESIDUE T 133 , J= 9.79608" 400 1 402 2 parsed_1k45 1
67
;
RESIDUE V 134 , J= 8.21178
MANUALLY DELETED NEXT RESTRAINT AS DISAGREES WITH TALOS AND IS PARTIALLY
OVERLAPPED IN HNHA
assign (resid 133 and name C) (resid 134 and name N)
(resid 134 and name CA) (resid 134 and name C) 1.0 -120.0 50.0 2
RESIDUE S 135 , J= 6.83797
residue 135 not included (averaging?)
RESIDUE D 136 , J= 8.29728
;
405 1 417 2 parsed_1k45 1
68 "RESIDUE E 138 , J= 7.60071" 420 1 422 2 parsed_1k45 1
69 "RESIDUE T 139 , J= 9.3983" 425 1 427 2 parsed_1k45 1
70 "RESIDUE V 140 , J= 7.63334" 430 1 432 2 parsed_1k45 1
71 "RESIDUE I 141 , J= 9.20406" 435 1 437 2 parsed_1k45 1
72 "RESIDUE A 143 , J= 9.31394" 440 1 442 2 parsed_1k45 1
73
;
RESIDUE I 145 , J= 7.18197
residue 145 not included (averaging?)
RESIDUE H 146 , J= 10.402
;
445 1 451 2 parsed_1k45 1
74 "RESIDUE F 147 , J= 8.26953" 454 1 456 2 parsed_1k45 1
75 "RESIDUE Y 149 , J= 7.78104" 459 1 461 2 parsed_1k45 1
76
;
RESIDUE N 152 , J= 7.2217
residue 152 not included (averaging?)
RESIDUE V 153 , J= 5.24667
;
464 1 470 2 parsed_1k45 1
77 "RESIDUE N 155 , J= 10.9501" 473 1 475 2 parsed_1k45 1
78 "RESIDUE I 157 , J= 11.9348" 478 1 480 2 parsed_1k45 1
79 "RESIDUE Y 158 , J= 8.84435" 483 1 485 2 parsed_1k45 1
80 "RESIDUE I 159 , J= 8.41132" 488 1 490 2 parsed_1k45 1
81
;
RESIDUE D 160 , J= 6.39146
residue 160 not included (averaging?)
RESIDUE L 162 , J= 4.84008
;
493 1 499 2 parsed_1k45 1
82 "RESIDUE A 163 , J= 8.55758" 502 1 504 2 parsed_1k45 1
83 "RESIDUE I 164 , J= 7.86643" 507 1 509 2 parsed_1k45 1
84
;
RESIDUE A 165 , J= 7.39013
residue 165 not included (averaging?)
RESIDUE L 170 , J= 7.02389
residue 170 not included (averaging?)
RESIDUE A 171 , J= 6.54863
residue 171 not included (averaging?)
RESIDUE E 173 , J= 7.27931
residue 173 not included (averaging?)
RESIDUE E 176 , J= 7.4266
residue 176 not included (averaging?)
RESIDUE D 177 , J= 7.43341
residue 177 not included (averaging?)
RESIDUE V 178 , J= 6.69644
residue 178 not included (averaging?)
RESIDUE E 179 , J= 6.5474
residue 179 not included (averaging?)
the following dihedral restraints were added (08/05/01) following the anaylsis of the 02/05/01 structure with procheck
;
512 1 545 120 parsed_1k45 1
85
;
the following dihedral restraints were added (18/05/01) following the anaylsis of the 14/05/01 structure
with procheck
;
556 1 557 17 parsed_1k45 1
86
;
the following dihedral restraints were added (01/06/01) following the anaylsis
of the 31/05/01 structure with procheck and a comparison with talos
;
564 1 565 70 parsed_1k45 1
stop_
save_
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