NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | in_dress | stage | program | type | item_count |
|
|
31601 |
1eo1   |
cing | recoord | dress | 2-parsed | STAR | dihedral angle | 66 |
data_1eo1_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1eo1
_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_1eo1 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1eo1
_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 1eo1 "Master copy" parsed_1eo1
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1eo1
_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 1eo1.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1eo1 1
1 1eo1.mr . . XPLOR/CNS 2 distance "hydrogen bond" simple 58 parsed_1eo1 1
1 1eo1.mr . . XPLOR/CNS 3 distance NOE simple 410 parsed_1eo1 1
1 1eo1.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 66 parsed_1eo1 1
1 1eo1.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 parsed_1eo1 1
1 1eo1.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1eo1 1
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1eo1
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -37.0 . . 54 . C . 55 . N . 55 . CA . 55 . C parsed_1eo1 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -37.0 . . 55 . C . 56 . N . 56 . CA . 56 . C parsed_1eo1 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -37.0 . . 56 . C . 57 . N . 57 . CA . 57 . C parsed_1eo1 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -37.0 . . 57 . C . 58 . N . 58 . CA . 58 . C parsed_1eo1 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -37.0 . . 58 . C . 59 . N . 59 . CA . 59 . C parsed_1eo1 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -37.0 . . 59 . C . 60 . N . 60 . CA . 60 . C parsed_1eo1 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -37.0 . . 60 . C . 61 . N . 61 . CA . 61 . C parsed_1eo1 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -37.0 . . 61 . C . 62 . N . 62 . CA . 62 . C parsed_1eo1 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -37.0 . . 62 . C . 63 . N . 63 . CA . 63 . C parsed_1eo1 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -37.0 . . 76 . C . 77 . N . 77 . CA . 77 . C parsed_1eo1 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -37.0 . . 77 . C . 78 . N . 78 . CA . 78 . C parsed_1eo1 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -37.0 . . 78 . C . 79 . N . 79 . CA . 79 . C parsed_1eo1 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -37.0 . . 79 . C . 80 . N . 80 . CA . 80 . C parsed_1eo1 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -37.0 . . 80 . C . 81 . N . 81 . CA . 81 . C parsed_1eo1 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -37.0 . . 81 . C . 82 . N . 82 . CA . 82 . C parsed_1eo1 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -37.0 . . 82 . C . 83 . N . 83 . CA . 83 . C parsed_1eo1 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -37.0 . . 83 . C . 84 . N . 84 . CA . 84 . C parsed_1eo1 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -37.0 . . 96 . C . 97 . N . 97 . CA . 97 . C parsed_1eo1 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -37.0 . . 97 . C . 98 . N . 98 . CA . 98 . C parsed_1eo1 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -37.0 . . 98 . C . 99 . N . 99 . CA . 99 . C parsed_1eo1 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -37.0 . . 99 . C . 100 . N . 100 . CA . 100 . C parsed_1eo1 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -37.0 . . 100 . C . 101 . N . 101 . CA . 101 . C parsed_1eo1 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -37.0 . . 101 . C . 102 . N . 102 . CA . 102 . C parsed_1eo1 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -37.0 . . 102 . C . 103 . N . 103 . CA . 103 . C parsed_1eo1 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -37.0 . . 103 . C . 104 . N . 104 . CA . 104 . C parsed_1eo1 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -37.0 . . 104 . C . 105 . N . 105 . CA . 105 . C parsed_1eo1 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 1 . C . 2 . N . 2 . CA . 2 . C parsed_1eo1 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_1eo1 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_1eo1 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_1eo1 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_1eo1 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_1eo1 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 26 . C . 27 . N . 27 . CA . 27 . C parsed_1eo1 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 27 . C . 28 . N . 28 . CA . 28 . C parsed_1eo1 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 28 . C . 29 . N . 29 . CA . 29 . C parsed_1eo1 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 29 . C . 30 . N . 30 . CA . 30 . C parsed_1eo1 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 30 . C . 31 . N . 31 . CA . 31 . C parsed_1eo1 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 31 . C . 32 . N . 32 . CA . 32 . C parsed_1eo1 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 32 . C . 33 . N . 33 . CA . 33 . C parsed_1eo1 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 36 . C . 37 . N . 37 . CA . 37 . C parsed_1eo1 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 38 . C . 39 . N . 39 . CA . 39 . C parsed_1eo1 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 39 . C . 40 . N . 40 . CA . 40 . C parsed_1eo1 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 40 . C . 41 . N . 41 . CA . 41 . C parsed_1eo1 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 41 . C . 42 . N . 42 . CA . 42 . C parsed_1eo1 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 66 . C . 67 . N . 67 . CA . 67 . C parsed_1eo1 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 67 . C . 68 . N . 68 . CA . 68 . C parsed_1eo1 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 68 . C . 69 . N . 69 . CA . 69 . C parsed_1eo1 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 69 . C . 70 . N . 70 . CA . 70 . C parsed_1eo1 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 86 . C . 87 . N . 87 . CA . 87 . C parsed_1eo1 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 87 . C . 88 . N . 88 . CA . 88 . C parsed_1eo1 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 88 . C . 89 . N . 89 . CA . 89 . C parsed_1eo1 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 89 . C . 90 . N . 90 . CA . 90 . C parsed_1eo1 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 90 . C . 91 . N . 91 . CA . 91 . C parsed_1eo1 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 91 . C . 92 . N . 92 . CA . 92 . C parsed_1eo1 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 111 . C . 112 . N . 112 . CA . 112 . C parsed_1eo1 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_1eo1 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 21 . C . 22 . N . 22 . CA . 22 . C parsed_1eo1 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 34 . C . 35 . N . 35 . CA . 35 . C parsed_1eo1 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 47 . C . 48 . N . 48 . CA . 48 . C parsed_1eo1 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 63 . C . 64 . N . 64 . CA . 64 . C parsed_1eo1 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 107 . C . 108 . N . 108 . CA . 108 . C parsed_1eo1 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -37.0 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_1eo1 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -37.0 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_1eo1 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -37.0 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_1eo1 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -37.0 . . 46 . C . 47 . N . 47 . CA . 47 . C parsed_1eo1 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -37.0 . . 72 . C . 73 . N . 73 . CA . 73 . C parsed_1eo1 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
;
table of backbone dihedrals from HNHA
: HELIX
;
1 1 3 15 parsed_1eo1 1
2 ": SHEET" 83 1 83 15 parsed_1eo1 1
3 OTHER 172 1 172 16 parsed_1eo1 1
stop_
save_
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