NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
596332 |
2mw4   |
25298 | cing | 2-parsed | STAR | dihedral angle | 60 |
data_2mw4_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2mw4
_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_2mw4 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2mw4
_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 2mw4 "Master copy" parsed_2mw4
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2mw4
_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 2mw4.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2mw4 1
1 2mw4.mr . . XPLOR/CNS 2 distance NOE simple 1433 parsed_2mw4 1
1 2mw4.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 40 parsed_2mw4 1
1 2mw4.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 60 parsed_2mw4 1
1 2mw4.mr . . XPLOR/CNS 5 planarity "Not applicable" "Not applicable" 0 parsed_2mw4 1
1 2mw4.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2mw4 1
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2mw4
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175 -35 . . 108 . C . 109 . N . 109 . CA . 109 . C parsed_2mw4 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 85 185 . . 109 . N . 109 . CA . 109 . C . 110 . N parsed_2mw4 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175 -35 . . 109 . C . 110 . N . 110 . CA . 110 . C parsed_2mw4 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 85 185 . . 110 . N . 110 . CA . 110 . C . 111 . N parsed_2mw4 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175 -35 . . 110 . C . 111 . N . 111 . CA . 111 . C parsed_2mw4 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 85 185 . . 111 . N . 111 . CA . 111 . C . 112 . N parsed_2mw4 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175 -35 . . 111 . C . 112 . N . 112 . CA . 112 . C parsed_2mw4 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 85 185 . . 112 . N . 112 . CA . 112 . C . 113 . N parsed_2mw4 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175 -35 . . 112 . C . 113 . N . 113 . CA . 113 . C parsed_2mw4 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 85 185 . . 113 . N . 113 . CA . 113 . C . 114 . N parsed_2mw4 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135 -25 . . 116 . C . 117 . N . 117 . CA . 117 . C parsed_2mw4 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75 35 . . 117 . N . 117 . CA . 117 . C . 118 . N parsed_2mw4 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135 -25 . . 117 . C . 118 . N . 118 . CA . 118 . C parsed_2mw4 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75 35 . . 118 . N . 118 . CA . 118 . C . 119 . N parsed_2mw4 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135 -25 . . 118 . C . 119 . N . 119 . CA . 119 . C parsed_2mw4 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75 35 . . 119 . N . 119 . CA . 119 . C . 120 . N parsed_2mw4 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135 -25 . . 119 . C . 120 . N . 120 . CA . 120 . C parsed_2mw4 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75 35 . . 120 . N . 120 . CA . 120 . C . 121 . N parsed_2mw4 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135 -25 . . 120 . C . 121 . N . 121 . CA . 121 . C parsed_2mw4 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75 35 . . 121 . N . 121 . CA . 121 . C . 122 . N parsed_2mw4 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135 -25 . . 121 . C . 122 . N . 122 . CA . 122 . C parsed_2mw4 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75 35 . . 122 . N . 122 . CA . 122 . C . 123 . N parsed_2mw4 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135 -25 . . 122 . C . 123 . N . 123 . CA . 123 . C parsed_2mw4 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75 35 . . 123 . N . 123 . CA . 123 . C . 124 . N parsed_2mw4 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135 -25 . . 123 . C . 124 . N . 124 . CA . 124 . C parsed_2mw4 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75 35 . . 124 . N . 124 . CA . 124 . C . 125 . N parsed_2mw4 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135 -25 . . 124 . C . 125 . N . 125 . CA . 125 . C parsed_2mw4 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75 35 . . 125 . N . 125 . CA . 125 . C . 126 . N parsed_2mw4 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135 -25 . . 125 . C . 126 . N . 126 . CA . 126 . C parsed_2mw4 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75 35 . . 126 . N . 126 . CA . 126 . C . 127 . N parsed_2mw4 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135 -25 . . 126 . C . 127 . N . 127 . CA . 127 . C parsed_2mw4 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75 35 . . 127 . N . 127 . CA . 127 . C . 128 . N parsed_2mw4 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135 -25 . . 127 . C . 128 . N . 128 . CA . 128 . C parsed_2mw4 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75 35 . . 128 . N . 128 . CA . 128 . C . 129 . N parsed_2mw4 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135 -25 . . 128 . C . 129 . N . 129 . CA . 129 . C parsed_2mw4 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75 35 . . 129 . N . 129 . CA . 129 . C . 130 . N parsed_2mw4 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135 -25 . . 129 . C . 130 . N . 130 . CA . 130 . C parsed_2mw4 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75 35 . . 130 . N . 130 . CA . 130 . C . 131 . N parsed_2mw4 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135 -25 . . 130 . C . 131 . N . 131 . CA . 131 . C parsed_2mw4 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75 35 . . 131 . N . 131 . CA . 131 . C . 132 . N parsed_2mw4 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135 -25 . . 131 . C . 132 . N . 132 . CA . 132 . C parsed_2mw4 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75 35 . . 132 . N . 132 . CA . 132 . C . 133 . N parsed_2mw4 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135 -25 . . 132 . C . 133 . N . 133 . CA . 133 . C parsed_2mw4 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75 35 . . 133 . N . 133 . CA . 133 . C . 134 . N parsed_2mw4 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135 -25 . . 137 . C . 138 . N . 138 . CA . 138 . C parsed_2mw4 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75 35 . . 138 . N . 138 . CA . 138 . C . 139 . N parsed_2mw4 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135 -25 . . 138 . C . 139 . N . 139 . CA . 139 . C parsed_2mw4 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75 35 . . 139 . N . 139 . CA . 139 . C . 140 . N parsed_2mw4 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135 -25 . . 139 . C . 140 . N . 140 . CA . 140 . C parsed_2mw4 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75 35 . . 140 . N . 140 . CA . 140 . C . 141 . N parsed_2mw4 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135 -25 . . 140 . C . 141 . N . 141 . CA . 141 . C parsed_2mw4 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75 35 . . 141 . N . 141 . CA . 141 . C . 142 . N parsed_2mw4 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135 -25 . . 141 . C . 142 . N . 142 . CA . 142 . C parsed_2mw4 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75 35 . . 142 . N . 142 . CA . 142 . C . 143 . N parsed_2mw4 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135 -25 . . 142 . C . 143 . N . 143 . CA . 143 . C parsed_2mw4 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75 35 . . 143 . N . 143 . CA . 143 . C . 144 . N parsed_2mw4 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135 -25 . . 143 . C . 144 . N . 144 . CA . 144 . C parsed_2mw4 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75 35 . . 144 . N . 144 . CA . 144 . C . 145 . N parsed_2mw4 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135 -25 . . 144 . C . 145 . N . 145 . CA . 145 . C parsed_2mw4 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75 35 . . 145 . N . 145 . CA . 145 . C . 146 . N parsed_2mw4 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 angles
PHI and PSI angles
amply defined as based on NOEs & TALOS
;
1 1 6 2 parsed_2mw4 1
stop_
save_
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