NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
587919 |
2my1   |
25439 | cing | 2-parsed | STAR | dihedral angle | 57 |
data_2my1_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2my1
_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_2my1 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2my1
_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 2my1 "Master copy" parsed_2my1
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2my1
_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 2my1.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2my1 1
1 2my1.mr . . XPLOR/CNS 2 distance NOE simple 1828 parsed_2my1 1
1 2my1.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 57 parsed_2my1 1
1 2my1.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2my1 1
1 2my1.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 0 parsed_2my1 1
1 2my1.mr . . unknown 6 unknown "Not applicable" "Not applicable" 0 parsed_2my1 1
1 2my1.mr . . XPLOR/CNS 7 distance "general distance" simple 0 parsed_2my1 1
1 2my1.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2my1 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2my1
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 16 . N . 16 . CA . 16 . CB . 16 . CG parsed_2my1 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 17 . N . 17 . CA . 17 . CB . 17 . CG parsed_2my1 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 18 . N . 18 . CA . 18 . CB . 18 . CG parsed_2my1 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 20 . N . 20 . CA . 20 . CB . 20 . CG parsed_2my1 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 23 . N . 23 . CA . 23 . CB . 23 . CG parsed_2my1 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 26 . N . 26 . CA . 26 . CB . 26 . CG parsed_2my1 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 32 . N . 32 . CA . 32 . CB . 32 . CG parsed_2my1 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 34 . N . 34 . CA . 34 . CB . 34 . CG parsed_2my1 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 35 . N . 35 . CA . 35 . CB . 35 . CG parsed_2my1 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 47 . N . 47 . CA . 47 . CB . 47 . CG parsed_2my1 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 49 . N . 49 . CA . 49 . CB . 49 . CG parsed_2my1 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 50 . N . 50 . CA . 50 . CB . 50 . CG parsed_2my1 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 53 . N . 53 . CA . 53 . CB . 53 . CG parsed_2my1 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 54 . N . 54 . CA . 54 . CB . 54 . CG parsed_2my1 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 55 . N . 55 . CA . 55 . CB . 55 . CG parsed_2my1 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 56 . N . 56 . CA . 56 . CB . 56 . CG parsed_2my1 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 57 . N . 57 . CA . 57 . CB . 57 . CG parsed_2my1 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 60 . N . 60 . CA . 60 . CB . 60 . OG parsed_2my1 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 61 . N . 61 . CA . 61 . CB . 61 . CG parsed_2my1 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 62 . N . 62 . CA . 62 . CB . 62 . CG parsed_2my1 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 64 . N . 64 . CA . 64 . CB . 64 . CG parsed_2my1 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 66 . N . 66 . CA . 66 . CB . 66 . CG parsed_2my1 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 68 . N . 68 . CA . 68 . CB . 68 . CG parsed_2my1 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 69 . N . 69 . CA . 69 . CB . 69 . CG parsed_2my1 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 76 . N . 76 . CA . 76 . CB . 76 . CG parsed_2my1 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 78 . N . 78 . CA . 78 . CB . 78 . CG parsed_2my1 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 79 . N . 79 . CA . 79 . CB . 79 . CG parsed_2my1 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 80 . N . 80 . CA . 80 . CB . 80 . CG parsed_2my1 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 81 . N . 81 . CA . 81 . CB . 81 . CG parsed_2my1 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 84 . N . 84 . CA . 84 . CB . 84 . CG parsed_2my1 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 86 . N . 86 . CA . 86 . CB . 86 . CG parsed_2my1 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 88 . N . 88 . CA . 88 . CB . 88 . CG parsed_2my1 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 89 . N . 89 . CA . 89 . CB . 89 . CG parsed_2my1 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 91 . N . 91 . CA . 91 . CB . 91 . CG parsed_2my1 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 94 . N . 94 . CA . 94 . CB . 94 . CG parsed_2my1 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 95 . N . 95 . CA . 95 . CB . 95 . CG parsed_2my1 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 96 . N . 96 . CA . 96 . CB . 96 . CG parsed_2my1 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 97 . N . 97 . CA . 97 . CB . 97 . CG parsed_2my1 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 100 . N . 100 . CA . 100 . CB . 100 . CG parsed_2my1 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 102 . N . 102 . CA . 102 . CB . 102 . CG parsed_2my1 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 104 . N . 104 . CA . 104 . CB . 104 . SG parsed_2my1 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 106 . N . 106 . CA . 106 . CB . 106 . CG parsed_2my1 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 107 . N . 107 . CA . 107 . CB . 107 . CG parsed_2my1 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 108 . N . 108 . CA . 108 . CB . 108 . SG parsed_2my1 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 118 . N . 118 . CA . 118 . CB . 118 . OG parsed_2my1 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 120 . N . 120 . CA . 120 . CB . 120 . SG parsed_2my1 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 122 . N . 122 . CA . 122 . CB . 122 . SG parsed_2my1 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 129 . N . 129 . CA . 129 . CB . 129 . CG parsed_2my1 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 139 . N . 139 . CA . 139 . CB . 139 . CG parsed_2my1 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 142 . N . 142 . CA . 142 . CB . 142 . CG parsed_2my1 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 145 . N . 145 . CA . 145 . CB . 145 . SG parsed_2my1 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 147 . N . 147 . CA . 147 . CB . 147 . CG parsed_2my1 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 148 . N . 148 . CA . 148 . CB . 148 . SG parsed_2my1 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 150 . N . 150 . CA . 150 . CB . 150 . SG parsed_2my1 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 153 . N . 153 . CA . 153 . CB . 153 . SG parsed_2my1 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 155 . N . 155 . CA . 155 . CB . 155 . OG parsed_2my1 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 157 . N . 157 . CA . 157 . CB . 157 . CG parsed_2my1 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
;
Restraint files used to calculated the final round structures of BUD31p.
Dihedral restraints on chi1 derived as described in the Supplementary Material text:
;
1 1 5 88 parsed_2my1 1
stop_
save_
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