NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
42358 |
1ymo   |
6477 | cing | 2-parsed | STAR | dihedral angle | 47 |
data_1ymo_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1ymo
_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_1ymo 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1ymo
_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 1ymo "Master copy" parsed_1ymo
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1ymo
_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 1ymo.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1ymo 1
1 1ymo.mr . . XPLOR/CNS 2 distance NOE simple 783 parsed_1ymo 1
1 1ymo.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 90 parsed_1ymo 1
1 1ymo.mr . . XPLOR/CNS 4 planarity "Not applicable" "Not applicable" 0 parsed_1ymo 1
1 1ymo.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 47 parsed_1ymo 1
1 1ymo.mr . . XPLOR/CNS 6 protocol "structure calculation" "Not applicable" 0 parsed_1ymo 1
1 1ymo.mr . . XPLOR/CNS 7 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1ymo 1
1 1ymo.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1ymo 1
stop_
save_
save_CNS/XPLOR_dihedral_5
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1ymo
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -207.0 -87.0 . . 1 . O4' . 1 . C1' . 1 . N9 . 1 . C4 parsed_1ymo 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -130.0 . . 2 . O4' . 2 . C1' . 2 . N9 . 2 . C4 parsed_1ymo 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -130.0 . . 3 . O4' . 3 . C1' . 3 . N9 . 3 . C4 parsed_1ymo 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -130.0 . . 4 . O4' . 4 . C1' . 4 . N1 . 4 . C2 parsed_1ymo 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -130.0 . . 5 . O4' . 5 . C1' . 5 . N1 . 5 . C2 parsed_1ymo 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -130.0 . . 6 . O4' . 6 . C1' . 6 . N9 . 6 . C4 parsed_1ymo 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -130.0 . . 7 . O4' . 7 . C1' . 7 . N1 . 7 . C2 parsed_1ymo 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -130.0 . . 8 . O4' . 8 . C1' . 8 . N1 . 8 . C2 parsed_1ymo 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -130.0 . . 9 . O4' . 9 . C1' . 9 . N1 . 9 . C2 parsed_1ymo 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -130.0 . . 10 . O4' . 10 . C1' . 10 . N1 . 10 . C2 parsed_1ymo 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -100.0 . . 11 . O4' . 11 . C1' . 11 . N1 . 11 . C2 parsed_1ymo 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -207.0 -87.0 . . 12 . O4' . 12 . C1' . 12 . N1 . 12 . C2 parsed_1ymo 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -130.0 . . 13 . O4' . 13 . C1' . 13 . N1 . 13 . C2 parsed_1ymo 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -100.0 . . 14 . O4' . 14 . C1' . 14 . N1 . 14 . C2 parsed_1ymo 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -130.0 . . 15 . O4' . 15 . C1' . 15 . N9 . 15 . C4 parsed_1ymo 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -130.0 . . 16 . O4' . 16 . C1' . 16 . N1 . 16 . C2 parsed_1ymo 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -130.0 . . 17 . O4' . 17 . C1' . 17 . N1 . 17 . C2 parsed_1ymo 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -130.0 . . 18 . O4' . 18 . C1' . 18 . N9 . 18 . C4 parsed_1ymo 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -130.0 . . 19 . O4' . 19 . C1' . 19 . N9 . 19 . C4 parsed_1ymo 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -130.0 . . 20 . O4' . 20 . C1' . 20 . N1 . 20 . C2 parsed_1ymo 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -130.0 . . 21 . O4' . 21 . C1' . 21 . N1 . 21 . C2 parsed_1ymo 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -130.0 . . 22 . O4' . 22 . C1' . 22 . N1 . 22 . C2 parsed_1ymo 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -130.0 . . 23 . O4' . 23 . C1' . 23 . N1 . 23 . C2 parsed_1ymo 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -130.0 . . 24 . O4' . 24 . C1' . 24 . N1 . 24 . C2 parsed_1ymo 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -130.0 . . 25 . O4' . 25 . C1' . 25 . N9 . 25 . C4 parsed_1ymo 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -130.0 . . 26 . O4' . 26 . C1' . 26 . N9 . 26 . C4 parsed_1ymo 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -130.0 . . 27 . O4' . 27 . C1' . 27 . N1 . 27 . C2 parsed_1ymo 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -130.0 . . 28 . O4' . 28 . C1' . 28 . N1 . 28 . C2 parsed_1ymo 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -100.0 . . 29 . O4' . 29 . C1' . 29 . N1 . 29 . C2 parsed_1ymo 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -100.0 . . 30 . O4' . 30 . C1' . 30 . N1 . 30 . C2 parsed_1ymo 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -100.0 . . 31 . O4' . 31 . C1' . 31 . N9 . 31 . C4 parsed_1ymo 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -130.0 . . 32 . O4' . 32 . C1' . 32 . N9 . 32 . C4 parsed_1ymo 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -130.0 . . 33 . O4' . 33 . C1' . 33 . N9 . 33 . C4 parsed_1ymo 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -130.0 . . 34 . O4' . 34 . C1' . 34 . N1 . 34 . C2 parsed_1ymo 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -130.0 . . 35 . O4' . 35 . C1' . 35 . N9 . 35 . C4 parsed_1ymo 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -130.0 . . 36 . O4' . 36 . C1' . 36 . N9 . 36 . C4 parsed_1ymo 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -207.0 -87.0 . . 37 . O4' . 37 . C1' . 37 . N9 . 37 . C4 parsed_1ymo 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -130.0 . . 38 . O4' . 38 . C1' . 38 . N9 . 38 . C4 parsed_1ymo 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -130.0 . . 39 . O4' . 39 . C1' . 39 . N9 . 39 . C4 parsed_1ymo 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -130.0 . . 40 . O4' . 40 . C1' . 40 . N9 . 40 . C4 parsed_1ymo 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -130.0 . . 41 . O4' . 41 . C1' . 41 . N9 . 41 . C4 parsed_1ymo 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -130.0 . . 42 . O4' . 42 . C1' . 42 . N1 . 42 . C2 parsed_1ymo 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -130.0 . . 43 . O4' . 43 . C1' . 43 . N1 . 43 . C2 parsed_1ymo 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -130.0 . . 44 . O4' . 44 . C1' . 44 . N9 . 44 . C4 parsed_1ymo 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -130.0 . . 45 . O4' . 45 . C1' . 45 . N9 . 45 . C4 parsed_1ymo 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -130.0 . . 46 . O4' . 46 . C1' . 46 . N1 . 46 . C2 parsed_1ymo 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -207.0 -87.0 . . 47 . O4' . 47 . C1' . 47 . N9 . 47 . C4 parsed_1ymo 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 dihedrals 1 1 1 11 parsed_1ymo 1
2 "restraints dihedral" 2 1 2 29 parsed_1ymo 1
3
;
chi dihedral restraints for DCLOOP hairpin
All chi angles are restrainted as "anti" or as "syn".
;
4 1 5 56 parsed_1ymo 1
4 "anti interm" 12 53 12 66 parsed_1ymo 1
5 anti 17 53 17 59 parsed_1ymo 1
6 anti 22 53 22 59 parsed_1ymo 1
7 anti 27 53 27 59 parsed_1ymo 1
8 anti 32 53 32 59 parsed_1ymo 1
9 anti 37 53 37 59 parsed_1ymo 1
10 anti 42 53 42 59 parsed_1ymo 1
11 anti 47 53 47 59 parsed_1ymo 1
12 anti 52 53 52 59 parsed_1ymo 1
13 anti 57 53 57 59 parsed_1ymo 1
14 "anti south" 62 53 62 65 parsed_1ymo 1
15 "anti interm" 67 53 67 66 parsed_1ymo 1
16 anti 72 53 72 59 parsed_1ymo 1
17 "anti south" 77 53 77 65 parsed_1ymo 1
18 anti 82 53 82 59 parsed_1ymo 1
19 anti 87 53 87 59 parsed_1ymo 1
20 anti 92 53 92 59 parsed_1ymo 1
21 anti 97 53 97 59 parsed_1ymo 1
22 anti 102 53 102 59 parsed_1ymo 1
23 anti 107 53 107 59 parsed_1ymo 1
24 anti 112 53 112 59 parsed_1ymo 1
25 anti 117 53 117 59 parsed_1ymo 1
26 anti 122 53 122 59 parsed_1ymo 1
27 anti 127 53 127 59 parsed_1ymo 1
28 anti 132 53 132 59 parsed_1ymo 1
29 anti 137 53 137 59 parsed_1ymo 1
30 anti 142 53 142 59 parsed_1ymo 1
31 anti 147 53 147 59 parsed_1ymo 1
32 "anti south" 152 53 152 65 parsed_1ymo 1
33 "anti south" 157 53 157 65 parsed_1ymo 1
34 "anti south" 162 54 162 66 parsed_1ymo 1
35 anti 167 54 167 60 parsed_1ymo 1
36 anti 172 54 172 60 parsed_1ymo 1
37 anti 177 54 177 60 parsed_1ymo 1
38 anti 182 54 182 60 parsed_1ymo 1
39 anti 187 54 187 60 parsed_1ymo 1
40 "anti interm" 192 54 192 67 parsed_1ymo 1
41 anti 197 54 197 60 parsed_1ymo 1
42 anti 202 54 202 60 parsed_1ymo 1
43 anti 207 53 207 59 parsed_1ymo 1
44 anti 212 53 212 59 parsed_1ymo 1
45 anti 217 53 217 59 parsed_1ymo 1
46 anti 222 53 222 59 parsed_1ymo 1
47 anti 227 53 227 59 parsed_1ymo 1
48 anti 232 53 232 59 parsed_1ymo 1
49 anti 237 53 237 59 parsed_1ymo 1
50 "anti interm" 242 53 242 66 parsed_1ymo 1
stop_
loop_
_TA_constraint_parse_err.ID
_TA_constraint_parse_err.Content
_TA_constraint_parse_err.Begin_line
_TA_constraint_parse_err.Begin_column
_TA_constraint_parse_err.End_line
_TA_constraint_parse_err.End_column
_TA_constraint_parse_err.Entry_ID
_TA_constraint_parse_err.Torsion_angle_constraint_list_ID
1 "Scale = 1.0" 7 2 7 12 parsed_1ymo 1
stop_
save_
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