NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | subtype | subsubtype | item_count |
|
|
28876 |
1a6x   |
cing | recoord | 2-parsed | STAR | distance | hydrogen bond | simple | 42 |
data_1a6x_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1a6x
_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_1a6x 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1a6x
_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 1a6x "Master copy" parsed_1a6x
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1a6x
_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 1a6x.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1a6x 1
1 1a6x.mr . . DYANA/DIANA 2 distance "hydrogen bond" simple 42 parsed_1a6x 1
1 1a6x.mr . . DYANA/DIANA 3 distance NOE simple 0 parsed_1a6x 1
1 1a6x.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_1a6x 1
1 1a6x.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1a6x 1
stop_
save_
save_DYANA/DIANA_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1a6x
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 2
_Distance_constraint_list.Details "Generated by Wattos"
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . parsed_1a6x 1
2 1 . . . parsed_1a6x 1
3 1 . . . parsed_1a6x 1
4 1 . . . parsed_1a6x 1
5 1 . . . parsed_1a6x 1
6 1 . . . parsed_1a6x 1
7 1 . . . parsed_1a6x 1
8 1 . . . parsed_1a6x 1
9 1 . . . parsed_1a6x 1
10 1 . . . parsed_1a6x 1
11 1 . . . parsed_1a6x 1
12 1 . . . parsed_1a6x 1
13 1 . . . parsed_1a6x 1
14 1 . . . parsed_1a6x 1
15 1 . . . parsed_1a6x 1
16 1 . . . parsed_1a6x 1
17 1 . . . parsed_1a6x 1
18 1 . . . parsed_1a6x 1
19 1 . . . parsed_1a6x 1
20 1 . . . parsed_1a6x 1
21 1 . . . parsed_1a6x 1
22 1 . . . parsed_1a6x 1
23 1 . . . parsed_1a6x 1
24 1 . . . parsed_1a6x 1
25 1 . . . parsed_1a6x 1
26 1 . . . parsed_1a6x 1
27 1 . . . parsed_1a6x 1
28 1 . . . parsed_1a6x 1
29 1 . . . parsed_1a6x 1
30 1 . . . parsed_1a6x 1
31 1 . . . parsed_1a6x 1
32 1 . . . parsed_1a6x 1
33 1 . . . parsed_1a6x 1
34 1 . . . parsed_1a6x 1
35 1 . . . parsed_1a6x 1
36 1 . . . parsed_1a6x 1
37 1 . . . parsed_1a6x 1
38 1 . . . parsed_1a6x 1
39 1 . . . parsed_1a6x 1
40 1 . . . parsed_1a6x 1
41 1 . . . parsed_1a6x 1
42 1 . . . parsed_1a6x 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 . . . . . . . . . 81 HIS HN parsed_1a6x 1
1 1 2 . . . . . . . . . 155 ILE O parsed_1a6x 1
2 1 1 . . . . . . . . . 81 HIS N parsed_1a6x 1
2 1 2 . . . . . . . . . 155 ILE O parsed_1a6x 1
3 1 1 . . . . . . . . . 155 ILE HN parsed_1a6x 1
3 1 2 . . . . . . . . . 81 HIS O parsed_1a6x 1
4 1 1 . . . . . . . . . 155 ILE N parsed_1a6x 1
4 1 2 . . . . . . . . . 81 HIS O parsed_1a6x 1
5 1 1 . . . . . . . . . 85 SER HN parsed_1a6x 1
5 1 2 . . . . . . . . . 150 GLU O parsed_1a6x 1
6 1 1 . . . . . . . . . 85 SER N parsed_1a6x 1
6 1 2 . . . . . . . . . 150 GLU O parsed_1a6x 1
7 1 1 . . . . . . . . . 89 GLY HN parsed_1a6x 1
7 1 2 . . . . . . . . . 146 VAL O parsed_1a6x 1
8 1 1 . . . . . . . . . 89 GLY N parsed_1a6x 1
8 1 2 . . . . . . . . . 146 VAL O parsed_1a6x 1
9 1 1 . . . . . . . . . 146 VAL HN parsed_1a6x 1
9 1 2 . . . . . . . . . 89 GLY O parsed_1a6x 1
10 1 1 . . . . . . . . . 146 VAL N parsed_1a6x 1
10 1 2 . . . . . . . . . 89 GLY O parsed_1a6x 1
11 1 1 . . . . . . . . . 90 THR HN parsed_1a6x 1
11 1 2 . . . . . . . . . 119 GLU O parsed_1a6x 1
12 1 1 . . . . . . . . . 90 THR N parsed_1a6x 1
12 1 2 . . . . . . . . . 119 GLU O parsed_1a6x 1
13 1 1 . . . . . . . . . 119 GLU HN parsed_1a6x 1
13 1 2 . . . . . . . . . 90 THR O parsed_1a6x 1
14 1 1 . . . . . . . . . 119 GLU N parsed_1a6x 1
14 1 2 . . . . . . . . . 90 THR O parsed_1a6x 1
15 1 1 . . . . . . . . . 91 PHE HN parsed_1a6x 1
15 1 2 . . . . . . . . . 144 GLN O parsed_1a6x 1
16 1 1 . . . . . . . . . 91 PHE N parsed_1a6x 1
16 1 2 . . . . . . . . . 144 GLN O parsed_1a6x 1
17 1 1 . . . . . . . . . 92 TYR HN parsed_1a6x 1
17 1 2 . . . . . . . . . 117 ILE O parsed_1a6x 1
18 1 1 . . . . . . . . . 92 TYR N parsed_1a6x 1
18 1 2 . . . . . . . . . 117 ILE O parsed_1a6x 1
19 1 1 . . . . . . . . . 117 ILE HN parsed_1a6x 1
19 1 2 . . . . . . . . . 92 TYR O parsed_1a6x 1
20 1 1 . . . . . . . . . 117 ILE N parsed_1a6x 1
20 1 2 . . . . . . . . . 92 TYR O parsed_1a6x 1
21 1 1 . . . . . . . . . 102 PHE HN parsed_1a6x 1
21 1 2 . . . . . . . . . 93 ARG O parsed_1a6x 1
22 1 1 . . . . . . . . . 102 PHE N parsed_1a6x 1
22 1 2 . . . . . . . . . 93 ARG O parsed_1a6x 1
23 1 1 . . . . . . . . . 109 VAL HN parsed_1a6x 1
23 1 2 . . . . . . . . . 133 GLY O parsed_1a6x 1
24 1 1 . . . . . . . . . 109 VAL N parsed_1a6x 1
24 1 2 . . . . . . . . . 133 GLY O parsed_1a6x 1
25 1 1 . . . . . . . . . 133 GLY HN parsed_1a6x 1
25 1 2 . . . . . . . . . 109 VAL O parsed_1a6x 1
26 1 1 . . . . . . . . . 133 GLY N parsed_1a6x 1
26 1 2 . . . . . . . . . 109 VAL O parsed_1a6x 1
27 1 1 . . . . . . . . . 127 ILE HN parsed_1a6x 1
27 1 2 . . . . . . . . . 116 CYS O parsed_1a6x 1
28 1 1 . . . . . . . . . 127 ILE N parsed_1a6x 1
28 1 2 . . . . . . . . . 116 CYS O parsed_1a6x 1
29 1 1 . . . . . . . . . 118 VAL HN parsed_1a6x 1
29 1 2 . . . . . . . . . 125 ASN O parsed_1a6x 1
30 1 1 . . . . . . . . . 118 VAL N parsed_1a6x 1
30 1 2 . . . . . . . . . 125 ASN O parsed_1a6x 1
31 1 1 . . . . . . . . . 125 ASN HN parsed_1a6x 1
31 1 2 . . . . . . . . . 118 VAL O parsed_1a6x 1
32 1 1 . . . . . . . . . 125 ASN N parsed_1a6x 1
32 1 2 . . . . . . . . . 118 VAL O parsed_1a6x 1
33 1 1 . . . . . . . . . 120 ALA HN parsed_1a6x 1
33 1 2 . . . . . . . . . 123 MET O parsed_1a6x 1
34 1 1 . . . . . . . . . 120 ALA N parsed_1a6x 1
34 1 2 . . . . . . . . . 123 MET O parsed_1a6x 1
35 1 1 . . . . . . . . . 123 MET HN parsed_1a6x 1
35 1 2 . . . . . . . . . 120 ALA O parsed_1a6x 1
36 1 1 . . . . . . . . . 123 MET N parsed_1a6x 1
36 1 2 . . . . . . . . . 120 ALA O parsed_1a6x 1
37 1 1 . . . . . . . . . 129 ALA HN parsed_1a6x 1
37 1 2 . . . . . . . . . 113 ASP O parsed_1a6x 1
38 1 1 . . . . . . . . . 129 ALA N parsed_1a6x 1
38 1 2 . . . . . . . . . 113 ASP O parsed_1a6x 1
39 1 1 . . . . . . . . . 137 ALA HN parsed_1a6x 1
39 1 2 . . . . . . . . . 154 VAL O parsed_1a6x 1
40 1 1 . . . . . . . . . 137 ALA N parsed_1a6x 1
40 1 2 . . . . . . . . . 154 VAL O parsed_1a6x 1
41 1 1 . . . . . . . . . 150 GlU HN parsed_1a6x 1
41 1 2 . . . . . . . . . 147 GLU O parsed_1a6x 1
42 1 1 . . . . . . . . . 150 GlU N parsed_1a6x 1
42 1 2 . . . . . . . . . 147 GLU O parsed_1a6x 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . . 2.00 parsed_1a6x 1
2 1 . . . . . . . 3.00 parsed_1a6x 1
3 1 . . . . . . . 2.00 parsed_1a6x 1
4 1 . . . . . . . 3.00 parsed_1a6x 1
5 1 . . . . . . . 2.00 parsed_1a6x 1
6 1 . . . . . . . 3.00 parsed_1a6x 1
7 1 . . . . . . . 2.00 parsed_1a6x 1
8 1 . . . . . . . 3.00 parsed_1a6x 1
9 1 . . . . . . . 2.00 parsed_1a6x 1
10 1 . . . . . . . 3.00 parsed_1a6x 1
11 1 . . . . . . . 2.00 parsed_1a6x 1
12 1 . . . . . . . 3.00 parsed_1a6x 1
13 1 . . . . . . . 2.00 parsed_1a6x 1
14 1 . . . . . . . 3.00 parsed_1a6x 1
15 1 . . . . . . . 2.00 parsed_1a6x 1
16 1 . . . . . . . 3.00 parsed_1a6x 1
17 1 . . . . . . . 2.00 parsed_1a6x 1
18 1 . . . . . . . 3.00 parsed_1a6x 1
19 1 . . . . . . . 2.00 parsed_1a6x 1
20 1 . . . . . . . 3.00 parsed_1a6x 1
21 1 . . . . . . . 2.00 parsed_1a6x 1
22 1 . . . . . . . 3.00 parsed_1a6x 1
23 1 . . . . . . . 2.00 parsed_1a6x 1
24 1 . . . . . . . 3.00 parsed_1a6x 1
25 1 . . . . . . . 2.00 parsed_1a6x 1
26 1 . . . . . . . 3.00 parsed_1a6x 1
27 1 . . . . . . . 2.00 parsed_1a6x 1
28 1 . . . . . . . 3.00 parsed_1a6x 1
29 1 . . . . . . . 2.00 parsed_1a6x 1
30 1 . . . . . . . 3.00 parsed_1a6x 1
31 1 . . . . . . . 2.00 parsed_1a6x 1
32 1 . . . . . . . 3.00 parsed_1a6x 1
33 1 . . . . . . . 2.00 parsed_1a6x 1
34 1 . . . . . . . 3.00 parsed_1a6x 1
35 1 . . . . . . . 2.00 parsed_1a6x 1
36 1 . . . . . . . 3.00 parsed_1a6x 1
37 1 . . . . . . . 2.00 parsed_1a6x 1
38 1 . . . . . . . 3.00 parsed_1a6x 1
39 1 . . . . . . . 2.00 parsed_1a6x 1
40 1 . . . . . . . 3.00 parsed_1a6x 1
41 1 . . . . . . . 2.00 parsed_1a6x 1
42 1 . . . . . . . 3.00 parsed_1a6x 1
stop_
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1 "#################H-bonds###################" 1 1 1 45 parsed_1a6x 1
2 "83 VAL HN 153 VAL O 2.00 1.00E+00" 8 1 8 47 parsed_1a6x 1
3 "83 VAL N 153 VAL O 3.00 1.00E+00" 9 1 9 47 parsed_1a6x 1
4 "153 VAL HN 83 VAL O 2.00 1.00E+00" 10 1 10 47 parsed_1a6x 1
5 "153 VAL N 83 VAL O 3.00 1.00E+00" 11 1 11 47 parsed_1a6x 1
6 "99 ALA HN 96 SER O 2.00 1.00E+00" 34 1 34 47 parsed_1a6x 1
7 "99 ALA N 96 SER O 3.00 1.00E+00" 35 1 35 47 parsed_1a6x 1
8 "107 GLN HN 104 GLU O 2.00 1.00E+00" 40 1 40 47 parsed_1a6x 1
9 "107 GLN N 104 GLU O 3.00 1.00E+00" 41 1 41 47 parsed_1a6x 1
10 "116 CYS HN 127 ILE O 2.00 1.00E+00#b-bulge" 50 1 50 55 parsed_1a6x 1
11 "116 CYS N 127 ILE O 3.00 1.00E+00" 51 1 51 47 parsed_1a6x 1
12 "127 ILE HN 116 CYS O 2.00 1.00E+00" 52 1 52 47 parsed_1a6x 1
13 "127 ILE N 116 CYS O 3.00 1.00E+00" 53 1 53 47 parsed_1a6x 1
14 check,b-bulge 68 47 68 60 parsed_1a6x 1
15 check 69 47 69 52 parsed_1a6x 1
16 "154 VAL HN 137 ALA O 2.00 1.00E+00#check" 70 1 70 53 parsed_1a6x 1
17 "154 VAL N 137 ALA O 3.00 1.00E+00#check" 71 1 71 53 parsed_1a6x 1
18 "143 GLY HN 91 PHE O 2.00 1.00E+00#check" 73 1 73 53 parsed_1a6x 1
19 "143 GLY N 91 PHE O 3.00 1.00E+00#check" 74 1 74 53 parsed_1a6x 1
20 "##################################################" 80 1 80 52 parsed_1a6x 1
stop_
save_
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