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 | subtype | subsubtype | item_count |
|
|
38077 |
1qrj   |
4311 | cing | 2-parsed | STAR | distance | hydrogen bond | simple | 14 |
data_1qrj_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1qrj
_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_1qrj 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1qrj
_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 1qrj "Master copy" parsed_1qrj
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1qrj
_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 1qrj.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1qrj 1
1 1qrj.mr . . DYANA/DIANA 2 distance NOE simple 62 parsed_1qrj 1
1 1qrj.mr . . DYANA/DIANA 3 distance "hydrogen bond" simple 16 parsed_1qrj 1
1 1qrj.mr . . DYANA/DIANA 4 distance NOE simple 158 parsed_1qrj 1
1 1qrj.mr . . DYANA/DIANA 5 distance "hydrogen bond" simple 18 parsed_1qrj 1
1 1qrj.mr . . DYANA/DIANA 6 distance NOE simple 166 parsed_1qrj 1
1 1qrj.mr . . DYANA/DIANA 7 distance "hydrogen bond" simple 14 parsed_1qrj 1
1 1qrj.mr . . DYANA/DIANA 8 distance NOE simple 124 parsed_1qrj 1
1 1qrj.mr . . DYANA/DIANA 9 distance "hydrogen bond" simple 34 parsed_1qrj 1
1 1qrj.mr . . DYANA/DIANA 10 distance NOE simple 395 parsed_1qrj 1
1 1qrj.mr . . DYANA/DIANA 11 distance "hydrogen bond" simple 26 parsed_1qrj 1
1 1qrj.mr . . DYANA/DIANA 12 distance NOE simple 661 parsed_1qrj 1
1 1qrj.mr . . DYANA/DIANA 13 distance "hydrogen bond" simple 18 parsed_1qrj 1
1 1qrj.mr . . DYANA/DIANA 14 distance NOE simple 209 parsed_1qrj 1
1 1qrj.mr . . DYANA/DIANA 15 distance "hydrogen bond" simple 14 parsed_1qrj 1
1 1qrj.mr . . DYANA/DIANA 16 distance NOE simple 0 parsed_1qrj 1
1 1qrj.mr . . DYANA/DIANA 17 distance "hydrogen bond" simple 0 parsed_1qrj 1
1 1qrj.mr . . DYANA/DIANA 18 distance NOE simple 0 parsed_1qrj 1
1 1qrj.mr . . DYANA/DIANA 19 distance "hydrogen bond" simple 0 parsed_1qrj 1
1 1qrj.mr . . DYANA/DIANA 20 distance NOE simple 0 parsed_1qrj 1
1 1qrj.mr . . "MR format" 21 comment "Not applicable" "Not applicable" 0 parsed_1qrj 1
1 1qrj.mr . . "MR format" 22 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1qrj 1
stop_
save_
save_DYANA/DIANA_distance_constraints_15
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1qrj
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 15
_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_1qrj 1
2 1 . . . parsed_1qrj 1
3 1 . . . parsed_1qrj 1
4 1 . . . parsed_1qrj 1
5 1 . . . parsed_1qrj 1
6 1 . . . parsed_1qrj 1
7 1 . . . parsed_1qrj 1
8 1 . . . parsed_1qrj 1
9 1 . . . parsed_1qrj 1
10 1 . . . parsed_1qrj 1
11 1 . . . parsed_1qrj 1
12 1 . . . parsed_1qrj 1
13 1 . . . parsed_1qrj 1
14 1 . . . parsed_1qrj 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 . . . . . . . . . 168 ILE O parsed_1qrj 1
1 1 2 . . . . . . . . . 172 LEU HN parsed_1qrj 1
2 1 1 . . . . . . . . . 168 ILE O parsed_1qrj 1
2 1 2 . . . . . . . . . 172 LEU N parsed_1qrj 1
3 1 1 . . . . . . . . . 169 LEU O parsed_1qrj 1
3 1 2 . . . . . . . . . 173 ALA HN parsed_1qrj 1
4 1 1 . . . . . . . . . 169 LEU O parsed_1qrj 1
4 1 2 . . . . . . . . . 173 ALA N parsed_1qrj 1
5 1 1 . . . . . . . . . 170 ARG+ O parsed_1qrj 1
5 1 2 . . . . . . . . . 174 TYR HN parsed_1qrj 1
6 1 1 . . . . . . . . . 170 ARG+ O parsed_1qrj 1
6 1 2 . . . . . . . . . 174 TYR N parsed_1qrj 1
7 1 1 . . . . . . . . . 171 SER O parsed_1qrj 1
7 1 2 . . . . . . . . . 175 SER HN parsed_1qrj 1
8 1 1 . . . . . . . . . 171 SER O parsed_1qrj 1
8 1 2 . . . . . . . . . 175 SER N parsed_1qrj 1
9 1 1 . . . . . . . . . 176 ASN O parsed_1qrj 1
9 1 2 . . . . . . . . . 138 GLN HN parsed_1qrj 1
10 1 1 . . . . . . . . . 176 ASN O parsed_1qrj 1
10 1 2 . . . . . . . . . 138 GLN N parsed_1qrj 1
11 1 1 . . . . . . . . . 138 GLN O parsed_1qrj 1
11 1 2 . . . . . . . . . 178 ASN HN parsed_1qrj 1
12 1 1 . . . . . . . . . 138 GLN O parsed_1qrj 1
12 1 2 . . . . . . . . . 178 ASN N parsed_1qrj 1
13 1 1 . . . . . . . . . 139 GLY O parsed_1qrj 1
13 1 2 . . . . . . . . . 142 GLU- HN parsed_1qrj 1
14 1 1 . . . . . . . . . 139 GLY O parsed_1qrj 1
14 1 2 . . . . . . . . . 142 GLU- N parsed_1qrj 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 . . . . . . . 2.4 parsed_1qrj 1
2 1 . . . . . . . 3.2 parsed_1qrj 1
3 1 . . . . . . . 2.4 parsed_1qrj 1
4 1 . . . . . . . 3.2 parsed_1qrj 1
5 1 . . . . . . . 2.4 parsed_1qrj 1
6 1 . . . . . . . 3.2 parsed_1qrj 1
7 1 . . . . . . . 2.4 parsed_1qrj 1
8 1 . . . . . . . 3.2 parsed_1qrj 1
9 1 . . . . . . . 2.4 parsed_1qrj 1
10 1 . . . . . . . 3.2 parsed_1qrj 1
11 1 . . . . . . . 2.4 parsed_1qrj 1
12 1 . . . . . . . 3.2 parsed_1qrj 1
13 1 . . . . . . . 2.4 parsed_1qrj 1
14 1 . . . . . . . 3.2 parsed_1qrj 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 7&7-7&7-7&7-7&7-7&7-7&7-7&7-7&7-7&7-7&7-7&7-7&7% 1 1 1 49 parsed_1qrj 1
2 "~~~~~~~~~~~~~HELIX-VII (165-175)~~~~~~~~~~~" 2 1 2 44 parsed_1qrj 1
3 "##############################################" 3 1 3 48 parsed_1qrj 1
4 "extends 165-175 by CS. P167 looks helical and" 4 1 4 46 parsed_1qrj 1
5 "is included.P164 is like a hydrophobic cap." 5 1 5 44 parsed_1qrj 1
6 "H-bond CO164-NH168 seems possible, but maybe no a-helix." 6 1 6 57 parsed_1qrj 1
7 "175 in based on noe, but may be distorted helix at 174/175." 7 1 7 60 parsed_1qrj 1
8 "------------ H-bonds ------------------" 8 1 8 40 parsed_1qrj 1
9 "165 LYS+ O 169 LEU HN 2.4 #" 9 1 9 38 parsed_1qrj 1
10 "165 LYS+ O 169 LEU N 3.2 #" 10 1 10 37 parsed_1qrj 1
11 "166 ASP- O 170 ARG+ HN 2.4" 11 1 11 37 parsed_1qrj 1
12 "166 ASP- O 170 ARG+ N 3.2" 12 1 12 36 parsed_1qrj 1
13 "167 PRO O 171 SER HN 2.4" 13 1 13 35 parsed_1qrj 1
14 "167 PRO O 171 SER N 3.2" 14 1 14 34 parsed_1qrj 1
15 "~~~~~sort on parallel beta sheet~~~~" 24 1 24 37 parsed_1qrj 1
16 "tight turn" 29 1 29 11 parsed_1qrj 1
stop_
save_
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