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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