NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype | item_count |
491003 | 2krq | cing | 2-parsed | STAR | distance | hydrogen bond | simple | 28 |
data_2krq_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_2krq _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_2krq 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_2krq _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 2krq "Master copy" parsed_2krq stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_2krq _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 2krq.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2krq 1 1 2krq.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 94 parsed_2krq 1 1 2krq.mr . . XPLOR/CNS 3 distance NOE simple 253 parsed_2krq 1 1 2krq.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 28 parsed_2krq 1 1 2krq.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2krq 1 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_2krq _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type "hydrogen bond" _Distance_constraint_list.Constraint_file_ID 1 _Distance_constraint_list.Block_ID 4 _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_2krq 1 2 1 . . . parsed_2krq 1 3 1 . . . parsed_2krq 1 4 1 . . . parsed_2krq 1 5 1 . . . parsed_2krq 1 6 1 . . . parsed_2krq 1 7 1 . . . parsed_2krq 1 8 1 . . . parsed_2krq 1 9 1 . . . parsed_2krq 1 10 1 . . . parsed_2krq 1 11 1 . . . parsed_2krq 1 12 1 . . . parsed_2krq 1 13 1 . . . parsed_2krq 1 14 1 . . . parsed_2krq 1 15 1 . . . parsed_2krq 1 16 1 . . . parsed_2krq 1 17 1 . . . parsed_2krq 1 18 1 . . . parsed_2krq 1 19 1 . . . parsed_2krq 1 20 1 . . . parsed_2krq 1 21 1 . . . parsed_2krq 1 22 1 . . . parsed_2krq 1 23 1 . . . parsed_2krq 1 24 1 . . . parsed_2krq 1 25 1 . . . parsed_2krq 1 26 1 . . . parsed_2krq 1 27 1 . . . parsed_2krq 1 28 1 . . . parsed_2krq 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 . . . . . . . . A 17 . H1 parsed_2krq 1 1 1 2 . . . . . . . . A 1 . N3 parsed_2krq 1 2 1 1 . . . . . . . . A 17 . N1 parsed_2krq 1 2 1 2 . . . . . . . . A 1 . N3 parsed_2krq 1 3 1 1 . . . . . . . . A 17 . H22 parsed_2krq 1 3 1 2 . . . . . . . . A 1 . O2 parsed_2krq 1 4 1 1 . . . . . . . . A 17 . N2 parsed_2krq 1 4 1 2 . . . . . . . . A 1 . O2 parsed_2krq 1 5 1 1 . . . . . . . . A 17 . O6 parsed_2krq 1 5 1 2 . . . . . . . . A 1 . H42 parsed_2krq 1 6 1 1 . . . . . . . . A 17 . O6 parsed_2krq 1 6 1 2 . . . . . . . . A 1 . N4 parsed_2krq 1 7 1 1 . . . . . . . . A 16 . N1 parsed_2krq 1 7 1 2 . . . . . . . . A 2 . H3 parsed_2krq 1 8 1 1 . . . . . . . . A 16 . N1 parsed_2krq 1 8 1 2 . . . . . . . . A 2 . N3 parsed_2krq 1 9 1 1 . . . . . . . . A 16 . N6 parsed_2krq 1 9 1 2 . . . . . . . . A 2 . O4 parsed_2krq 1 10 1 1 . . . . . . . . A 16 . H62 parsed_2krq 1 10 1 2 . . . . . . . . A 2 . O4 parsed_2krq 1 11 1 1 . . . . . . . . A 15 . H1 parsed_2krq 1 11 1 2 . . . . . . . . A 3 . N3 parsed_2krq 1 12 1 1 . . . . . . . . A 15 . N1 parsed_2krq 1 12 1 2 . . . . . . . . A 3 . N3 parsed_2krq 1 13 1 1 . . . . . . . . A 15 . H22 parsed_2krq 1 13 1 2 . . . . . . . . A 3 . O2 parsed_2krq 1 14 1 1 . . . . . . . . A 15 . N2 parsed_2krq 1 14 1 2 . . . . . . . . A 3 . O2 parsed_2krq 1 15 1 1 . . . . . . . . A 15 . O6 parsed_2krq 1 15 1 2 . . . . . . . . A 3 . H42 parsed_2krq 1 16 1 1 . . . . . . . . A 15 . O6 parsed_2krq 1 16 1 2 . . . . . . . . A 3 . N4 parsed_2krq 1 17 1 1 . . . . . . . . A 4 . H1 parsed_2krq 1 17 1 2 . . . . . . . . A 14 . N3 parsed_2krq 1 18 1 1 . . . . . . . . A 4 . N1 parsed_2krq 1 18 1 2 . . . . . . . . A 14 . N3 parsed_2krq 1 19 1 1 . . . . . . . . A 4 . H22 parsed_2krq 1 19 1 2 . . . . . . . . A 14 . O2 parsed_2krq 1 20 1 1 . . . . . . . . A 4 . N2 parsed_2krq 1 20 1 2 . . . . . . . . A 14 . O2 parsed_2krq 1 21 1 1 . . . . . . . . A 4 . O6 parsed_2krq 1 21 1 2 . . . . . . . . A 14 . H42 parsed_2krq 1 22 1 1 . . . . . . . . A 4 . O6 parsed_2krq 1 22 1 2 . . . . . . . . A 14 . N4 parsed_2krq 1 23 1 1 . . . . . . . . A 5 . H1 parsed_2krq 1 23 1 2 . . . . . . . . A 13 . N3 parsed_2krq 1 24 1 1 . . . . . . . . A 5 . N1 parsed_2krq 1 24 1 2 . . . . . . . . A 13 . N3 parsed_2krq 1 25 1 1 . . . . . . . . A 5 . H22 parsed_2krq 1 25 1 2 . . . . . . . . A 13 . O2 parsed_2krq 1 26 1 1 . . . . . . . . A 5 . N2 parsed_2krq 1 26 1 2 . . . . . . . . A 13 . O2 parsed_2krq 1 27 1 1 . . . . . . . . A 5 . O6 parsed_2krq 1 27 1 2 . . . . . . . . A 13 . H42 parsed_2krq 1 28 1 1 . . . . . . . . A 5 . O6 parsed_2krq 1 28 1 2 . . . . . . . . A 13 . N4 parsed_2krq 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 . . . . . 1.85 1.65 2.05 parsed_2krq 1 2 1 . . . . . 2.91 2.66 3.16 parsed_2krq 1 3 1 . . . . . 1.98 1.78 2.18 parsed_2krq 1 4 1 . . . . . 2.90 2.65 3.15 parsed_2krq 1 5 1 . . . . . 1.67 1.47 1.87 parsed_2krq 1 6 1 . . . . . 2.90 2.65 3.15 parsed_2krq 1 7 1 . . . . . 1.85 1.65 2.05 parsed_2krq 1 8 1 . . . . . 2.95 2.70 3.20 parsed_2krq 1 9 1 . . . . . 2.90 2.65 3.15 parsed_2krq 1 10 1 . . . . . 1.78 1.58 1.98 parsed_2krq 1 11 1 . . . . . 1.85 1.65 2.05 parsed_2krq 1 12 1 . . . . . 2.91 2.66 3.16 parsed_2krq 1 13 1 . . . . . 1.98 1.78 2.18 parsed_2krq 1 14 1 . . . . . 2.90 2.65 3.15 parsed_2krq 1 15 1 . . . . . 1.67 1.47 1.87 parsed_2krq 1 16 1 . . . . . 2.90 2.65 3.15 parsed_2krq 1 17 1 . . . . . 1.85 1.65 2.05 parsed_2krq 1 18 1 . . . . . 2.91 2.66 3.16 parsed_2krq 1 19 1 . . . . . 1.98 1.78 2.18 parsed_2krq 1 20 1 . . . . . 2.90 2.65 3.15 parsed_2krq 1 21 1 . . . . . 1.67 1.47 1.87 parsed_2krq 1 22 1 . . . . . 2.90 2.65 3.15 parsed_2krq 1 23 1 . . . . . 1.85 1.65 2.05 parsed_2krq 1 24 1 . . . . . 2.91 2.66 3.16 parsed_2krq 1 25 1 . . . . . 1.98 1.78 2.18 parsed_2krq 1 26 1 . . . . . 2.90 2.65 3.15 parsed_2krq 1 27 1 . . . . . 1.67 1.47 1.87 parsed_2krq 1 28 1 . . . . . 2.90 2.65 3.15 parsed_2krq 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 ; C32-A38 bifurcated Hbonds C6- A12 assign (segid A and resid 12 and name N6 ) (segid A and resid 6 and name O2 ) 2.95 0.25 0.25 assign (segid A and resid 12 and name H62 ) (segid A and resid 6 and name O2 ) 2.80 0.20 0.20 assign (segid A and resid 12 and name H61 ) (segid A and resid 6 and name O2 ) 2.33 0.20 0.20 G17-C1 Watson-Crick (A-form DNA) ; 1 1 5 36 parsed_2krq 1 2 A16-U2 12 1 12 76 parsed_2krq 1 3 "C3-G15 Watson-Crick (A-form DNA)" 17 1 17 77 parsed_2krq 1 4 "g4-C14 Watson-Crick (A-form DNA)" 24 1 24 77 parsed_2krq 1 5 "G5-C13 Watson-Crick (A-form DNA)" 31 1 31 77 parsed_2krq 1 stop_ save_
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