NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
497414 | 2ku1 | cing | 2-parsed | STAR | distance | PRE | 40 |
data_2ku1_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_2ku1 _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_2ku1 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_2ku1 _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 2ku1 "Master copy" parsed_2ku1 stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_2ku1 _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 2ku1.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2ku1 1 1 2ku1.mr . . XPLOR/CNS 2 distance PRE "Not applicable" 40 parsed_2ku1 1 1 2ku1.mr . . XPLOR/CNS 3 distance PRE "Not applicable" 0 parsed_2ku1 1 1 2ku1.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2ku1 1 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_2ku1 _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type PRE _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_2ku1 1 2 1 . . . parsed_2ku1 1 3 1 . . . parsed_2ku1 1 4 1 . . . parsed_2ku1 1 5 1 . . . parsed_2ku1 1 6 1 . . . parsed_2ku1 1 7 1 . . . parsed_2ku1 1 8 1 . . . parsed_2ku1 1 9 1 . . . parsed_2ku1 1 10 1 . . . parsed_2ku1 1 11 1 . . . parsed_2ku1 1 12 1 . . . parsed_2ku1 1 13 1 . . . parsed_2ku1 1 14 1 . . . parsed_2ku1 1 15 1 . . . parsed_2ku1 1 16 1 . . . parsed_2ku1 1 17 1 . . . parsed_2ku1 1 18 1 . . . parsed_2ku1 1 19 1 . . . parsed_2ku1 1 20 1 . . . parsed_2ku1 1 21 1 . . . parsed_2ku1 1 22 1 . . . parsed_2ku1 1 23 1 . . . parsed_2ku1 1 24 1 . . . parsed_2ku1 1 25 1 . . . parsed_2ku1 1 26 1 . . . parsed_2ku1 1 27 1 . . . parsed_2ku1 1 28 1 . . . parsed_2ku1 1 29 1 . . . parsed_2ku1 1 30 1 . . . parsed_2ku1 1 31 1 . . . parsed_2ku1 1 32 1 . . . parsed_2ku1 1 33 1 . . . parsed_2ku1 1 34 1 . . . parsed_2ku1 1 35 1 . . . parsed_2ku1 1 36 1 . . . parsed_2ku1 1 37 1 . . . parsed_2ku1 1 38 1 . . . parsed_2ku1 1 39 1 . . . parsed_2ku1 1 40 1 . . . parsed_2ku1 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 99 . HE1 parsed_2ku1 1 1 1 2 . . . . . . . . . 120 . OS1 parsed_2ku1 1 2 1 1 . . . . . . . . A 101 . HE1 parsed_2ku1 1 2 1 2 . . . . . . . . . 120 . OS1 parsed_2ku1 1 3 1 1 . . . . . . . . A 106 . HE1 parsed_2ku1 1 3 1 2 . . . . . . . . . 120 . OS1 parsed_2ku1 1 4 1 1 . . . . . . . . A 99 . HE1 parsed_2ku1 1 4 1 2 . . . . . . . . . 172 . OS1 parsed_2ku1 1 5 1 1 . . . . . . . . A 101 . HE1 parsed_2ku1 1 5 1 2 . . . . . . . . . 172 . OS1 parsed_2ku1 1 6 1 1 . . . . . . . . A 106 . HE1 parsed_2ku1 1 6 1 2 . . . . . . . . . 172 . OS1 parsed_2ku1 1 7 1 1 . . . . . . . . A 99 . HE1 parsed_2ku1 1 7 1 2 . . . . . . . . . 195 . OS1 parsed_2ku1 1 8 1 1 . . . . . . . . A 101 . HE1 parsed_2ku1 1 8 1 2 . . . . . . . . . 195 . OS1 parsed_2ku1 1 9 1 1 . . . . . . . . A 106 . HE1 parsed_2ku1 1 9 1 2 . . . . . . . . . 195 . OS1 parsed_2ku1 1 10 1 1 . . . . . . . . A 99 . HE1 parsed_2ku1 1 10 1 2 . . . . . . . . . 207 . OS1 parsed_2ku1 1 11 1 1 . . . . . . . . A 101 . HE1 parsed_2ku1 1 11 1 2 . . . . . . . . . 207 . OS1 parsed_2ku1 1 12 1 1 . . . . . . . . A 106 . HE1 parsed_2ku1 1 12 1 2 . . . . . . . . . 207 . OS1 parsed_2ku1 1 13 1 1 . . . . . . . . A 99 . HE1 parsed_2ku1 1 13 1 2 . . . . . . . . . 215 . OS1 parsed_2ku1 1 14 1 1 . . . . . . . . A 101 . HE1 parsed_2ku1 1 14 1 2 . . . . . . . . . 215 . OS1 parsed_2ku1 1 15 1 1 . . . . . . . . A 106 . HE1 parsed_2ku1 1 15 1 2 . . . . . . . . . 215 . OS1 parsed_2ku1 1 16 1 1 . . . . . . . . A 99 . HE1 parsed_2ku1 1 16 1 2 . . . . . . . . . 243 . OS1 parsed_2ku1 1 17 1 1 . . . . . . . . A 101 . HE1 parsed_2ku1 1 17 1 2 . . . . . . . . . 243 . OS1 parsed_2ku1 1 18 1 1 . . . . . . . . A 106 . HE1 parsed_2ku1 1 18 1 2 . . . . . . . . . 243 . OS1 parsed_2ku1 1 19 1 1 . . . . . . . . G 99 . HE1 parsed_2ku1 1 19 1 2 . . . . . . . . . 120 . OS1 parsed_2ku1 1 20 1 1 . . . . . . . . G 101 . HE1 parsed_2ku1 1 20 1 2 . . . . . . . . . 120 . OS1 parsed_2ku1 1 21 1 1 . . . . . . . . G 106 . HE1 parsed_2ku1 1 21 1 2 . . . . . . . . . 120 . OS1 parsed_2ku1 1 22 1 1 . . . . . . . . G 99 . HE1 parsed_2ku1 1 22 1 2 . . . . . . . . . 172 . OS1 parsed_2ku1 1 23 1 1 . . . . . . . . G 101 . HE1 parsed_2ku1 1 23 1 2 . . . . . . . . . 172 . OS1 parsed_2ku1 1 24 1 1 . . . . . . . . G 106 . HE1 parsed_2ku1 1 24 1 2 . . . . . . . . . 172 . OS1 parsed_2ku1 1 25 1 1 . . . . . . . . G 99 . HE1 parsed_2ku1 1 25 1 2 . . . . . . . . . 195 . OS1 parsed_2ku1 1 26 1 1 . . . . . . . . G 101 . HE1 parsed_2ku1 1 26 1 2 . . . . . . . . . 195 . OS1 parsed_2ku1 1 27 1 1 . . . . . . . . G 106 . HE1 parsed_2ku1 1 27 1 2 . . . . . . . . . 195 . OS1 parsed_2ku1 1 28 1 1 . . . . . . . . G 99 . HE1 parsed_2ku1 1 28 1 2 . . . . . . . . . 207 . OS1 parsed_2ku1 1 29 1 1 . . . . . . . . G 101 . HE1 parsed_2ku1 1 29 1 2 . . . . . . . . . 207 . OS1 parsed_2ku1 1 30 1 1 . . . . . . . . G 106 . HE1 parsed_2ku1 1 30 1 2 . . . . . . . . . 207 . OS1 parsed_2ku1 1 31 1 1 . . . . . . . . G 99 . HE1 parsed_2ku1 1 31 1 2 . . . . . . . . . 215 . OS1 parsed_2ku1 1 32 1 1 . . . . . . . . G 101 . HE1 parsed_2ku1 1 32 1 2 . . . . . . . . . 215 . OS1 parsed_2ku1 1 33 1 1 . . . . . . . . G 106 . HE1 parsed_2ku1 1 33 1 2 . . . . . . . . . 215 . OS1 parsed_2ku1 1 34 1 1 . . . . . . . . G 106 . HE1 parsed_2ku1 1 34 1 2 . . . . . . . . . 243 . OS1 parsed_2ku1 1 35 1 1 . . . . . . . . . 140 . HE1 parsed_2ku1 1 35 1 2 . . . . . . . . . 120 . OS1 parsed_2ku1 1 36 1 1 . . . . . . . . . 140 . HE1 parsed_2ku1 1 36 1 2 . . . . . . . . . 172 . OS1 parsed_2ku1 1 37 1 1 . . . . . . . . . 140 . HE1 parsed_2ku1 1 37 1 2 . . . . . . . . . 195 . OS1 parsed_2ku1 1 38 1 1 . . . . . . . . . 140 . HE1 parsed_2ku1 1 38 1 2 . . . . . . . . . 207 . OS1 parsed_2ku1 1 39 1 1 . . . . . . . . . 140 . HE1 parsed_2ku1 1 39 1 2 . . . . . . . . . 215 . OS1 parsed_2ku1 1 40 1 1 . . . . . . . . . 140 . HE1 parsed_2ku1 1 40 1 2 . . . . . . . . . 243 . OS1 parsed_2ku1 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 . . . . . 24.0 1.8 26.0 parsed_2ku1 1 2 1 . . . . . 23.5 1.8 25.5 parsed_2ku1 1 3 1 . . . . . 20.6 1.8 22.6 parsed_2ku1 1 4 1 . . . . . 20.1 1.8 22.1 parsed_2ku1 1 5 1 . . . . . 20.5 1.8 22.5 parsed_2ku1 1 6 1 . . . . . 18.9 1.8 20.9 parsed_2ku1 1 7 1 . . . . . 17.5 1.8 19.5 parsed_2ku1 1 8 1 . . . . . 18.0 1.8 20.0 parsed_2ku1 1 9 1 . . . . . 17.3 1.8 19.3 parsed_2ku1 1 10 1 . . . . . 21.0 1.8 23.0 parsed_2ku1 1 11 1 . . . . . 21.9 1.8 23.9 parsed_2ku1 1 12 1 . . . . . 20.7 1.8 22.7 parsed_2ku1 1 13 1 . . . . . 17.6 1.8 19.6 parsed_2ku1 1 14 1 . . . . . 18.2 1.8 20.2 parsed_2ku1 1 15 1 . . . . . 17.6 1.8 19.6 parsed_2ku1 1 16 1 . . . . . 23.2 1.8 25.2 parsed_2ku1 1 17 1 . . . . . 23.8 1.8 25.8 parsed_2ku1 1 18 1 . . . . . 21.8 1.8 23.8 parsed_2ku1 1 19 1 . . . . . 19.3 1.8 21.3 parsed_2ku1 1 20 1 . . . . . 19.5 1.8 21.5 parsed_2ku1 1 21 1 . . . . . 19.1 1.8 21.1 parsed_2ku1 1 22 1 . . . . . 31.6 1.8 33.6 parsed_2ku1 1 23 1 . . . . . 31.4 1.8 33.4 parsed_2ku1 1 24 1 . . . . . 28.7 1.8 30.7 parsed_2ku1 1 25 1 . . . . . 31.0 1.8 33.0 parsed_2ku1 1 26 1 . . . . . 29.1 1.8 31.1 parsed_2ku1 1 27 1 . . . . . 27.2 1.8 29.2 parsed_2ku1 1 28 1 . . . . . 33.6 1.8 35.7 parsed_2ku1 1 29 1 . . . . . 32.2 1.8 34.4 parsed_2ku1 1 30 1 . . . . . 29.9 1.8 31.9 parsed_2ku1 1 31 1 . . . . . 31.7 1.8 33.7 parsed_2ku1 1 32 1 . . . . . 29.9 1.8 31.9 parsed_2ku1 1 33 1 . . . . . 28.9 1.8 30.9 parsed_2ku1 1 34 1 . . . . . 35.5 1.8 41.4 parsed_2ku1 1 35 1 . . . . . 22.6 1.8 24.6 parsed_2ku1 1 36 1 . . . . . 16.5 1.8 18.5 parsed_2ku1 1 37 1 . . . . . 18.5 1.8 20.5 parsed_2ku1 1 38 1 . . . . . 16.9 1.8 18.9 parsed_2ku1 1 39 1 . . . . . 21.6 1.8 23.6 parsed_2ku1 1 40 1 . . . . . 15.9 1.8 17.9 parsed_2ku1 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 31.2/1.38 51 76 51 87 parsed_2ku1 1 2 22.8/1.38 52 76 52 87 parsed_2ku1 1 3 25.5/1.38 53 76 53 87 parsed_2ku1 1 4 23.3/1.38 54 76 54 87 parsed_2ku1 1 5 29.8/1.38 55 76 55 87 parsed_2ku1 1 6 22.0/1.38 56 76 56 87 parsed_2ku1 1 stop_ loop_ _Dist_constraint_parse_err.ID _Dist_constraint_parse_err.Content _Dist_constraint_parse_err.Begin_line _Dist_constraint_parse_err.Begin_column _Dist_constraint_parse_err.End_line _Dist_constraint_parse_err.End_column _Dist_constraint_parse_err.Entry_ID _Dist_constraint_parse_err.Distance_constraint_list_ID 1 ; # 2010-02-10 # IN.A.tbl # These are the original restraints extracted from the PRE measurements on 'B' peak. # They represent the 'IN' state of the gate. # In the final PDB the chains go A,B...G, in 1PMA, they go A,C,D..H (B is beta subunit) # Substract 100 from the residue number to get the 1PMA (Lowe et al. 1995). # residue numbering. The OS1 atom does not exist in the submitted structure - it came # from the MTSL spin label, which was removed for the PDB submission ; 1 1 8 68 parsed_2ku1 1 2 ; # OUT.G.tbl # These are the original restraints extracted from the PRE measurements on 'A' peak # They represent the 'OUT' state of the gate. ; 28 1 30 45 parsed_2ku1 1 3 ; # M40.tbl # These are the original restraints extracted from the PRE measurements on 'M40' peak # They were used to restrain the spin label to reasonable configuration ; 47 1 49 71 parsed_2ku1 1 4 ; # amide.tbl # These are the original restraints extracted from the PRE measurements of amide spectra # when TEMPO spin label was attached to position 4 (G4C mutant) # As above, the O2 atom does not exist in the structure - the spin label was removed for # the PDB submission and Gly HA atom added in the place of the removed spin label. # Substract 100 to get the original 1PMA atom numbering. # This data was acquired on the alphaSR WT ; 57 1 63 42 parsed_2ku1 1 stop_ save_
Contact the webmaster for help, if required. Thursday, March 28, 2024 11:55:39 PM GMT (wattos1)