NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type |
37422 | 1pjf | 5877 | cing | 2-parsed | STAR | comment |
data_1pjf_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_1pjf _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_1pjf 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_1pjf _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 1pjf "Master copy" parsed_1pjf stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_1pjf _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 1pjf.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1pjf 1 1 1pjf.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_1pjf 1 1 1pjf.mr . . unknown 3 unknown "Not applicable" "Not applicable" 0 parsed_1pjf 1 1 1pjf.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1pjf 1 stop_ save_ save_MR_file_comment_2 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID parsed_1pjf _Org_constr_file_comment.ID 1 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 2 _Org_constr_file_comment.Details "Generated by Wattos" _Org_constr_file_comment.Comment ; Thiriot, D.S. and Opella, S.J. et al. Summary of constraints used in the calculation of structure 1PJF.pdb For 200 structures calculated: Backbone mean RMSD of family to average structure = 1.056 angstroms For the best 25 structures as assessed by statistical ramachandran potential from pdb structures: Backbone mean RMSD of family to average structure = 0.876 angstroms The monomer structure in 1PJF was selected from the 25 best as the family member with the structure nearest to the average structure. In 1PJF, this is model 1, without sidechains, and is the only backbone conformer represented. All other models are rotations and translations of model 1 to construct a virion model. Structure calculation used the following values. 15N chemical shift tensor: sigma11 64 +/- 7 ppm (all except glycine) sigma22 77 +/- 7 ppm sigma33 222 +/- 7 ppm 15N chemical shift tensor: sigma11 41 +/- 7 ppm (glycine) sigma22 64 +/- 7 ppm sigma33 215 +/- 7 ppm Chemical shift referencing was to external solid powdered 15N ammonium sulfate, defined as 26.8 ppm Bond angles (degrees): gamma 18.5 (angle between the N-H bond and sigma33 axis of 15N chemical shift tensor) HNCa 118.2 NCoCa 115.6 HNCo 119.5 NCaCo 110.5 CaCoO 121.1 NCoO 123.2 Bond lengths (angstroms): CaCo 1.52 CoN 1.33 NCa 1.46 NH 1.07 CoO 1.23 ; save_
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