Electron density in the peptide bonds of crambin

摘要: The electron density in the peptide bonds of crambin, a plant-seed hydrophobic globular protein with 46 residues and 642 atoms, is studied both theoretically experimentally. results functional calculations crambin vacuo for deformation its are compared electronic distribution obtained from ultra-high-resolution X-ray crystallography. comparison centered on average peptide-bond map, where experimental clearest. Theory then used to ascertain differences among different chemical environments.