Gas Phase Formation of a 3_(10)-Helix in a Three-Residue Peptide Chain:Role of Side Chain-Backbone Interactions as Evidenced by IR-UV Double

摘要

Hydrogen bonding enables amino acid residues,the elementary bricks of proteins,to assemble with one another and to build up a large diversity of secondary structures.Its theoretical treatment is therefore a crucial feature for protein simulation.State-of-the-art quantum chemistry methods have recently been used to address the issue of competition between several secondary structures(gamma-and beta-turns,3_(10)and alpha-helices)of peptide chains,i.e.,the competition between the C_7,C_(10),and C_(13)H-bonds,which are responsible for their stability(Figure 1).