An ab initio exploratory study of side chain conformations for selected backbone conformations of N-acetyl-L-glutamine-N-methylamide

Abstract

The backbone potential energy surface (PES) (Ramachandran map) of N-acetyl-L-glutamine-N-methylamide has been studied at a,a side-chain orientation. Side-chain PESs at selected backbone conformations (γL and βL) were also studied. Side-chain-backbone interactions were analyzed in terms of energy and geometry.