Helix and H-bond formations of alanine-based peptides containing basic amino acids

Balázs Leitgeb, Gábor Janzsó, Liza Hudoba, Botond Penke, Gábor Rákhely, Ferenc Bogár

Research output: Contribution to journalArticle

4 Citations (Scopus)

Abstract

We studied comprehensively the helicity and H-bonding evolutions during the folding processes of Lysand Arg-containing alanine-based peptides. The evolution of a-helical conformation concerning the entire sequence and each amino acid residue was examined, as well as the helix-forming propensities were characterized. The formation of various types of the intramolecular H-bonds was also investigated, pointing out the helix-stabilizing role of local interactions and the destabilizing role of non-local interplays. Our study led to the observation that the nonlocal H-bonds affected the evolution of helical conformations, as well as the entire folding processes.

Original languageEnglish
Pages (from-to)1287-1295
Number of pages9
JournalStructural Chemistry
Volume22
Issue number6
DOIs
Publication statusPublished - Dec 1 2011

Keywords

  • Alanine-based peptide
  • Folding
  • Helical conformation
  • Intramolecular H-bond
  • Molecular dynamics

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Physical and Theoretical Chemistry

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