Assessing the Ability of Spectroscopic Methods to Determine the Difference in the Folding Propensities of Highly Similar β-Hairpins.

ABSTRACT: We have evaluated the ability of nuclear magnetic resonance (NMR) and circular dichroism (CD) spectroscopies to describe the difference in the folding propensities of two structurally highly similar cyclic β-hairpins, comparing the outcome to that of molecular dynamics simulations. NAMFIS-type NMR ensemble analysis and CD spectroscopy were observed to accurately describe the consequence of altering a single interaction site, whereas a single-site ¹³C NMR chemical shift melting curve-based technique was not.

SUBMITTER: Andersson H 

PROVIDER: S-EPMC5331454 | biostudies-literature | 2017 Feb

REPOSITORIES: biostudies-literature