DOI: 10.1073/pnas.041611998. Solvent effects on the energy landscapes and folding kinetics of polyalanine

Solvent effects on the energy landscapes and folding kinetics of polyalanine

10.1073/pnas.041611998

Crossref journal-article

Proceedings of the National Academy of Sciences

Proceedings of the National Academy of Sciences (341)

Abstract

The effect of a solvation on the thermodynamics and kinetics of polyalanine (Ala 12 ) is explored on the basis of its energy landscapes in vacuum and in an aqueous solution. Both energy landscapes are characterized by two basins, one associated with α-helical structures and the other with coil and β-structures of the peptide. In both environments, the basin that corresponds to the α-helical structure is considerably narrower than the basin corresponding to the β-state, reflecting their different contributions to the entropy of the peptide. In vacuum, the α-helical state of Ala 12 constitutes the native state, in agreement with common helical propensity scales, whereas in the aqueous medium, the α-helical state is destabilized, and the β-state becomes the native state. Thus solvation has a dramatic effect on the energy landscape of this peptide, resulting in an inverted stability of the two states. Different folding and unfolding time scales for Ala 12 in hydrophilic and hydrophobic chemical environments are caused by the higher entropy of the native state in water relative to vacuum. The concept of a helical propensity has to be extended to incorporate environmental solvent effects.

Bibliography

Levy, Y., Jortner, J., & Becker, O. M. (2001). Solvent effects on the energy landscapes and folding kinetics of polyalanine. Proceedings of the National Academy of Sciences, 98(5), 2188â2193.

Authors 3

Yaakov Levy (first)
Joshua Jortner (additional)
Oren M. Becker (additional)

References 49 Referenced 138

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Dates

Type	When
Created	23 years, 1 month ago (July 26, 2002, 10:45 a.m.)
Deposited	3 years, 4 months ago (April 12, 2022, 12:38 p.m.)
Indexed	1 year ago (Aug. 12, 2024, 7:13 a.m.)
Issued	24 years, 6 months ago (Feb. 20, 2001)
Published	24 years, 6 months ago (Feb. 20, 2001)
Published Online	24 years, 6 months ago (Feb. 20, 2001)
Published Print	24 years, 6 months ago (Feb. 27, 2001)

Funders 0

None

BibTeX

@article{Levy_2001, title={Solvent effects on the energy landscapes and folding kinetics of polyalanine}, volume={98}, ISSN={1091-6490}, url={http://dx.doi.org/10.1073/pnas.041611998}, DOI={10.1073/pnas.041611998}, number={5}, journal={Proceedings of the National Academy of Sciences}, publisher={Proceedings of the National Academy of Sciences}, author={Levy, Yaakov and Jortner, Joshua and Becker, Oren M.}, year={2001}, month=feb, pages={2188–2193} }

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