DOI: 10.1063/1.2347708. Perturbation theory of Φ-value analysis of two-state protein folding: Relation between pfold and Φ values

Perturbation theory of Φ-value analysis of two-state protein folding: Relation between pfold and Φ values

10.1063/1.2347708

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

In protein folding, the transition state ensemble is defined as the set of conformations with pfold=1∕2, where the pfold of a conformation is the probability that starting from this conformation the protein folds before it unfolds. Experimentally, this ensemble is probed by the Φ-value analysis, where Φ is the ratio of the changes in the logarithms of the folding rate and the equilibrium constant when the system is perturbed by a mutation. We show that for a two-state protein the Φ value can be expressed in terms of the perturbation and only the first two eigenfunctions of the evolution operator (e.g., a rate matrix) of the wild-type protein. The first eigenfunction is the equilibrium probability distribution while the second is proportional to pfold, thus establishing a formal relation between pfold and Φ values. In addition to providing insight into the theoretical foundation of the Φ-value analysis, our results may prove practically useful in performing such analyses within the framework of models containing a large number of states.

Authors 2

Alexander Berezhkovskii (first)
Attila Szabo (additional)

References 23 Referenced 10

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Dates

Type	When
Created	18 years, 11 months ago (Sept. 7, 2006, 6:27 p.m.)
Deposited	2 years, 2 months ago (June 26, 2023, 3:30 a.m.)
Indexed	1 month ago (July 30, 2025, 6:47 a.m.)
Issued	18 years, 11 months ago (Sept. 8, 2006)
Published	18 years, 11 months ago (Sept. 8, 2006)
Published Online	18 years, 11 months ago (Sept. 8, 2006)
Published Print	18 years, 11 months ago (Sept. 14, 2006)

Funders 0

None

BibTeX

@article{Berezhkovskii_2006, title={Perturbation theory of Φ-value analysis of two-state protein folding: Relation between pfold and Φ values}, volume={125}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.2347708}, DOI={10.1063/1.2347708}, number={10}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Berezhkovskii, Alexander and Szabo, Attila}, year={2006}, month=sep }

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