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Phi values in protein-folding kinetics have energetic and structural components.


ABSTRACT: Phi values are experimental measures of how the kinetics of protein folding is changed by single-site mutations. Phi values measure energetic quantities, but they are often interpreted in terms of the structures of the transition-state ensemble. Here, we describe a simple analytical model of the folding kinetics in terms of the formation of protein substructures. The model shows that Phi values have both structural and energetic components. It also provides a natural and general interpretation of "nonclassical" Phi values (i.e., < 0 or > 1). The model reproduces the Phi values for 20 single-residue mutations in the alpha-helix of the protein CI2, including several nonclassical Phi values, in good agreement with experiments.

SUBMITTER: Merlo C 

PROVIDER: S-EPMC1177393 | biostudies-literature | 2005 Jul

REPOSITORIES: biostudies-literature

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Phi values in protein-folding kinetics have energetic and structural components.

Merlo Claudia C   Dill Ken A KA   Weikl Thomas R TR  

Proceedings of the National Academy of Sciences of the United States of America 20050711 29


Phi values are experimental measures of how the kinetics of protein folding is changed by single-site mutations. Phi values measure energetic quantities, but they are often interpreted in terms of the structures of the transition-state ensemble. Here, we describe a simple analytical model of the folding kinetics in terms of the formation of protein substructures. The model shows that Phi values have both structural and energetic components. It also provides a natural and general interpretation o  ...[more]

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