RT Journal Article
T1 Why Do Protein Folding Rates Correlate with Metrics ofNative Topology?
A1 Faísca, Patrícia F.N.
A1 Travasso, Rui D. M.
A1 Parisi, Andrea
A1 Rey Gayo, Antonio
AB For almost 15 years, the experimental correlation between protein folding rates and the contact order parameter has been under scrutiny. Here, we use a simple simulation model combined with a native-centric interaction potential to investigate the physical roots of this empirical observation. We simulate a large set of circular permutants, thus eliminating dependencies of the folding rate on other protein properties (e.g. stability). We show that the rate-contact order correlation is a consequence of the fact that, in high contact order structures, the contact order of the transition state ensemble closely mirrors the contact order of the native state. This happens because, in these structures, the native topology is representedin the transition state through the formation of a network of tertiary interactions that are distinctively long-ranged.
PB Public Library of Science
SN 1932-6203
YR 2012
FD 2012-04-27
LK https://hdl.handle.net/20.500.14352/42591
UL https://hdl.handle.net/20.500.14352/42591
LA eng
NO Ministerio de Ciencia e Innovación (MICINN)
NO Fundação para a Ciência e a Tecnologia (FCT), Portugal
DS Docta Complutense
RD 17 abr 2025