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PMID: 9600893 Published · ppublish English Journal Article Research Support, Non-U.S. Gov't Research Support, U.S. Gov't, Non-P.H.S. Research Support, U.S. Gov't, P.H.S.

Folding funnels and frustration in off-lattice minimalist protein landscapes.

Proceedings of the National Academy of Sciences of the United States of America ·Vol. 95 ·No. 11 ·1998-05-26 ·Pages 5921-8

Nymeyer H, García AE, Onuchic JN

Abstract

A full quantitative understanding of the protein folding problem is now becoming possible with the help of the energy landscape theory and the protein folding funnel concept. Good folding sequences have a landscape that resembles a rough funnel where the energy bias towards the native state is larger than its ruggedness. Such a landscape leads not only to fast folding and stable native conformations but, more importantly, to sequences that are robust to variations in the protein environment and to sequence mutations. In this paper, an off-lattice model of sequences that fold into a beta-barrel native structure is used to describe a framework that can quantitatively distinguish good and bad folders. The two sequences analyzed have the same native structure, but one of them is minimally frustrated whereas the other one exhibits a high degree of frustration.

MeSH Terms
Animals Humans Models, Molecular Models, Theoretical Protein Folding Proteins/chemistry
Chemicals
Proteins
Authors & Affiliations
3 authors, click to expand affiliations / ORCID
Nymeyer H
Department of Physics, University of California at San Diego, La Jolla, California 92093-0319, USA.
García A E
Onuchic J N
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Article Info
Journal
Proceedings of the National Academy of Sciences of the United States of America
Abbr.
Proc Natl Acad Sci U S A
ISSN
0027-8424
DOI
10.1073/pnas.95.11.5921
Published
1998-05-26
Pages
5921-8
Language
English
Region
United States
NLM ID
7505876
PMCID
PMC34496
Subset
IM
Grants
NIGMS NIH HHS · T32 GM008326 · United States
PHS HHS · T32 GN08326 · United States
External Links
PubMed source DOI: 10.1073/pnas.95.11.5921 PMC Full Text View journal details
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