PMID: 3755478Apr 20, 1986Paper

Interactions between two beta-sheets. Energetics of beta/beta packing in proteins

Journal of Molecular Biology
K C ChouH A Scheraga

Abstract

The analysis of the interactions between regularly folded segments of the polypeptide chain contributes to an understanding of the energetics of protein folding. Conformational energy-minimization calculations have been carried out to determine the favorable ways of packing two right-twisted beta-sheets. The packing of two five-stranded beta-sheets was investigated, with the strands having the composition CH3CO-(L-Ile)6-NHCH3 in one beta-sheet and CH3CO-(L-Val)6-NHCH3 in the other. Two distinct classes of low-energy packing arrangements were found. In the class with lowest energies, the strands of the two beta-sheets are aligned nearly parallel (or antiparallel) with each other, with a preference for a negative orientation angle, because this arrangement corresponds to the best complementary packing of the two twisted saddle-shaped beta-sheets. In the second class, with higher interaction energies, the strands of the two beta-sheets are oriented nearly perpendicular to each other. While the surfaces of the two beta-sheets are not complementary in this arrangement, there is good packing between the corner of one beta-sheet and the interior part of the surface of the other, resulting in a favorable energy of packing. Both classes...Continue Reading

References

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Citations

Mar 27, 2002·Journal of Computational Chemistry·Harold A ScheragaYelena A Arnautova
Jun 1, 1992·Protein Science : a Publication of the Protein Society·K C ChouM W Schulz
Aug 1, 1997·Protein Science : a Publication of the Protein Society·A Su, S L Mayo
Aug 1, 1988·Journal of Protein Chemistry·T KikuchiH A Scheraga
Jun 1, 1996·Bioorganic & Medicinal Chemistry·C L Nesloney, J W Kelly
Dec 17, 2011·PloS One·Svend B HenriksenSteffen B Petersen
Jan 24, 2016·Journal of Theoretical Biology·James LyonsAlok Sharma
Jul 13, 2011·Journal of Theoretical Biology·Lei ZhangTao Zhang
Nov 7, 2014·Journal of Biomolecular Structure & Dynamics·Qi-Shi DuKuo-Chen Chou
Feb 18, 2011·Journal of Bioinformatics and Computational Biology·Kanaka Durga KedarisettiLukasz Kurgan
Apr 28, 2006·Journal of Cellular Biochemistry·Kuo-Chen Chou, Hong-Bin Shen
Jul 24, 2010·Journal of Computational Chemistry·Dongsheng ZouYuxian Xia
Feb 1, 1988·Journal of Biomolecular Structure & Dynamics·B Gopalakrishnan, M Bansal
May 25, 2010·Journal of Theoretical Biology·Brian R Ginn

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