Information accumulation in helical oligopeptide structures

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• 作者：Bela Viskolcz ; Szilard N. Fejer ; Svend J. Knak Jensen ; Andras Perczel ; Imre G. Csizmadia
• 关键词：Genetic algorithm ; Steepest descent method ; Chaotic systems ; Neural network
• 刊名：Chemical Physics Letters
• 出版年：2007
• 出版时间：14 December 2007
• 年：2007
• 卷：450
• 期：1-3
• 页码：123-126
• 全文大小：256 K

文摘

If structural information is viewed in terms of entropy of the molecule, the folded and misfolded structures of a wild-type protein and its mutant contain different amounts of information. Here we present the strong side chain-dependence of the internal entropy of folding, and consequently of the relative information content for the simplest oligopeptides. It is found that during a conformational change from extended to 3₁₀-helical structure, the (Gly)₁₀ oligomer accumulates 10⁶ more information than the (Ala)₁₀ oligomer. It is argued that the difference in information accumulation is related to chirality. The role of Ala → Gly point mutation is also examined.