A Method to Predict Amino Acids at Proximity of Beta-Sheet Axes from Protein Sequences  

作　　者：Antonin Guilloux Bernard Caudron Jean-Luc Jestin 

机构地区：[1]Analyse Algébrique, Institut de Mathématique de Jussieu, Université Pierre et Marie Curie, Paris, France [2]Centre d’Informatique Pour la Biologie, Institut Pasteur, Paris, France [3]Département de Virologie, Institut Pasteur, Paris, France

出　　处：《Applied Mathematics》2014年第1期79-89,共11页应用数学（英文）

摘　　要：A general and elementary protein folding step was described in a previous article. Energy conservation during this folding step yielded an equation with remarkable solutions over the field of rational numbers. Sets of sequences optimized for folding were derived. In this work, a geometrical analysis of protein beta-sheet backbone structures allows the definition of positions of topological interest. They correspond to amino acids’ alpha carbons located on a unique axis crossing all beta-sheet’s strands or at proximity of this axis defined here. These positions of topological interest are shown to be highly correlated with the absence of sequences optimized for folding. Applications in protein structure prediction for the quality assessment of structural models are envisioned.A general and elementary protein folding step was described in a previous article. Energy conservation during this folding step yielded an equation with remarkable solutions over the field of rational numbers. Sets of sequences optimized for folding were derived. In this work, a geometrical analysis of protein beta-sheet backbone structures allows the definition of positions of topological interest. They correspond to amino acids’ alpha carbons located on a unique axis crossing all beta-sheet’s strands or at proximity of this axis defined here. These positions of topological interest are shown to be highly correlated with the absence of sequences optimized for folding. Applications in protein structure prediction for the quality assessment of structural models are envisioned.

关 键 词：POLYPEPTIDE Chain Protein STRUCTURE Topology Beta-Strand FOLDING Amino Acid STRUCTURE Prediction 

分 类 号：R73[医药卫生—肿瘤]