论文标题

TALI:使用骨架扭转角对齐蛋白质结构对齐

TALI: Protein Structure Alignment Using Backbone Torsion Angles

论文作者

Miao, Xijiang, Bryson, Michael G., Valafar, Homayoun

论文摘要

本文介绍了一种基于蛋白质骨架扭转角而不是更传统的距离矩阵的新型蛋白质结构比对方法(命名为tali)。由于两种蛋白质的结构比对是基于两个数字序列(骨干扭转角)的比较,因此我们可以利用大量发达的方法,例如史密斯 - 水手或Needleman-Wunsch。在这里,我们报告了与其他结构比对方法相比,Tali的结果,例如DALI,CE和SSM ASS,以及基于PSI-Blast的序列对齐。塔利(Tali)在适用于挑战蛋白的所有其他方法上都取得了巨大的成功。塔利(Tali)在识别远程结构同源性方面更为成功。塔利还证明了能够鉴定两个蛋白质之间的结构同源性,其中结构差异是由于内部域旋转近180美元$^\ circ $引起的。

This article introduces a novel protein structure alignment method (named TALI) based on the protein backbone torsion angle instead of the more traditional distance matrix. Because the structural alignment of the two proteins is based on the comparison of two sequences of numbers (backbone torsion angles), we can take advantage of a large number of well-developed methods such as Smith-Waterman or Needleman-Wunsch. Here we report the result of TALI in comparison to other structure alignment methods such as DALI, CE, and SSM ass well as sequence alignment based on PSI-BLAST. TALI demonstrated great success over all other methods in application to challenging proteins. TALI was more successful in recognizing remote structural homology. TALI also demonstrated an ability to identify structural homology between two proteins where the structural difference was due to a rotation of internal domains by nearly 180$^\circ$.

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