Yu Yi-Kuo, Altschul Stephen F
National Center for Biotechnology Information, National Library of Medicine, National Institutes of Health Bethesda, MD 20894, USA.
Bioinformatics. 2005 Apr 1;21(7):902-11. doi: 10.1093/bioinformatics/bti070. Epub 2004 Oct 27.
Amino acid substitution matrices play a central role in protein alignment methods. Standard log-odds matrices, such as those of the PAM and BLOSUM series, are constructed from large sets of protein alignments having implicit background amino acid frequencies. However, these matrices frequently are used to compare proteins with markedly different amino acid compositions, such as transmembrane proteins or proteins from organisms with strongly biased nucleotide compositions. It has been argued elsewhere that standard matrices are not ideal for such comparisons and, furthermore, a rationale has been presented for transforming a standard matrix for use in a non-standard compositional context.
This paper presents the mathematical details underlying the compositional adjustment of amino acid or DNA substitution matrices.
氨基酸替换矩阵在蛋白质比对方法中起着核心作用。标准对数似然矩阵,如PAM和BLOSUM系列矩阵,是根据大量具有隐含背景氨基酸频率的蛋白质比对构建的。然而,这些矩阵经常被用于比较氨基酸组成明显不同的蛋白质,如跨膜蛋白或来自核苷酸组成有强烈偏差的生物体的蛋白质。其他地方有人认为标准矩阵对于此类比较并不理想,此外,还提出了一种将标准矩阵转换用于非标准组成背景的基本原理。
本文给出了氨基酸或DNA替换矩阵组成调整背后的数学细节。