Han Yonghua, Ma Bin, Zhang Kaizhong
Department of Computer Science, University of Western Ontario, London, Canada.
Proc IEEE Comput Syst Bioinform Conf. 2004:206-15. doi: 10.1109/csb.2004.1332434.
For the identification of novel proteins using MS/MS, de novo sequencing software computes one or several possible amino acid sequences (called sequence tags) for each MS/MS spectrum. Those tags are then used to match, accounting amino acid mutations, the sequences in a protein database. If the de novo sequencing gives correct tags, the homologs of the proteins can be identified by this approach and software such as MS-BLAST is available for the matching. However, de novo sequencing very often gives only partially correct tags. The most common error is that a segment of amino acids is replaced by another segment with approximately the same masses. We developed a new efficient algorithm to match sequence tags with errors to database sequences for the purpose of protein and peptide identification. A software package, SPIDER, was developed and made available on Internet for free public use. This paper describes the algorithms and features of the SPIDER software.
对于使用串联质谱(MS/MS)鉴定新型蛋白质,从头测序软件会为每个MS/MS谱计算一个或几个可能的氨基酸序列(称为序列标签)。然后,考虑氨基酸突变,使用这些标签来匹配蛋白质数据库中的序列。如果从头测序给出正确的标签,那么通过这种方法可以鉴定出蛋白质的同源物,并且可以使用诸如MS-BLAST之类的软件进行匹配。然而,从头测序常常只能给出部分正确的标签。最常见的错误是一段氨基酸被另一段质量大致相同的氨基酸所取代。为了鉴定蛋白质和肽段,我们开发了一种新的高效算法,用于将带有错误的序列标签与数据库序列进行匹配。开发了一个软件包SPIDER,并在互联网上免费提供给公众使用。本文描述了SPIDER软件的算法和特点。