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The Gumbel pre-factor k for gapped local alignment can be estimated from simulations of global alignment.

机译:间隙局部对准的Gumbel前置因子k可以通过整体对准的模拟来估计。

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摘要

The optimal gapped local alignment score of two random sequences follows a Gumbel distribution. The Gumbel distribution has two parameters, the scale parameter lambda and the pre-factor k. Presently, the basic local alignment search tool (BLAST) programs (BLASTP (BLAST for proteins), PSI-BLAST, etc.) use all time-consuming computer simulations to determine the Gumbel parameters. Because the simulations must be done offline, BLAST users are restricted in their choice of alignment scoring schemes. The ultimate aim of this paper is to speed the simulations, to determine the Gumbel parameters online, and to remove the corresponding restrictions on BLAST users. Simulations for the scale parameter lambda can be as much as five times faster, if they use global instead of local alignment [R. Bundschuh (2002) J. Comput. Biol., 9, 243-260]. Unfortunately, the acceleration does not extend in determining the Gumbel pre-factor k, because k has no known mathematical relationship to global alignment. This paper relates k to global alignment and exploits the relationship to show that for the BLASTP defaults, 10 000 realizations with sequences of average length 140 suffice to estimate both Gumbel parameters lambda and k within the errors required (lambda, 0.8%; k, 10%). For the BLASTP defaults, simulations for both Gumbel parameters now take less than 30 s on a 2.8 GHz Pentium 4 processor.
机译:两个随机序列的最佳缺口局部比对得分遵循Gumbel分布。 Gumbel分布具有两个参数,比例参数lambda和预因子k。当前,基本的局部比对搜索工具(BLAST)程序(BLASTP(用于蛋白质的BLAST),PSI-BLAST等)使用所有耗时的计算机模拟来确定Gumbel参数。由于必须离线进行模拟,因此BLAST用户在选择比对评分方案时受到限制。本文的最终目的是加快仿真速度,在线确定Gumbel参数,并消除对BLAST用户的相应限制。如果使用全局而不是局部对齐,则比例参数lambda的仿真速度可以快五倍。 Bundschuh(2002)J.计算机。 ,第9卷,第243-260页]。不幸的是,在确定Gumbel前置因子k时,加速度没有扩展,因为k与全局对齐没有已知的数学关系。本文将k与全局对齐方式相关联,并利用该关系表明,对于BLASTP默认值,具有平均长度140的序列的10000个实现足以估计所需误差内的Gumbel参数lambda和k(lambda,0.8%; k,10 %)。对于BLASTP默认值,在2.8 GHz Pentium 4处理器上对两个Gumbel参数的仿真现在不到30秒。

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