Wolf H, Modrow S, Motz M, Jameson B A, Hermann G, Förtsch B
Max von Pettenkofer Institute, Munich, FRG.
Comput Appl Biosci. 1988 Mar;4(1):187-91. doi: 10.1093/bioinformatics/4.1.187.
During the last years abundant sequence data has become available due to the rapid progress in protein and DNA sequencing techniques. The exact three-dimensional structures, however, are available only for a fraction of proteins with known sequences. For many purposes the primary amino acid sequence of a protein can be directly used to predict important structural parameters. However, mathematical presentation of the calculated values often makes interpretation difficult, especially if many proteins must be analysed and compared. Here we introduce a broad-based, user-defined analysis of amino acid sequence information. The program package is based on published algorithms and is designed to access standard protein data bases, calculate hydropathy, surface probability and flexibility values and perform secondary structure predictions. The data output is in an 'easy-to-read' graphic format and several parameters can be superimposed within a single plot in order to simplify data interpretations. Additionally, this package includes a novel algorithm for the prediction of potential antigenic sites. Thus the software package presented here offers a powerful means of analysing an amino acid sequence for the purpose of structure/function studies as well as antigenic site analyses. These algorithms were written to function in context with the UWGCG (University of Wisconsin Genetics Computer Group) program collection, and are now distributed within that package.
在过去几年中，由于蛋白质和DNA测序技术的迅速发展，大量的序列数据已变得可用。然而，精确的三维结构仅适用于一小部分已知序列的蛋白质。对于许多目的而言，蛋白质的一级氨基酸序列可直接用于预测重要的结构参数。然而，计算值的数学呈现常常使解释变得困难，特别是当必须分析和比较许多蛋白质时。在此，我们引入了一种基于广泛的、用户定义的氨基酸序列信息分析方法。该程序包基于已发表的算法，旨在访问标准蛋白质数据库，计算亲水性、表面概率和柔韧性值，并进行二级结构预测。数据输出采用“易于阅读”的图形格式，几个参数可叠加在单个图中，以简化数据解释。此外，该程序包还包括一种预测潜在抗原位点的新算法。因此，这里介绍的软件包为结构/功能研究以及抗原位点分析提供了一种强大的氨基酸序列分析手段。这些算法编写为与UWGCG（威斯康星大学遗传学计算机组）程序集协同运行，现在已在该程序包中发布。
