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布达佩斯淀粉样变预测器及其应用。

The Budapest Amyloid Predictor and Its Applications.

机构信息

PIT Bioinformatics Group, Eötvös University, H-1117 Budapest, Hungary.

MTA-ELTE Protein Modeling Research Group, H-1117 Budapest, Hungary.

出版信息

Biomolecules. 2021 Mar 26;11(4):500. doi: 10.3390/biom11040500.

Abstract

The amyloid state of proteins is widely studied with relevance to neurology, biochemistry, and biotechnology. In contrast with nearly amorphous aggregation, the amyloid state has a well-defined structure, consisting of parallel and antiparallel β-sheets in a periodically repeated formation. The understanding of the amyloid state is growing with the development of novel molecular imaging tools, like cryogenic electron microscopy. Sequence-based amyloid predictors were developed, mainly using artificial neural networks (ANNs) as the underlying computational technique. From a good neural-network-based predictor, it is a very difficult task to identify the attributes of the input amino acid sequence, which imply the decision of the network. Here, we present a linear Support Vector Machine (SVM)-based predictor for hexapeptides with correctness higher than 84%, i.e., it is at least as good as the best published ANN-based tools. Unlike artificial neural networks, the decisions of the linear SVMs are much easier to analyze and, from a good predictor, we can infer rich biochemical knowledge. In the Budapest Amyloid Predictor webserver the user needs to input a hexapeptide, and the server outputs a prediction for the input plus the 6 × 19 = 114 distance-1 neighbors of the input hexapeptide.

摘要

蛋白质的淀粉样状态广泛应用于神经学、生物化学和生物技术的研究。与几乎无定形的聚集相比,淀粉样状态具有明确定义的结构,由平行和反平行的β-折叠在周期性重复的形式中组成。随着新型分子成像工具(如低温电子显微镜)的发展,对淀粉样状态的理解也在不断加深。基于序列的淀粉样预测因子主要使用人工神经网络(ANNs)作为基础计算技术进行开发。从一个良好的基于神经网络的预测因子中,很难识别输入氨基酸序列的属性,这意味着网络的决策。在这里,我们提出了一个基于线性支持向量机(SVM)的六肽预测因子,其正确性高于 84%,即,它至少与最好的基于 ANN 的发布工具一样好。与人工神经网络不同,线性 SVM 的决策更容易分析,并且从一个良好的预测因子中,我们可以推断出丰富的生化知识。在布达佩斯淀粉样预测服务器中,用户需要输入一个六肽,服务器会输出对输入肽加上输入肽的 6×19=114 个距离-1 邻位的预测。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2851/8067080/a722a7395942/biomolecules-11-00500-g001.jpg

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