Institut de Biotecnologia i de Biomedicina and Departament de Bioquímica i Biologia Molecular, Universitat Autònoma de Barcelona, Bellaterra (Barcelona) 08193, Spain.
Bioinformatics. 2021 Jul 12;37(11):1602-1603. doi: 10.1093/bioinformatics/btaa909.
Polypeptides are exposed to changing environmental conditions that modulate their intrinsic aggregation propensities. Intrinsically disordered proteins (IDPs) constitutively expose their aggregation determinants to the solvent, thus being especially sensitive to its fluctuations. However, solvent conditions are often disregarded in computational aggregation predictors. We recently developed a phenomenological model to predict IDPs' solubility as a function of the solution pH, which is based on the assumption that both protein lipophilicity and charge depend on this parameter. The model anticipated solubility changes in different IDPs accurately. In this application note, we present SolupHred, a web-based interface that implements the aforementioned theoretical framework into a predictive tool able to compute IDPs aggregation propensities as a function of pH. SolupHred is the first dedicated software for the prediction of pH-dependent protein aggregation.
The SolupHred web server is freely available for academic users at: https://ppmclab.pythonanywhere.com/SolupHred. It is platform-independent and does not require previous registration.
Supplementary data are available at Bioinformatics online.
多肽会暴露在不断变化的环境条件下,这些条件会调节它们固有的聚集倾向。固有无序蛋白质(IDP)会不断地将其聚集决定因素暴露在溶剂中,因此对溶剂的波动特别敏感。然而,在计算聚集预测器中,溶剂条件通常被忽略。我们最近开发了一种经验模型,该模型可以根据溶液 pH 值预测 IDP 的溶解度,其假设是蛋白质的疏水性和电荷都取决于这个参数。该模型准确地预测了不同 IDP 的溶解度变化。在本应用说明中,我们介绍了 SolupHred,这是一个基于上述理论框架的网络界面,实现为一个预测工具,能够根据 pH 值计算 IDP 的聚集倾向。SolupHred 是第一个专门用于预测 pH 依赖性蛋白质聚集的软件。
SolupHred 网络服务器可供学术用户免费使用,网址为:https://ppmclab.pythonanywhere.com/SolupHred。它与平台无关,不需要预先注册。
补充数据可在 Bioinformatics 在线获取。