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首页> 美国卫生研究院文献>Nucleic Acids Research >IUPred2A: context-dependent prediction of protein disorder as a function of redox state and protein binding
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IUPred2A: context-dependent prediction of protein disorder as a function of redox state and protein binding

机译：IUPred2A：蛋白质异常作为氧化还原状态和蛋白质结合的函数的上下文相关预测

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摘要

The structural states of proteins include ordered globular domains as well as intrinsically disordered protein regions that exist as highly flexible conformational ensembles in isolation. Various computational tools have been developed to discriminate ordered and disordered segments based on the amino acid sequence. However, properties of IDRs can also depend on various conditions, including binding to globular protein partners or environmental factors, such as redox potential. These cases provide further challenges for the computational characterization of disordered segments. In this work we present IUPred2A, a combined web interface that allows to generate energy estimation based predictions for ordered and disordered residues by IUPred2 and for disordered binding regions by ANCHOR2. The updated web server retains the robustness of the original programs but offers several new features. While only minor bug fixes are implemented for IUPred, the next version of ANCHOR is significantly improved through a new architecture and parameters optimized on novel datasets. In addition, redox-sensitive regions can also be highlighted through a novel experimental feature. The web server offers graphical and text outputs, a RESTful interface, access to software download and extensive help, and can be accessed at a new location: .
机译：蛋白质的结构状态包括有序的球状结构域以及内在无序的蛋白质区域，这些区域以高度灵活的构象集合形式存在。已经开发出各种计算工具以基于氨基酸序列区分有序和无序的区段。但是，IDR的特性也可能取决于各种条件，包括与球状蛋白伴侣或环境因素（例如氧化还原电位）的结合。这些情况为无序段的计算表征提出了进一步的挑战。在这项工作中，我们提出了IUPred2A，这是一个组合的Web界面，它允许针对IUPred2的有序和无序残基以及ANCHOR2的无序结合区生成基于能量估计的预测。更新的Web服务器保留了原始程序的健壮性，但提供了一些新功能。虽然仅针对IUPred实施了一些小错误修复，但通过在新颖的数据集上优化了新的体系结构和参数，显着改善了ANCHOR的下一个版本。此外，还可以通过新颖的实验功能突出显示氧化还原敏感区域。该Web服务器提供图形和文本输出，RESTful界面，对软件下载的访问和广泛的帮助，并且可以在新位置访问：。

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