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PredIDR:使用深度卷积神经网络准确预测蛋白质内在无序区域。

PredIDR: Accurate prediction of protein intrinsic disorder regions using deep convolutional neural network.

作者信息

Han Kun-Sop, Song Se-Ryong, Pak Myong-Hyon, Kim Chol-Song, Ri Chol-Pyok, Del Conte Alessio, Piovesan Damiano

机构信息

University of Sciences, Pyongyang, Democratic People's Republic of Korea.

Branch of Biotechnology, State Academy of Sciences, Pyongyang, Democratic People's Republic of Korea.

出版信息

Int J Biol Macromol. 2025 Jan;284(Pt 1):137665. doi: 10.1016/j.ijbiomac.2024.137665. Epub 2024 Nov 19.

Abstract

The involvement of protein intrinsic disorder in essential biological processes, it is well known in structural biology. However, experimental methods for detecting intrinsic structural disorder and directly measuring highly dynamic behavior of protein structure are limited. To address this issue, several computational methods to predict intrinsic disorder from protein sequences were developed and their performance is evaluated by the Critical Assessment of protein Intrinsic Disorder (CAID). In this paper, we describe a new computational method, PredIDR, which provides accurate prediction of intrinsically disordered regions in proteins, mimicking experimental X-ray missing residues. Indeed, missing residues in Protein Data Bank (PDB) were used as positive examples to train a deep convolutional neural network which produces two types of output for short and long regions. PredIDR took part in the second round of CAID and was as accurate as the top state-of-the-art IDR prediction methods. PredIDR can be freely used through the CAID Prediction Portal available at https://caid.idpcentral.org/portal or downloaded as a Singularity container from https://biocomputingup.it/shared/caid-predictors/.

摘要

蛋白质内在无序在基本生物学过程中的参与,在结构生物学中是众所周知的。然而,用于检测内在结构无序和直接测量蛋白质结构高度动态行为的实验方法是有限的。为了解决这个问题,开发了几种从蛋白质序列预测内在无序的计算方法,并通过蛋白质内在无序关键评估(CAID)对其性能进行评估。在本文中,我们描述了一种新的计算方法PredIDR,它能够准确预测蛋白质中内在无序区域,类似于实验性X射线缺失残基的情况。实际上,蛋白质数据库(PDB)中的缺失残基被用作正例来训练一个深度卷积神经网络,该网络针对短区域和长区域产生两种类型的输出。PredIDR参加了第二轮CAID,其准确性与顶级的最先进的IDR预测方法相当。可以通过https://caid.idpcentral.org/portal上的CAID预测门户免费使用PredIDR,或者从https://biocomputingup.it/shared/caid-predictors/作为Singularity容器下载。

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