计算机科学
二面角
序列(生物学)
人工智能
数据挖掘
算法
模式识别(心理学)
卷积神经网络
化学
分子
生物化学
氢键
有机化学
作者
Michael Schantz Klausen,Martin Closter Jespersen,Henrik Nielsen,Kamilla Kjærgaard Jensen,Vanessa Jurtz,Casper Kaae Sønderby,Morten Otto Alexander Sommer,Ole Winther,Morten Nielsen,Bent Petersen,Paolo Marcatili
出处
期刊:Proteins
[Wiley]
日期:2019-03-09
卷期号:87 (6): 520-527
被引量:461
摘要
Abstract The ability to predict local structural features of a protein from the primary sequence is of paramount importance for unraveling its function in absence of experimental structural information. Two main factors affect the utility of potential prediction tools: their accuracy must enable extraction of reliable structural information on the proteins of interest, and their runtime must be low to keep pace with sequencing data being generated at a constantly increasing speed. Here, we present NetSurfP‐2.0, a novel tool that can predict the most important local structural features with unprecedented accuracy and runtime. NetSurfP‐2.0 is sequence‐based and uses an architecture composed of convolutional and long short‐term memory neural networks trained on solved protein structures. Using a single integrated model, NetSurfP‐2.0 predicts solvent accessibility, secondary structure, structural disorder, and backbone dihedral angles for each residue of the input sequences. We assessed the accuracy of NetSurfP‐2.0 on several independent test datasets and found it to consistently produce state‐of‐the‐art predictions for each of its output features. We observe a correlation of 80% between predictions and experimental data for solvent accessibility, and a precision of 85% on secondary structure 3‐class predictions. In addition to improved accuracy, the processing time has been optimized to allow predicting more than 1000 proteins in less than 2 hours, and complete proteomes in less than 1 day.
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