School of Informatics, University of Edinburgh, Edinburgh EH8 9AB, UK.
School of Biological Sciences, University of Edinburgh, Edinburgh EH9 3FF, UK.
Protein Eng Des Sel. 2021 Feb 15;34. doi: 10.1093/protein/gzab029.
De novo protein design is a rapidly growing field, and there are now many interesting and useful examples of designed proteins in the literature. However, most designs could be classed as failures when characterised in the lab, usually as a result of low expression, misfolding, aggregation or lack of function. This high attrition rate makes protein design unreliable and costly. It is possible that some of these failures could be caught earlier in the design process if it were quick and easy to generate information and a set of high-quality metrics regarding designs, which could be used to make reproducible and data-driven decisions about which designs to characterise experimentally. We present DE-STRESS (DEsigned STRucture Evaluation ServiceS), a web application for evaluating structural models of designed and engineered proteins. DE-STRESS has been designed to be simple, intuitive to use and responsive. It provides a wealth of information regarding designs, as well as tools to help contextualise the results and formally describe the properties that a design requires to be fit for purpose.
从头设计蛋白质是一个快速发展的领域，现在文献中有许多有趣且有用的设计蛋白质的例子。然而，大多数设计在实验室中被描述为失败，通常是由于低表达、错误折叠、聚集或缺乏功能。这种高损耗率使得蛋白质设计不可靠且昂贵。如果能够快速轻松地生成有关设计的信息和一组高质量指标，并将其用于对要进行实验表征的设计做出可重复且基于数据的决策，那么在设计过程中就有可能更早地发现其中的一些失败。我们介绍了 DE-STRESS（设计结构评估服务），这是一个用于评估设计和工程化蛋白质的结构模型的 Web 应用程序。DE-STRESS 的设计简单、易于使用且响应迅速。它提供了有关设计的大量信息，以及帮助理解结果和正式描述设计所需属性的工具，以便设计能够满足特定目的。
