Moult John, Fidelis Krzysztof, Kryshtafovych Andriy, Schwede Torsten, Tramontano Anna
Institute for Bioscience and Biotechnology Research and Department of Cell Biology and Molecular Genetics, University of Maryland, 9600 Gudelsky Drive, Rockville, Maryland, 20850.
Genome Center, University of California, Davis, 451 Health Sciences Drive, Davis, California, 95616.
Proteins. 2018 Mar;86 Suppl 1(Suppl 1):7-15. doi: 10.1002/prot.25415. Epub 2017 Dec 15.
This article reports the outcome of the 12th round of Critical Assessment of Structure Prediction (CASP12), held in 2016. CASP is a community experiment to determine the state of the art in modeling protein structure from amino acid sequence. Participants are provided sequence information and in turn provide protein structure models and related information. Analysis of the submitted structures by independent assessors provides a comprehensive picture of the capabilities of current methods, and allows progress to be identified. This was again an exciting round of CASP, with significant advances in 4 areas: (i) The use of new methods for predicting three-dimensional contacts led to a two-fold improvement in contact accuracy. (ii) As a consequence, model accuracy for proteins where no template was available improved dramatically. (iii) Models based on a structural template showed overall improvement in accuracy. (iv) Methods for estimating the accuracy of a model continued to improve. CASP continued to develop new areas: (i) Assessing methods for building quaternary structure models, including an expansion of the collaboration between CASP and CAPRI. (ii) Modeling with the aid of experimental data was extended to include SAXS data, as well as again using chemical cross-linking information. (iii) A team of assessors evaluated the suitability of models for a range of applications, including mutation interpretation, analysis of ligand binding properties, and identification of interfaces. This article describes the experiment and summarizes the results. The rest of this special issue of PROTEINS contains papers describing CASP12 results and assessments in more detail.
本文报道了2016年举行的第12轮蛋白质结构预测关键评估（CASP12）的结果。CASP是一项旨在确定从氨基酸序列预测蛋白质结构的当前技术水平的社区实验。参与者会收到序列信息，然后提供蛋白质结构模型及相关信息。由独立评估人员对提交的结构进行分析，可全面了解当前方法的能力，并确定进展情况。这又是令人激动的一轮CASP，在四个领域取得了重大进展：（i）使用新方法预测三维接触导致接触准确性提高了两倍。（ii）因此，对于没有可用模板的蛋白质，模型准确性有了显著提高。（iii）基于结构模板的模型在准确性上总体有所提高。（iv）估计模型准确性的方法持续改进。CASP继续开拓新领域：（i）评估构建四级结构模型的方法，包括扩大CASP与CAPRI之间的合作。（ii）借助实验数据进行建模扩展到包括小角X射线散射（SAXS）数据，以及再次使用化学交联信息。（iii）一组评估人员评估了模型对于一系列应用的适用性，包括突变解读、配体结合特性分析以及界面识别。本文描述了该实验并总结了结果。本期《蛋白质》特刊的其余部分包含更详细描述CASP12结果和评估的论文。
