Research Collaboratory for Structural Bioinformatics Protein Data Bank, San Diego Supercomputer Center, University of California, La Jolla, California.
European Molecular Biology Laboratory, European Bioinformatics Institute, Wellcome Genome Campus, Cambridge, UK.
Proteins. 2019 Dec;87(12):1190-1199. doi: 10.1002/prot.25795. Epub 2019 Aug 27.
We present the assembly category assessment in the 13th edition of the CASP community-wide experiment. For the second time, protein assemblies constitute an independent assessment category. Compared to the last edition we see a clear uptake in participation, more oligomeric targets released, and consistent, albeit modest, improvement of the predictions quality. Looking at the tertiary structure predictions, we observe that ignoring the oligomeric state of the targets hinders modeling success. We also note that some contact prediction groups successfully predicted homomeric interfacial contacts, though it appears that these predictions were not used for assembly modeling. Homology modeling with sizeable human intervention appears to form the basis of the assembly prediction techniques in this round of CASP. Future developments should see more integrated approaches where subunits are modeled in the context of the assemblies they form.
我们在第 13 届 CASP 社区范围内实验中展示了组装类别评估。这是蛋白质组装体第二次成为独立的评估类别。与上一届相比，我们看到参与度明显提高，释放了更多的寡聚靶标，并且预测质量持续但适度地提高。从三级结构预测来看，我们观察到忽略靶标的寡聚状态会阻碍建模成功。我们还注意到，一些接触预测组成功地预测了同源界面接触，尽管这些预测似乎并未用于组装建模。具有大量人工干预的同源建模似乎构成了本轮 CASP 组装预测技术的基础。未来的发展应该会看到更多的集成方法，其中亚基是在它们形成的组装体的背景下进行建模的。
