Assessment of template-based protein structure predictions in CASP10.

Assessment of template-based protein structure predictions in CASP10.
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DOI:
10.1002/prot.24488
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发表时间:
2014-02
影响因子:
2.9
通讯作者:
Montelione, Gaetano T.
Montelione, Gaetano T.
中科院分区:
生物学4区
文献类型:
--
作者:
Huang, Yuanpeng J.;Mao, Binchen;Aramini, James M.;Montelione, Gaetano T.

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基于模板的建模(TBM)是蛋白质结构预测关键评估(CASP)的主要组成部分。在CASP 10中,由150个预测组提交的约41,740个预测模型被评估为TBM预测。通过与实验X射线晶体和NMR结构的几何比较,使用包括全局对齐度量和基于距离矩阵的度量的综合得分来评估蛋白质结构预测的准确性。这些包括GDT-HA和GDC-all全局比对评分,以及基于重叠独立LDDT距离矩阵的评分。此外,与先前描述的用于比较蛋白质模型与实验NMR数据的RPF度量类似的独立于叠加的RPF度量用于比较预测的蛋白质结构模型与实验蛋白质结构。为了在所有这四个指标上取得好成绩,模型必须对主链和侧链构象进行准确的预测。性能排名是独立确定的服务器和合并的服务器加人工策划的预测组。最后的排名是使用成对的头对头学生的t检验分析的原始指标得分在每个类别的前25名执行组。
Template Based Modeling (TBM) is a major component of the Critical Assessment of Protein Structure Prediction (CASP). In CASP10, some 41,740 predicted models submitted by 150 predictor groups were assessed as TBM predictions. The accuracy of protein structure prediction was assessed by geometric comparison with experimental X-ray crystal and NMR structures using a composite score that included both global alignment metrics and distance-matrix based metrics. These included GDT-HA and GDC-all global alignment scores, and the superimposition-independent LDDT distance-matrix based score. In addition, a superimposition-independent RPF metric, similar to that described previously for comparing protein models against experimental NMR data, was used for comparing predicted protein structure models against experimental protein structures. In order to score well on all four of these metrics, models must feature accurate predictions of both backbone and side-chain conformations. Performance rankings were determined independently for server and the combined server plus human-curated predictor groups. Final rankings were made using pair-wise head-to-head Student’s t-test analysis of raw metric scores among the top 25 performing groups in each category.
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