Evaluation of 3D-Jury on CASP7 models.

Evaluation of 3D-Jury on CASP7 models.
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DOI:
10.1186/1471-2105-8-304
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发表时间:
2007-08-21
期刊:
影响因子:
3
通讯作者:
Rychlewski, Leszek
Rychlewski, Leszek
中科院分区:
生物学4区
文献类型:
--
作者:
Kajan, Laszlo;Rychlewski, Leszek

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3D-Jury是Meta Server中公开提供的结构预测共识方法,使用第7轮蛋白质结构预测技术关键评估(CASP 7)中收集的模型进行评估。3D-Jury是一个自动化的专家过程,从合作伙伴服务器获得的模型集生成蛋白质结构元预测。从三个方面分析了3D-Jury的性能。首先,我们检查了3D-Jury评分与模型质量度量之间的相关性:正确预测的残基数量。3D-Jury评分显示与正确预测的残基的数量显著相关,相关性足以用于预测。在大多数情况下,3D-Jury也被发现可以改善竞争服务器对最佳结构模型的选择。还检查了3D-Jury评分作为通用可靠性指标的价值。我们发现,3D-Jury评分在27种情况下比原始服务器的可靠性评分更好地区分坏模型和好模型,在总共38种情况下,只有5种情况下福尔斯低于原始服务器的可靠性评分。我们报告了一个新的Meta Server功能:即时3D评审团评分上传的用户模型。3D-Jury评分仍然是结构模型质量的良好指标。它还提供了一个通用的可靠性得分,对于原始服务器没有分配的模型尤其重要。个体结构建模者也可以通过在Meta Server中提供的新的即时评分功能中测试他们的模型来从3D-Jury评分系统中受益。
3D-Jury, the structure prediction consensus method publicly available in the Meta Server , was evaluated using models gathered in the 7th round of the Critical Assessment of Techniques for Protein Structure Prediction (CASP7). 3D-Jury is an automated expert process that generates protein structure meta-predictions from sets of models obtained from partner servers. The performance of 3D-Jury was analysed for three aspects. First, we examined the correlation between the 3D-Jury score and a model quality measure: the number of correctly predicted residues. The 3D-Jury score was shown to correlate significantly with the number of correctly predicted residues, the correlation is good enough to be used for prediction. 3D-Jury was also found to improve upon the competing servers' choice of the best structure model in most cases. The value of the 3D-Jury score as a generic reliability measure was also examined. We found that the 3D-Jury score separates bad models from good models better than the reliability score of the original server in 27 cases and falls short of it in only 5 cases out of a total of 38. We report the release of a new Meta Server feature: instant 3D-Jury scoring of uploaded user models. The 3D-Jury score continues to be a good indicator of structural model quality. It also provides a generic reliability score, especially important for models that were not assigned such by the original server. Individual structure modellers can also benefit from the 3D-Jury scoring system by testing their models in the new instant scoring feature available in the Meta Server.