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对CASP7模型的3D评审评估

Evaluation of 3D-Jury on CASP7 models.

作者信息

Kaján László, Rychlewski Leszek

机构信息

BioInfoBank Institute, ul, Limanowskiego 24 A, 60-744 Poznań, Poland.

出版信息

BMC Bioinformatics. 2007 Aug 21;8:304. doi: 10.1186/1471-2105-8-304.

DOI:10.1186/1471-2105-8-304
PMID:17711571
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2040163/
Abstract

BACKGROUND

3D-Jury, the structure prediction consensus method publicly available in the Meta Server http://meta.bioinfo.pl/, 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.

RESULTS

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.

CONCLUSION

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 http://meta.bioinfo.pl/compare_your_model_example.pl available in the Meta Server.

摘要

背景

3D-Jury是一种可在Meta服务器http://meta.bioinfo.pl/上公开获取的结构预测共识方法,我们使用在第7轮蛋白质结构预测技术关键评估(CASP7)中收集的模型对其进行了评估。3D-Jury是一个自动化专家流程,可从合作伙伴服务器获得的模型集中生成蛋白质结构元预测。

结果

从三个方面分析了3D-Jury的性能。首先,我们检查了3D-Jury分数与模型质量度量之间的相关性:正确预测残基的数量。结果表明,3D-Jury分数与正确预测残基的数量显著相关,这种相关性足以用于预测。在大多数情况下,还发现3D-Jury在最佳结构模型的选择上优于竞争服务器。我们还检查了3D-Jury分数作为通用可靠性度量的价值。我们发现,在总共38个案例中,3D-Jury分数在27个案例中比原始服务器的可靠性分数能更好地区分坏模型和好模型,只有5个案例不如原始服务器。我们报告了Meta服务器的一项新功能发布:对上传的用户模型进行即时3D-Jury评分。

结论

3D-Jury分数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分数,这对于原始服务器未给出此类评分的模型尤为重要。个体结构建模者也可以通过在Meta服务器新的即时评分功能http://meta.bioinfo.pl/compare_your_model_example.pl中测试他们的模型,从3D-Jury评分系统中受益。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d030/2040163/94d3c7caaaea/1471-2105-8-304-2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d030/2040163/a98b734c52a5/1471-2105-8-304-1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d030/2040163/94d3c7caaaea/1471-2105-8-304-2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d030/2040163/a98b734c52a5/1471-2105-8-304-1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d030/2040163/94d3c7caaaea/1471-2105-8-304-2.jpg

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