Assessment of CASP7 structure predictions for template free targets

Assessment of CASP7 structure predictions for template free targets
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DOI:
10.1002/prot.21771
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发表时间:
2007-01-01
影响因子:
2.9
通讯作者:
Clarke, Neil D.
Clarke, Neil D.
中科院分区:
生物学4区
文献类型:
--
作者:
Jauch, Ralf;Yeo, Hock Chuan;Clarke, Neil D.

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在CASP7中,在评估时与PDB中的蛋白质缺乏实质性相似性的蛋白质结构预测目标被认为是自由建模目标(FM)。我们评估了对14个FM目标以及其他4个被认为处于FM目标和基于模板的建模目标(TBM/FM)之间的目标的预测。GDT_TS被用作模型质量的一种衡量标准。模型质量也通过目视检查进行了评估。目测检查由三名独立评价员进行,他们对GDT_TS评分和其他模型质量的量化指标视而不见。目测最好的模型往往排在GDT_TS的前几个百分比之列,但通常不是得分最高的模型。因此,目视检查仍然是对调频目标进行评估的一个重要组成部分。总体而言,TS020组(面包师)表现最好,但在个别目标上的成功在许多组中广泛分布。在这些其他组中,TS024和TS025(张和张服务器)在没有特别大的计算资源的情况下表现得非常好。这对今后的履约协助方案来说应该是令人鼓舞的。相对于CASP6,模板FM有一种进步的感觉,但我们无法客观地证明这一进步。
In CASP7, protein structure prediction targets that lacked substantial similarity to a protein in the PDB at the time of assessment were considered to be free modeling targets (FM). We assessed predictions for 14 FM targets as well as four other targets that were deemed to be on the borderline between FM targets and template based modeling targets (TBM/FM). GDT_TS was used as one measure of model quality. Model quality was also assessed by visual inspection. Visual inspection was performed by three independent assessors who were blinded to GDT_TS scores and other quantitative measures of model quality. The best models by visual inspection tended to rank among the top few percent by GDT_TS, but were typically not the highest scoring models. Thus, visual inspection remains an essential component of assessment for FM targets. Overall, group TS020 (Baker) performed best, but success on individual targets was widely distributed among many groups. Among these other groups, TS024 and TS025 (Zhang and Zhang server) performed notably well without exceptionally large computing resources. This should be considered encouraging for future CASPs. There was a sense of progress in template FM relative to CASP6, but we were unable to demonstrate this progress objectively.