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Using PconsC4 and PconsFold2 to Predict Protein Structure

机译:使用PCONSC4和PCONSFOLD2预测蛋白质结构

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In spite of the fact that there has been a significant increase in the number of solved protein structures, structural information is missing for many proteins. Although structural information is codified in the amino acid sequence, computational prediction using only this information is still an unsolved problem. However, one successful method to model a protein's structure starting from the primary sequence is to use contact prediction derived from multiple sequence alignment (MSA). Here we use ourcontact predictor PconsC4 to generate a list of probable contacts between residues in the primary sequences. These contacts are then used together with the secondary structure prediction as constraints for the CONFOLD folding method. In this way, a 3D protein model can be built starting directly from the primary sequence.
机译:尽管有了溶解的蛋白质结构的数量显着增加,但许多蛋白质缺少结构信息。 尽管在氨基酸序列中编写结构信息,但仅使用该信息的计算预测仍然是一个未解决的问题。 然而,从主要序列开始模拟蛋白质结构的一种成功方法是使用源自多序列对准(MSA)的触点预测。 在这里,我们使用我们的Contact Predictor PCONSC4来生成主序列中的残留物之间的可能触点列表。 然后将这些触点与二次结构预测一起使用,作为对困难折叠方法的约束。 以这种方式,可以直接从主要序列开始建造3D蛋白质模型。

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