초록

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Abstract ▼ AI-Helper

The most popular protein structure prediction method is comparative modeling. To guarantee accurate comparative modeling, the sequence alignment between a query protein and a template should be accurate. Although choosing the best template based on the protein sequence alignments is most critical to...

The most popular protein structure prediction method is comparative modeling. To guarantee accurate comparative modeling, the sequence alignment between a query protein and a template should be accurate. Although choosing the best template based on the protein sequence alignments is most critical to perform more accurate fold-recognition in comparative modeling, even more critical is the sequence alignment quality. Contrast to a lot of attention to developing a method for choosing the best template, prediction of alignment accuracy has not gained much interest. Here, we develop a method for prediction of the shift score, a recently proposed measure for alignment quality. We apply support vector regression (SVR) to predict shift score. The alignment between a query protein and a template protein of length n in our own library is transformed into an input vector of length n +2. Structural alignments are assumed to be the best alignment, and SVR is trained to predict the shift score between structural alignment and profile-profile alignment of a query protein to a template protein. The performance is assessed by Pearson correlation coefficient. The trained SVR predicts shift score with the correlation between observed and predicted shift score of 0.80.