pIPredict: a computer tool for predicting isoelectric points of peptides and proteins

Biomedit︠s︡inskai︠a︡ khimii︠a︡
V S SkvortsovI V Romero Reyes

Abstract

The data on approximate values of isoelectric point (pI) of peptides obtained during their fractionation by isoelectric focusing can be successfully used for the calculation of the pKa's scale for amino acid residues. This scale can be used for pI prediction. The data of peptide fractionation also provides information about various posttranslational modifications (PTM), so that the prediction of pI may be performed for a wide range of protein forms. In this study, pKa values were calculated using a set of 13448 peptides (including 300 peptides with PTMs significant for pI calculation). The pKa constants were calculated for N-terminal, internal and C-terminal amino acid residues separately. The comparative analysis has shown that our scale increases the accuracy of pI prediction for peptides and proteins and successfully competes with traditional scales and such methods as support vector machines and artificial neural networks. The prediction performed by this scale, can be made in our program pIPredict with GUI written in JAVA as executable jar-archive. The program is freely available for academic users at http://www.ibmc.msk.ru/LPCIT/pIPredict. The software has also the possibility of pI predicting by some other scales; it rec...Continue Reading

References

Jun 16, 2004·Cellular and Molecular Life Sciences : CMLS·C GiglioneT Meinnel
Nov 6, 2010·Nucleic Acids Research·Philip WongUlrich Güldener

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Citations

Dec 31, 2015·Biomedit︠s︡inskai︠a︡ khimii︠a︡·V S SkvortsovO V Tikhonova
May 31, 2020·International Journal of Molecular Sciences·Olga KiselevaEkaterina Poverennaya
Aug 7, 2017·Biomedit︠s︡inskai︠a︡ khimii︠a︡·V S SkvortsovA V Rybina
Apr 28, 2021·Nucleic Acids Research·Lukasz Pawel Kozlowski

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