Modeling of Biomolecular Systems Interactions, Dynamics, and Allostery: Bridging Experiments and Computations - September 10-14, 2014, Istanbul, Turkey

Modeling of Biomolecular Systems Interactions, Dynamics, and Allostery Poster Session I

1-POS Board 1 Estimation of Protein Secondary Structure from FTIR Spectra Using Wavelet Analysis and Neural Networks Sherif Abbas 1,3 , Parvez Haris 2 , Feride Severcan 1 , Mete Severcan 1 . 1 Middle East Technical University, Ankara, Turkey, 2 De Montfort University, Leicester, United Kingdom, 3 Ain Shams University, Cairo, Egypt. In order to improve the accuracy to predict protein secondary structure from Fourier transform infrared (FTIR) spectra, a novel method for extraction of Protein FTIR features using wavelet transform analysis was developed. Recording of proteins FTIR spectra was performed in aqueous solution using spectrum using BRUKER Vectra 200 FT-IR Spectrometer. The protein spectra preprocessd using Matlab and OPUS 5.5 software. Amide I region (1700 - 1600 cm-1) is utilized and its wavelet analysis has been done in order to do the secondary structure analysis of proteins from FTIR spectra . The secondary stucture of this proteins has been calculated also from thier x-ray crystal structure using PDBsum bioinformatics tool. This calculated structure has been used as atarget for our Artificial Neural Network (ANN). These results indicate that the methodology introduced is effective and estimation accuracies are in some cases better than those previously reported in the literature.

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