Recognition of protein complexation based on hydrophobicity distribution |
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Authors: | Mateusz Banach Irena Roterman |
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Institution: | 1.Department of Bioinformatics and Telemedicine, Collegium Medium ‐ Jagiellonian University, Lazarza 16, 31-530 Krakow, Poland;2.Faculty of Physics, Astronomy and Applied Computer Science ‐ Jagiellonian University, Reymonta 4, 30-059 Krakow, Poland |
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Abstract: | The identification of the surface area able to generate the protein-protein complexation ligand and ion ligation is critical for the recognition
of the biological function of particular proteins. The technique based on the analysis of the irregularity of hydrophobicity distribution is used
as the criterion for the recognition of the interaction regions. Particularly, the exposure of hydrophobic residues on the surface of protein as
well as the localization of the hydrophilic residues in the hydrophobic core is treated as potential area ready to interact with external
molecules. The model based on the “fuzzy oil drop” approach treating the protein molecule as the drop of hydrophobicity concentrated in
the central part of structure with the hydrophobicity close to zero on the surface according to 3-dimensional Gauss function. The comparison
with the observed hydrophobicy in particular protein reveals some irregularities. These irregularities seem to represent the aim-oriented
localization. |
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Keywords: | hydrophobicity distribution protein complexation fuzzy-oil-drop model |
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