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Molecules 2002, 7(1), 26-37; doi:10.3390/70100026
Article

Fractal Hybrid Orbitals Analysis of the Tertiary Structure of Protein Molecules

Received: 9 November 2001 / Revised: 28 November 2001 / Accepted: 28 November 2001 / Published: 31 January 2002
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Abstract

The structure and shape of the polypeptide chains of proteins are determined by the hybridized states of the atomic orbitals in the molecular chain. The calculated s ratio in the spn hybrid orbitals is computed from the fractal dimension D of the tertiary structures of 43 proteins selected to cover the five structural classes of protein molecules. A brief introduction to fractal theory is given in the text. It is demonstrated that the principles dictating the folding of the local and global backbone structures are well characterized in terms of the representation given by fractal theory. Comparison of the fractal character of protein molecules with that of the ideal Gaussian chain revealed several features of these principles. It is also shown that proteins in the β type structural class are distinguished quantitatively from those in other classes with this representation. They show a higher s ratio (0.32) in sp2.20 hybrids, rather similar to planar sp2. Comparison of the proteins with a Gaussian chain is interpreted in terms of steric repulsion.
Keywords: Fractal hybrid orbital; fractal dimension; fractal theory; protein conformation; structural class Fractal hybrid orbital; fractal dimension; fractal theory; protein conformation; structural class
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Torrens, F. Fractal Hybrid Orbitals Analysis of the Tertiary Structure of Protein Molecules. Molecules 2002, 7, 26-37.

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