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/vol08/torren01/ | © Copyright 2001 | |||
| Volume 08 | Received: Accepted: |
15 Jul 2000 01 Nov 2000 |
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Fractals for hybrid orbitals in protein models
Torrens, F. |
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| Abstract | |
| The structure and shape of the polypeptide chain of proteins are determined by the hybridized states of atomic orbitals in the molecular chain. The calculated s ratio in the spn hybrid orbitals is computed from the fractal dimension D of 81 proteins. The tertiary structures of 8 proteins covering 4 structural classes are analyzed. The proteins in the B-structural class are distinguished quantitatively from other classes. They show a higher s ratio in sp2.10 hybrids, rather similar to planar sp2. Comparison of the proteins with a Gaussian chain is interpreted in terms of steric repulsion. Iron proteins are compared with the SAW model and two classes are distinguished quantitatively: ferric hemeproteins and iron-sulphur proteins. A curious discovery that a protein takes sp0.5 orbitals is reported and discussed. An apparent dependence of fractal hybrid orbitals on ionic strength has been observed. | |
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