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The recently proposed close-packed motif for collagen is investigated usingfirst principles semi-empirical wave function theory and Kohn-Sham densityfunctional theory. Under these refinements the close-packed motif is shown tobe stable. For the case of the 7/2 motif a similar stability exists. Theelectronic circular dichroism of the close-packed model has a significantnegative bias and a large signal. An interesting feature of the close-packedstructure is the existence of a central channel. Simulations show that, ifhydrogen atoms are placed in the cavity, a chain of molecular hydrogens isformed suggesting a possible biological function for molecular hydrogen.

First principles structures and circular dichroism spectra for the close-packed and the 7/2 motif of collagen