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Statistical properties of contact vectors

A. Kabakcioglu·I. Kanter·M. Vendruscolo·E. Domany
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Abstract

We study the statistical properties of contact vectors, a construct to characterize a protein's structure. The contact vector of an N-residue protein is a list of N integers n_i, representing the number of residues in contact with residue i. We study analytically (at mean-field level) and numerically the amount of structural information contained in a contact vector. Analytical calculations reveal that a large variance in the contact numbers reduces the degeneracy of the mapping between contact vectors and structures. Exact enumeration for lengths up to N=16 on the three dimensional cubic lattice indicates that the growth rate of number of contact vectors as a function of N is only 3% less than that for contact maps. In particular, for compact structures we present numerical evidence that, practically, each contact vector corresponds to only a handful of structures. We discuss how this information can be used for better structure prediction.

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A. Kabakcioglu, I. Kanter, M. Vendruscolo, E. Domany. 2001-09-04. Statistical properties of contact vectors. https://doi.org/10.1103/physreve.65.041904

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