出典:Wikipedia
出典:『Wikipedia』 (2010/10/26 13:21 UTC 版)
A protein contact map represents the distance between all possible residue pairs of a three-dimensional protein structure using a binary two-dimensional matrix. For two residues i and j, the ij element of the matrix is 1 if the two residues are closer than a predetermined threshold, and 0 otherwise. Various contact definitions have been proposed: The distance between the Cα-Cα atom with threshold 6-12 Å; distance between Cβ-Cβ atoms with threshold 6-12 Å (Cα is used for Glycine); distance between the side-chain centers of mass; distance between the Van der Waals radius of selected atoms; or consideration of any atom and lower threshold 4.5-6 Å.