M. Prabhakaran, A NEW SPATIAL REPRESENTATION OF AMINO-ACID-RESIDUES IN GLOBULAR-PROTEINS, Journal of biomolecular structure & dynamics, 14(5), 1997, pp. 561-566
For the globular proteins with known three-dimensional structures, an
ellipsoid model of each protein was constructed with least volume and
its dimensions were derived. The spatial arrangements were made for th
e C-alpha and side chain atoms of that protein within that ellipsoid.
This new spatial representation shows the residue position from the ce
ntroid, as well as the depth from the surface. The average spatial par
ameters were then calculated. The correlations between these new spati
al parameters and the existing parameters of the amino acid residues w
ere then derived.