2020 Volume 60 Issue 2 Pages 094-097
Within a thermally fluctuating protein molecule under physiological conditions, tightly packed amino acid residues interact with each other through energy and heat exchanges. We have developed a computer program CURP (CURrent calculation for Proteins), which is suitable for analyzing non-uniform flow of heat and energy in proteins. We illustrate and characterize non-uniform pattern of energy flow in proteins with the energy exchange network (EEN) model based on the transport coefficient of energy flow between each residue pair. EEN diagrams demonstrated characteristic features of “hidden dynamic allostery” in PDZ domain and allosteric transition in the oxygen sensor domain of FixL.
