Fig. 3.

Example structure prediction results from simulations using topology and secondary structure information derived from the experimentally determined structure. (Upper) PDB ID code 1J4N, aquaporin water channel AQP1 subdomain. (Lower) PDB ID code 1IWG, multidrug efux transporter subdomain. The experimental structures are shown on the left, and the simulated structures are shown in the middle. For these two structures, color is used to indicate the amino acid index along the chain. At right, a CE structural alignment of the experimental and simulated structures is shown, with the experimental structure in tan and the simulated structure in blue.