Molecular modeling of TC2-3 and EBC5-16.

<p>(<b>A</b>) The graph shows the interhelical interaction energy of the amino acids in the EBC5-16 homodimer CHI model discussed in the text. The sequence used for the modeling is shown at the bottom. (<b>B</b>) Axial views of helical backbone of the CHI models. First panel shows the view from N-terminus with Val14 side-chain shown in stick figure. Second panel shows view from N-terminus with Gly11 and Gly15 shown as space-filling. The right two panels show the view from C-terminus of EBC5-16 and TC2-3, with Phe29 side-chain shown in stick figure. (<b>C</b>) Left panel: Models of the TC2-3 and EBC5-16 homodimers predicted by CHI simulation, shown in lateral ribbon view with interface residues predicted by the Put3 experiments in red and Val14 in blue. Right panel: Zoomed-in view of an EBC5-16 monomer showing intramolecular H-bonding of the Ser25 side-chain to the backbone carbonyl group of Ile21, represented by the dotted yellow line. Oxygen atoms are shown in pink, hydrogen atoms are shown in white.