Selected heterodimeric sequences.

Chain A and chain B sequences for selected heterodimer designs, their total energies, and binding energies, in REUs. The first six designs were selected based on the total energy of the heterodimer (−298 REU) and that both homodimer binding energies were destabilized relative to the heterodimer binding energy by 10 REU, the last three designs originated from the “fitness2” fitness function, and though they generally had smaller binding energy gaps between the heterodimer and the homodimers, their heterodimer total energies were generally better than designs produced by the first fitness function. The models for these designs output by multistate design and those output by docking are included in the Supporting Information File S2.