The tr322 model was initially optimized in three ways gromacs repacking sidechains (except PRO and CYS) by rosetta gromacs + repacking sidechains (except PRO and CYS) by rosetta The four tr322 models were evaluated with undertaker and tr322.gromacs0.repack-nonPC.pdb was chosen for further optimization. The model was superimposed on 2fs2A and 2fs2B to make a dimer and all subsequent optimizations were done in the dimer context. Refinement consisted of rounds of optimization with undertaker (with slightly different cost functions each time) optimization with gromacs repacking of sidechains (except PRO and CYS) by rosetta Refinement model 1 is try14-opt2, the best-scoring model with most of the undertaker cost functions used. It has the smallest chain breaks. Refinement model 2 is try9-opt2.unpack.gromacs0.repack-nonPC, the model that rosetta likes best of all the ones it repacked. Refinement model 2 is try13-opt2, the model that scores best with some undertaker cost functions, and second best with most. It has the densest local packing. Refinement model 4 is try13-opt2.unpack.gromacs0.repack-nonPC, the model that rosetta likes second best of all the ones it repacked. Refinement model 5 is try8-opt2, an earlier version of model 2. Although many of the undertaker runs started with multiple initial model and allowed crossover, the following history traces the main contributions to the models. try14-opt2 < try13-opt2.unpack.gromacs0 try13-opt2 < try12-opt2 < try11-opt2.unpack.gromacs0 try11-opt2 < try10-opt2 < try7-opt2.unpack.gromacs0 try9-opt2 < try8-opt2.unpack.gromacs0 try8-opt2 < try7-opt2.unpack.gromacs0.repack-nonPC try7-opt2 < try6-opt2.unpack.gromacs0 try6-opt2 < try5-opt2 < dimer-tr322-2fs2A