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Tta calculations and symmetric docking calculations starting from the CS-Rosetta monomers do not show convergence, indicating an interleaved dimer interface. The fold-and-dock protocol, supplemented by 45 RDCs, converges to a 2.5 ?structure, which shows the correct interleaved backbone topology (Supporting Information Figure 1). Very similar results were obtained for the structural genomics target
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Tta calculations and symmetric docking calculations starting from the CS-Rosetta monomers do not show convergence, indicating an interleaved dimer interface. The fold-and-dock protocol, supplemented by 45 RDCs, converges to a 2.5 ?structure, which shows the correct interleaved backbone topology (Supporting Information Figure 1). Very similar results were obtained for the structural genomics target
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