I have a set of outputs conformation from rosetta after hotspot placement. It's a docking of antigen and antibody. So, how should i evaluate the results? I filtered out the top100 lowest ddG, but, when proceeding to SASA, shape complementarity score and number of hydrogen bond, the results varied. Some having more H-bond with lower Sc score ( around 0.3-0.4). Some with no H-bond but better Sc score.
A: -31 ddG, 3 H-bond, 2641 SASA, 0.565 Sc
B: -29 ddG, 0 H-bond, 2050 SASA, 0.610 Sc
C: -20 ddG, 5 H-bond, 2039 SASA, 0.323 Sc
How can I determine which one is a better docking conformation?