Fig. 5.

The individual cases in which our method failed to generate the correct output. The plot (a) shows the relations between distance cutoff and association probabilities for these two systems. They are: cytokine Interleukin-13 (IL-13) in complex with its receptor IL-13 Receptor α2 (IL-13Rα2) (b), and an engineered outer domain of envelope glycoprotein GP120 from human immunodeficiency virus 1 in complex with a VRC01-class broadly neutralizing antibodies (c). The corresponding structures of two binding partners in the complexes are indexed in red and green, while the flexible regions that undergo large conformational fluctuations are highlighted in gray. Their PDB identities and experimentally measured association rates are also listed in the bottom