Fig. 1: Assembly principle for the acetoacetyl-CoA thiolase/HMG-CoA synthase complex (complex 6ESQ).
From: Predicting the structure of large protein complexes using AlphaFold and Monte Carlo tree search
The structure of all interacting chains is predicted by protein sequences from each chain and the interaction network. From these predictions, an assembly path is constructed using the predictions as a guide. In each step, one new chain is added through a network edge resulting in a sequential construction of the complex. The taken path is outlined in red. The complete assembly is shown in overlap with the native complex (grey). The resulting TM-score is 0.93 using subcomponents from AFM (shown) and 0.92 using FoldDock (not shown).
