Free docking
When no templates could be found for protein complexes, free docking of top 5 selected monomeric CASP server models was done by Hex26 for hetero-complexes and Sam27for homomultimers (Supplementary Figure S2). The resulting models were ranked using global and interaction interface VoroMQA scores as described below. Next, top 100-500 models were relaxed by a very short molecular dynamics simulation using OpenMM software28, Amber99SB force field and GBSA-OBC solvation model29, 30. The relaxed models were subsequently re-ranked using the same scoring procedure and clustered according to the interface CAD-score31, 32 values aiming to select a diverse set of models.