Comparative modeling
The outline of multimeric comparative modeling pipeline is provided in Supplementary Figure S1. Starting with target sequences, we first searched for potential templates using PPI3D18 and HHpred19, 20 web servers. If this step failed to identify reliable templates, we additionally employed structure-based searches. In this case, selected monomeric CASP server models corresponding to the subunits of a target protein complex were used as queries for PDB searches using the DALI server21. The aim was to identify multimeric PDB assemblies that could potentially serve as multimeric templates. Once templates were identified using either sequence- or structure-based searches, structural models for the whole protein complex were generated by MODELLER22 and its plugin AltMod23 using the multi-chain modeling function.