Only 142 sequences were available in the MSA due to its novelty. The work we reported in the main text utilized full MSA depth which used all the sequences available. The resulting structure had a small RMSD distribution (mostly < 4 Å) (Figure ), and all structures were kept. For comparison, the structure RMSD of the 1.8 ms long reference MD was shown in Figure where most of the distribution has a RMSD < 4.5 Å. The CVs were chosen as the top 200 pairwise distances between all C α atoms. Regular space clustering was done in this space with a 2.5 Å distance threshold and 21 cluster centers were identified.