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. Author manuscript; available in PMC: 2021 May 14.
Published in final edited form as: J Chem Theory Comput. 2021 Apr 7;17(5):3134–3144. doi: 10.1021/acs.jctc.0c01220

Table 1:

Amino acid clusters determined from hierarchical clustering of MOFF contact energy.

Cluster Amino Acids
Cluster 1 (red) MET
Cluster 2 (brown) ARG
Cluster 3 (green) PRO ASN ASP GLY
Cluster 4 (orange) HIS PHE LYS SER ALA VAL LEU THR TYR
Cluster 5 (cyan) GLN GLU
Cluster 6 (blue) ILE TRP CYS