Summary of the residue types of the hot and warm spots in the PD-1/PD-L1 interaction predicted by the MM/GBSA/IE method.

Protein	Nonpolar	Polar	Basic	Acidic
Hot spots
PD-1	PD-1I134	PD-1Q75	PD-1K78	PD-1E84
	PD-1I126	PD-1Y68
	PD-1L128	PD-1N66
PD-L1	PD-L1M115	PD-L1Y123	PD-L1R125
		PD-L1Y56	PD-L1R113
		PD-L1Q66
Warm spots
PD-1	PD-L1I54		PD-1K131
PD-L1			PD-L1K124