TABLE 1.

Details of the system compositions and simulation lengths for different systems

	System identifier	Protein	Peptide	Simulation length
1	ACE2_wt	—	Truncated α1 helix of ACE2 (21 to 45)	$3\times 1\mathrm{\mu S}$
2	ACE2_mutant	—	ACE2_wt with F28K, F32E, A36K, and F40E mutations	$3\times 1\mathrm{\mu S}$
3	ACE2_al‐al	—	ACE2_wt with two i‐i + 4 aliphatic staples between residue pairs 28, 32 and 36, 40	$3\times 1\mathrm{\mu S}$
4	ACE2_la‐la	—	ACE2_wt with two i‐i + 4 lactam staples between residue pairs 28, 32 and 36, 40	$3\times 1\mathrm{\mu S}$
5	ACE2_al‐la	—	ACE2_wt with one i‐i + 4 aliphatic staples between residue pairs 28, 32 and one lactam staple between residue pairs 36, 40	$3\times 1\mathrm{\mu S}$
6	ACE2_la‐al	—	ACE2_wt with one i‐i + 4 lactam staples between residue pairs 28, 32 and one aliphatic staple between residue pairs 36, 40	$3\times 1\mathrm{\mu S}$
7	RBD	SARS‐Cov‐2 Receptor Binding domain (Residues 333 to 526)	—	$3\times 1\mathrm{\mu S}$
8	RBD + ACE2_wt	RBD	ACE2_wt	$3\times 1\mathrm{\mu S}$
9	RBD + ACE2_mutant	RBD	ACE2_mutant	$3\times 1\mathrm{\mu S}$
10	RBD + ACE2_al‐al	RBD	ACE2_al‐al	$3\times 1\mathrm{\mu S}$
11	RBD + ACE2_la‐la	RBD	ACE2_la‐la	$3\times 1\mathrm{\mu S}$
12	RBD + ACE2_al‐la	RBD	ACE2_al‐la	$3\times 1\mathrm{\mu S}$
13	RBD + ACE2_la‐al	RBD	ACE2_la‐al	$3\times 1\mathrm{\mu S}$
				$39\mathit{\mu S}$