TABLE 2

The hydrogen bonds of PLY with VBS based on the MD simulations

AcceptorDonorPresenceDistance
%nm
Glu277 > OVBS O-H76.30.24 ± 0.1
Asn470 = OVBS O-H81.60.31 ± 0.3
VBS > OAsn470 N-H77.10.28 ± 0.2
VBS > O85.60.33 ± 0.5
Asp471 = OVBS O-H72.90.34 ± 0.3