Table 1.

Hydrogen Bonds between Substrate Residues at the Binding Loop and DENV3 Protease for the Various Aprotinin Constructs and the Percentage of Time (Yellow, >40%; Red, >60%) the Hydrogen Bonds Existed during the MD Simulations

(Aprotinin)	Protease	WT	NS3	3-4A	2B-3	C	4B-5	NS2A	NS4A
P3 (P13-main)	Y161-side	54.7%	21.7%	13.4%	40.2%		23.1%	33.3%	33.3%
P1 (K15-side)	D129-sides	86.4%	73.1%	86.8%	110.9%	79.8%	73.6%	87.7%	126.6%
P1 (K15-side)	F130-main	71.4%	45.9%	73.5%	37.9%	63.7%	37.2%	62.8%	40.2%
P1 (K15-main)	G133-main	78.5%	66.2%	49.9%	54.3%	61.9%	76.2%	80.2%	45.9%
P2′ (R17-side)	T34-side	54.3%	61.3%