Computer prediction of paratope on antithrombotic antibody 10B12 and epitope on platelet glycoprotein VI via molecular dynamics simulation

Table 4 The stable H-bonds with HBSI values >0.3

Rank	Bond no.^a	HBSI	Interaction residue pairs
Rank	Bond no.^a	HBSI	GPVI	10B12
1	2	0.89	LYS41	GLU102
2	1	0.85	ARG46	ASP98
3	6	0.69	ARG46	ASP111
4	9	0.68	ARG46	ASP98
5	3	0.63	ARG38	GLU1
6	4	0.58	TYR47	GLU1
7	12	0.48	ARG38	GLU1
8	13	0.47	ARG46	GLU102
9	14	0.46	SER44	GLU102
10	11	0.45	SER44	GLU102
11	5	0.36	ARG166	GLU102
12	8	0.34	LYS59	ASP107
13	10	0.34	LYS59	ASP108
14	18	0.34	ARG46	ASP98
15	7	0.33	ARG166	GLU102

ISSN: 1475-925X