Table 2.

The A24-peptide complexes in the presence and absence of both kinds of glycosylation and TCR subjected to MD simulations (in triplicate).

Protein	Peptide	TCR	Number of Waters	Total Number of Atoms	Simulation Time (μs)
A24	HIV	−	14,130	48,538	0.5 * 3 = 1.5
A24	p161	−	14,746	50,364	0.5 * 3 = 1.5
A24	Galp161	−	14,742	50,379	0.5 * 3 = 1.5
A24	Glcp161	−	14,736	50,361	0.5 * 3 = 1.5
A24	HIV	TCR	64,105	205,288	1.0 * 3 = 3.0
A24	p161	TCR	64,673	206,970	1.0 * 3 = 3.0
A24	Galp161	TCR	64,705	207,093	1.0 * 3 = 3.0
A24	Glcp161	TCR	64,675	207,003	1.0 * 3 = 3.0