Table 1.

Systems studied by molecular dynamics simulations

Simulation	Labels used to identify the simulations
	A	B	C	D	E	F	G	H	I	J	K	L
Tat	1	2	4	4	4	4	4	4	5	6	7	10
Water	3,552	7,104	14,208	3,552	3,552	3,552	8,795	18,597	18,597	18,597	18,597	14,208
Lipid	72	144	288	72	72	72	92	195	195	195	195	288
Temperature, K	323	323	323	323	323	343	363	323	323	323	323	323
Time, ns	200	80	80	200	200	200	400	80	80	180	80	50
Near	1	2	3	3	3	3	2	4	5	5	6	9
Distal	0	0	1	0	0	0	0	0	0	0	0	1

The table includes the following rows under the heading “Simulation” (in order from top to bottom): the number of Tat peptides, the number of water molecules, the number of lipids, the temperature, and the simulation time. The last two rows list the number of peptides in the proximal and distal layers, respectively. The number of translocating peptides is not listed in either of the last two rows.