Table 1. List of trajectories.

	System	Medium		Length of independent trajectories	Sampling time
1	Bcl-xl+BH3Bak	Implicit water		100ns, 100ns	200 ns
2	Bcl-xl+BH3Bak	Implicit membrane		100ns, 100ns	200 ns
3	Bcl-xl+C-terminal	Implicit water		30ns, 30ns	60ns
4	Uncomplexed Bcl-xl	Implicit water		100 ns, 60ns, 60ns	220 ns
5	Uncomplexed Bcl-xl	Implicit membrane		100ns, 60ns, 60ns	220 ns
6	Uncomplexed BH3Bak	Implicit water		100ns, 60ns, 60ns	220 ns
7	Uncomplexed BH3Bak	Implicit membrane		100ns, 60ns, 60ns	220 ns
8	Uncomplexed full Bak	Implicit membrane		30ns, 30ns	60ns
9	Bcl-xl+full Bak	Implicit membrane	20ns		20ns
10	Complexed/uncomplexed Bcl-xl	Explicit water/membrane	20 different trajectories of 10ns each		200ns (see Table S6 for details)
			Total		~1.6 µs