5. Overview of expulsion trajectories

Table1 List of all expulsion trajectories in P450BM-3 and P450cam for which animations are shown. The pathway location, the pathway classification and the REMD parameters are given. For definition of r_min, N and k, cf. Methods.

protein	traj #	pw #	r_min/	N	k/	expulsion	traj.
+						route	length/
ligand					(kJ/mol $\cdot$ nm)	(residue #)	ps

P450BM-3
PAM	1	2a	0.008	40	1000	B' helix, F/G	10

P450cam
CAM	2	1	0.004	~20	1000	C and H helices	30
- `` -	3	2a	0.002	10	800	F/G loop,	20
						B' helix (via 87)
- `` -	4	2a	0.016	80	600	- `` - (via 29, 193)	50
- `` -	5	2b	0.005	10	1000	B/B' loop, $\beta_1$ , $\beta_3$	60
- `` -	6	2c	0.008	40	700	B', I and G helices	10
						(via 98, 201)
- `` -	7	3	0.001	10	800	E/F loop	50
CAL	8	2a	0.008	40	700	F/G loop,	70
						B' helix (via 193)