Table 3. Estimated pK _a value of Glu35 in each conformation using DEPTH and PROPKA .

	DEPTH		PROPKA
Glu35 conformation	Outer	Inner	Outer	Inner
Pressure (MPa)	pK a	pK a	pK a	pK a
0.1	4.25		6.51
190	4.37		6.62
280	4.42		6.63
380	4.36		6.67
500	4.46		6.76
600	4.15		6.80
710	4.25		7.02
800	4.09	6.34	6.84	10.97
890	4.08	6.48	6.73	10.00
950, molecule A	4.45	6.44	7.08	10.06
950, molecule B		6.32		10.19
950, molecule C		6.54		10.58
950, molecule D		7.97		9.76
PDB entry 2lzt	4.34		6.51