Table 5.

Average distance between D51 and the S205 (subunit II)

Simulation system	Distance, Å	Simulation system	Distance, Å
C1-I	4.6 ± 1.2	C2-I (replica 1/2)	9.6 ± 3.2/6.0 ± 1.8
C1-II	3.5 ± 0.2	C2-II (replica 1/2)	4.4 ± 1.1/5.3 ± 1.7
C1-III	3.6 ± 0.2	C2-III	5.2 ± 1.6
C1-IV	3.6 ± 0.2	C2-IV	9.1 ± 3.5
C1-V	3.5 ± 0.2	C2-V	4.9 ± 1.3
C1-VI	3.5 ± 0.1	C2-VI	6.1 ± 1.6
		C2-VII (replica 1/2)	7.4 ± 1.8/9.1 ± 2.3
		C2-VIII (replica 1/2)	6.6 ± 2.0/3.9 ± 0.8

Distance is calculated between the Cγ atom of Asp51 and Oγ atom of Ser205.