Table 2.

The condition of molecular dynamics simulation

	WT no ECC		WT		L176Q		L176G		L176N		L176A
Sodium ion (mM)	100	100	100	100	100	100	100	100	100	100	100	100
Calcium ion (mM)	–	40	–	40	–	40	–	40	–	40	–	40
Calculation time (μsec)	1.2	1.2	1.2	2.0	1.2	2.4	1.2	1.6	1.2	1.6	1.2	3.2
Sodium ions	25	25	25	25	25	25	25	25	25	25	25	25
Calcium ions	–	10	–	10	–	10	–	10	–	10	–	10
Chloride ions	13	33	9	29	9	29	9	29	9	29	9	29
Water molecules	13684	13684	13684	13684	13684	13684	13684	13684	13684	13684	13684	13684
Number of lipids	210	210	210	210	210	210	210	210	210	210	210	210
No. of sodium ion permeation per 100 nsec	10.29	1.54	11.38	10.53	12.17	6.81	11.71	5.23	13.29	6.19	9.88	3.98
Standard deviation of permeation	1.062	0.48	0.84	1.63	2.85	2.56	2.79	2.53	1.46	0.71	1.33	1.67
No. of calcium ion permeation per 100 nsec	–	0.08	–	1.28	–	0.69	–	1.20	–	1.56	–	0.66
Standard deviation of permeation	–	0.12	–	0.69	–	0.16	–	0.61	–	0.60	–	0.34