. 2003 Oct;12(10):2161–2172. doi: 10.1110/ps.03137003

Table 1.

Solvent-accesible surface area (SASA)

Parameter		X-ray	RF	P3M
Total surface	[A²]	4865.2	4947.4	5113.2
Polar surface	[A²]	2996.1	3028.7	3244.1
	[%]	61.6	61.1	63.4
Nonpolar surface	[A²]	1869.2	1918.7	1869.1
	[%]	38.4	39.0	36.6

Polar (O and N atoms), nonpolar (C atoms) and total (polar plus nonpolar) accessible area calculated as the sum of area for the corresponding atoms and its percentage. X-ray, crystallographic structure; RF and P3M, averaged values during the RF or P3M simulations (interval 500–2000 psec).