. 2007 Jul 11;5(20):273–283. doi: 10.1098/rsif.2007.1137

Table 2.

Results of the initial energy minimizations and of the long MD runs and subsequent optimizations in the dielectric medium. (n_AA represents the number of AA in a 5 Å range from the chrysotile plane, H_intra the number of intramolecular H-bonds and AA the residues involved in the α-helix formation. Energies are in kcal mol⁻¹.)

	CA^a (Å²)	initial adsorption						final adsorption

		E_tot	E_int	E_strain	n_AA	H_intra	AA	E_tot	E_int	E_strain	n_AA	H_intra	AA
zone 1	1027	−5804.13	564.04	34.64	24	19	36	−6013.43	773.34	181.33	81	1	2
zone 2	769	−4768.90	507.91	28.27	16	18	32	−5066.36	805.37	153.06	63	4	3
zone 3	862	−4407.42	455.79	20.80	15	26	49	−4817.79	966.16	151.66	61	7	10
zone 4	807	−4971.14	575.97	85.26	20	11	20	−6013.43	918.26	226.26	68	3	2

Initial contact area values.