Table 1.

Features of the various MD runs. Summary of the main features of the various MD runs. Columns list the average total solvent accessible surface area (Total SASA), its hydrophobic (H-SASA) and polar component (P-SASA), the average radius of gyration (r. gyr.), the average number of residues in α- or 3₁₀-helices (hel. res.), the average number of hydrogen bonds (H-bonds) and the overall G-Factor from Procheck (Procheck).

Simulation	Total SASA	H-SASA	P-SASA	r. gyr.	hel. res.	H-bonds	Procheck
NATIVE	2990.81	1606.68	1384.12	9.55	17.39	23.8	0.14
F1	3072.17	1712.89	1359.28	9.74	13.69	24.1	0.15
F3	3193.06	1798.77	1394.29	10.43	13.04	24.1	0.18
F4	3117.71	1815.73	1301.98	9.58	5.45	20.9	0.30
F7	3088.72	1825.99	1262.72	10.07	0.29	18.5	0.38