Table 2.

Comparison of the R_g values for each representative structure (cluster and simulated force field condition) with the experimentally determined R_g of Histatin 5.

Water Model	Cluster 1	Cluster 2	Experimental
TIP3P	9.15 Å	7.71 Å
TIP4P-D	13.47 Å	12.12 Å	13.8 Å
Implicit GB8	10.68 Å	14.14 Å