. Author manuscript; available in PMC: 2010 Jul 15.

Published in final edited form as: J Am Chem Soc. 2009 Jul 15;131(27):9506–9515. doi: 10.1021/ja809726e

Table 1.

General properties of hOgg1 simulations. Properties at 310 K represent averages for 3 simulations over the last 5 ns of each simulation.

	Temp (K)	Cα-RMSD (Å)	Total SASA (Å²)	Intramolecular residue contacts
wt	initial	0.0	13730	1317
	310	3.5 ± 0.7	16320 ± 506	1199 ± 13
R46Q	initial	0.0	13733	1315
	310	3.7 ± 0.3	16399 ± 277	1198 ± 16
R131Q	initial	0.0	13718	1318
	310	3.5 ± 0.4	16322 ± 356	1196 ± 13
R154H	initial	0.0	13705	1315
	310	3.8 ± 0.8	16223 ± 312	1203 ± 16