Table 10.

The mean and standard deviation of the interaction energy for individual cooperatively hydrated interactions in the native and extended states for the CHARMM22/TIP3P/NaCl treatment, plus the energy difference. In each case, the donor or acceptor atoms are reported, using residue names, residue numbers, and CHARMM atom names.

Atom 1	Atom 2	Persistence	Native ECH (kcal/mol)	Extended ECH (kcal/mol)	ΔECH (kcal/mol)
LEU42 O	ARG55 HH11/HH21	0.63 ± 0.25	−67.22 ± 0.38	−68.4 ± 0.4	1.2
ASP44 HN	ASP44 OD1/OD2	0.58 ± 0.14	−34.01 ± 0.31	−31.3 ± 0.3	−2.7
LYS48 O	ALA49 O	0.64 ± 0.08	3.88 ± 0.30	3.9 ± 0.2	−0.1
ALA49 O	VAL50 O	0.92 ± 0.08	0.95 ± 0.22	0.8 ± 0.2	0.1
VAL50 O	LYS73 HZ1/HZ2/HZ3	0.85 ± 0.11	−5.18 ± 0.24	−5.3 ± 0.2	0.1
ALA59 O	LEU61 O	0.89 ± 0.05	17.08 ± 0.25	16.4 ± 0.2	0.7
ALA59 O	GLN66 HE21	0.87 ± 0.08	−16.43 ± 0.30	−16.9 ± 0.2	0.5
GLN66 OE1	LYS70 HZ1/HZ2/HZ3	0.68 ± 0.13	−31.91 ± 0.20	−31.2 ± 0.2	−0.7
LYS71 O	GLU72 O	0.62 ± 0.06	1.68 ± 0.20	0.9 ± 0.2	0.7
GLY74 O	PHE76 OT1/OT2	0.69 ± 0.14	−28.51 ± 0.38	−27.8 ± 0.3	−0.7
LEU75 O	PHE76 OT1/OT2	0.85 ± 0.10	−20.31 ± 0.33	−20.5 ± 0.3	0.2
ASP44 OD1/OD2	ARG55 HN	0.51 ± 0.20	−29.87 ± 0.26	−29.0 ± 0.4	−0.9
ASP44 OD1/OD2	SER56 HN	0.86 ± 0.16	−22.47 ± 0.23	−22.2 ± 0.4	−0.3
GLU72 OE1/OE2	LYS73 HZ1/HZ2/HZ3	0.61 ± 0.20	−23.59 ± 0.30	−23.2 ± 0.3	−0.4
GLU45 OE1/OE2	LYS48 HZ1/HZ2/HZ3	0.69 ± 0.31	−23.93 ± 0.72	−23.2 ± 0.3	−0.7
		Mean	−18.7	−18.5	−0.2