Table 1: Results from free energy calculations that summarize values obtained for ${\Delta \mu }_{\mathbf{h}}$ at 298 K.

Data for the temperature dependence of ${\Delta \mu }_{\mathrm{h}}$ were fit to equation (1), setting T₀ = 298 K, to extract values for $\Delta h$ and ${\Delta c}_P$.

Residue / unit	Model compound	${\Delta \mu }_{\mathbf{h}}$ kcal/mol	$\Delta \mathit{h}$ kcal/mol	${\Delta \mathit{c}}_{\mathit{P}}$ cal / mol-K
Ala	methane	1.63	−2.57	48.93
Val / Pro	propane	1.85	−6.33	105.80
Leu	2-methalpropane	2.22	−5.92	109.38
Ile	$n$-butane	2.00	−6.34	105.23
Met	ethyl methyl thioether	−1.92	−10.11	71.10
Phe	toluene	−0.17	−8.68	102.24
Cys	methanethiol	−1.04	−5.84	43.61
Tyr	p-Cresol	−5.85	−15.62	71.09
Trp	3-Methylindole	−4.46	−12.67	108.10
Ser	methanol	−5.08	−10.41	10.43
Thr	ethanol	−4.98	−12.55	50.06
Asn	acetamide	−8.61	−14.37	6.18
Gln	propionamide	−8.39	−16.06	51.47
His	4-methylimidazole	−10.04	−17.60	38.01
backbone / Gly	N-methylacetamide	−8.33	−16.10	44.73
Arg	$n$-propylguanidine	−47.62*	−57.24*	69.39
Lys	1-butylamine	−60.49*	−70.37*	29.98
Asp	acetic acid	−89.91*	−98.65*	−44.97
Glu	propionic acid	−86.16*	−96.62*	−8.75

^*As with the default ABSINTH model, in ABSINTH-T, the rFoS values, and therefore the $\Delta h$ values we used for ionizable residues are offset from the calculated ${\Delta \mu }_{\mathrm{h}}$ by a fixed constant of −30 kcal/mol. This, as was shown in the original work, is required to avoid the chelation of solution ions around ionizable residues. This “feature” remains a continuing weakness of the ABSINTH paradigm and one that we hope to remedy through suitable generalization of the model used in ABSINTH to interpolate between fully solvated and fully desolvated states.