Table 3. Energy differences between 60 and 0.1.
Label | ΔE conf | ΔΔμ | TΔS | ΔG | ΔΔG |
Rab | −59±53 | 520±32 | 18±18 | 444±57 | −135 |
Ac1W | 11±103 | 532±14 | 16±26 | 527±122 | −51 |
Ac1Q | 16±85 | 575±43 | 13±15 | 579±65 | 0 |
Ac2 | −52±127 | 512±29 | 19±24 | 441±112 | −138 |
Arm | −147±67 | 510±22 | 29±20 | 334±69 | −244 |
Yaq | −153±92 | 535±25 | 30±11 | 352±77 | −226 |
Unit: kcal/mol. ΔX = X 60 MPa – X 0.1 MPa where X = E conf, Δμ, TS, or G. ΔG = ΔE conf+ΔΔμ − TΔS. ΔΔG is the difference from ΔG of Ac1Q.