TABLE 2.
ΔSI calculated under “dS = 0.28 nm and ηS = 0.3665” for representative conformations of protein G
| Conformation | Parameters | ΔSI/kB |
|---|---|---|
| Native | AMBER99 | −2179 (207) |
| Unfolded | AMBER99 | −2386 (0) |
| Structure 1 | AMBER99 | −2225 (161) |
| Structure 2 | AMBER99 | −2212 (174) |
| Structure 3 | AMBER99 | −2255 (131) |
The number in the parenthesis denotes the value relative to ΔSI/kB of the unfolded conformation. For example, the TE of the solvent in which protein G is immersed is larger for the native structure by 207kB than for the unfolded conformation.