TABLE 2.
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.