Table 1.
Interaction | Qay/b | ΔGay/b (kcal/mol) | % Contributiona |
---|---|---|---|
1|4 Control | 0.0142±0.0005 | 2.38±0.03 | 100 |
45Å | 0.35±0.01 | 0.59±0.02 | 25±1 |
33Å | 1.4±0.1 | −0.19±0.04 | −8±2 |
30Å | 0.27±0.02 | 0.73±0.04 | 31±2 |
23Å | 0.17±0.02 | 0.99±0.07 | 42±3 |
45Å+33Å+30Å +23Å | -------- | 2.12±0.09 | 89±4 |
45Å+30Å+23Å | -------- | 2.31±0.08 | 97±4 |
%Contribution with respect to ΔGay/b @8.5°C determined for the 1|4 control.