Table 2. Hydrogen bonding energy calculated based on an empirical equation.
Complex | Hydrogen bonding | HB energy (kcal/mol) |
8CA-A-FABP | O2…R126HE | −0.76±0.11 |
O1…R126HH21 | −2.50±0.19 | |
O1…Y128HH | −1.81±0.20 | |
O2…Y128HH | −0.69±0.12 | |
F8A-A-FABP | O12…R126HE | −1.17±0.14 |
O11…R126HH21 | −1.77±0.16 | |
O11…Y128HH | −0.46±0.10 | |
O12…Y128HH | −2.05±0.18 | |
I4A-A-FABP | O26…R126HE | −1.34±0.13 |
O27…R126HH21 | −1.80±0.13 | |
O27…Y128HH | −0.51±0.10 | |
O26…Y128HH | −2.60±0.15 | |
H18…S55OG | −0.55±(0.12) |