Table 3.
Homodimer interface interaction energies.
| Interaction energies | Coulombic | VDW | Total | |
|---|---|---|---|---|
| kcal/mol | kcal/mol | kcal/mol | ||
| Protomer A, B | ||||
| T4.38 | -0.01 | -0.03 | -0.04 | |
| P4.39 | 0.08 | -0.02 | 0.06 | |
| R4.40 | 0.30 | -0.31 | -0.01 | |
| N4.41 | -0.32 | -1.06 | -1.38 | |
| I4.44 | -0.02 | -3.56 | -3.58 | |
| I4.45 | 0.09 | -1.22 | -1.13 | |
| V4.47 | -0.06 | -0.24 | -0.31 | |
| C4.48 | 0.11 | -1.49 | -1.38 | |
| W4.50 | 0.03 | -0.02 | 0.01 | |
| I4.51 | 0.18 | -2.77 | -2.58 | |
| L4.52 | 0.03 | -0.11 | -0.08 | |
| S4.54 | 0.03 | -0.06 | -0.03 | |
| A4.55 | 0.21 | -2.11 | -1.90 | |
| I4.56 | 0.11 | -2.42 | -2.32 | |
| G4.57 | -0.03 | 0.00 | -0.04 | |
| P4.59 | 0.01 | -0.07 | -0.06 | |
| Subtotal | 0.74 | -15.50 | -14.76 | |
| Cholesterol A, Protomer B | 0.07 | -2.52 | -2.44 | |
| Cholesterol B, Protomer A | 0.10 | -2.49 | -2.39 | |
| Subtotal | 0.17 | -5.01 | -4.83 | |
| Total | 0.91 | -20.51 | -19.59 | |
Residues in bold are residue positions shown to be involved in the TMH4 homodimer inactive state interface of the dopamine D2 receptor [36].