| Energy . | Mean . | SD . |
|---|---|---|
| kcal/mol | kcal/mol | |
| ELE (electrostatic energy) | −44.42 | 7.33 |
| VDW (VDW energy) | −45.09 | 4.10 |
| INT (bond, angle, dihedral energies) | 0.00 | 0.00 |
| GAS (ELE + VDW + INT) | −89.51 | 7.13 |
| GBSUR (hydrophobic contributor to solvent free energy for GB calculations) | −6.04 | 0.37 |
| GB (reaction field energy calculated by GB) | 71.03 | 4.94 |
| GBSOL (GBSUR + GB) | 65.00 | 4.81 |
| GBELE (GB + ELE) | 26.61 | 4.67 |
| GBTOT (GBSOL + GAS) | −24.52 | 3.51 |
| Energy . | Mean . | SD . |
|---|---|---|
| kcal/mol | kcal/mol | |
| ELE (electrostatic energy) | −44.42 | 7.33 |
| VDW (VDW energy) | −45.09 | 4.10 |
| INT (bond, angle, dihedral energies) | 0.00 | 0.00 |
| GAS (ELE + VDW + INT) | −89.51 | 7.13 |
| GBSUR (hydrophobic contributor to solvent free energy for GB calculations) | −6.04 | 0.37 |
| GB (reaction field energy calculated by GB) | 71.03 | 4.94 |
| GBSOL (GBSUR + GB) | 65.00 | 4.81 |
| GBELE (GB + ELE) | 26.61 | 4.67 |
| GBTOT (GBSOL + GAS) | −24.52 | 3.51 |