Table 2.
Results of structural analysis.
| VdW volume (Å3) | surface area (Å2) | ||||
|---|---|---|---|---|---|
| a. Volume and surface area of Phe and Leu | |||||
| Phe | 135 | 175 | |||
| Leu | 124 | 137 | |||
| Tyr13 | Arg14 | Ile34 | Ile39 | Val44 | |
| b. Buried surface area of important residues | |||||
| Control | 10.1 | 14.6 | 16.7 | 24.8 | 5.3 |
| Phe10Leu | 4.0 | 9.7 | 11.9 | 22.3 | 7.8 |
| Control | Phe10Leu | Difference | |||
| c. Statistics for structural potentials | |||||
| BackHbond | −53.66 | −54.02 | −0.36 | ||
| SideHbond | −5.87 | −5.27 | 0.6 | ||
| Energy_VdW | −59.41 | −58.84 | 0.57 | ||
| Electro | −0.7 | −0.75 | −0.05 | ||
| Energy_SolvP | 90.93 | 90.44 | −0.49 | ||
| Energy_SolvH | −71.61 | −71.14 | 0.47 | ||
| Energy_VdWclash | 8.17 | 9.19 | 1.02 | ||
| energy_torsion | 0.75 | 1.22 | 0.47 | ||
| backbone_VdWclash | 64.86 | 64.69 | −0.17 | ||
| Entropy_sidec | 26.84 | 27.06 | 0.22 | ||
| Entropy_mainc | 97.74 | 97.14 | −0.6 | ||
| water bonds | 0 | 0 | 0 | ||
| helix dipole | −0.13 | −0.13 | 0 | ||
| loop_entropy | 0 | 0 | 0 | ||
| cis_bond | 0 | 0 | 0 | ||
| disulfide | 0 | 0 | 0 | ||
| kn electrostatic | 0 | 0 | 0 | ||
| partial covalent interactions | 0 | 0 | 0 | ||
| Energy_Ionisation | 0.1 | 0.1 | 0 | ||
| Entropy Complex | 0 | 0 | 0 | ||
| Total | 33.16 | 35 | 1.84 | ||