FoldX Difference Mutant/Wildtype
From Bioinformatikpedia
<figtable id="foldx_energies">
| Mutation | 1: H60R | 2: V172I | 3: E111K | 4: L197P | 5: W209R | 6: L470P | 7: W312C | 8: A384D | 9: D443N | 10: R44S |
|---|---|---|---|---|---|---|---|---|---|---|
| total energy | -0.39 | -0.80 | -0.36 | 0.28 | 2.86 | 8.59 | 1.88 | 4.52 | -0.34 | 0.60 |
| Backbone Hbond | -0.68 | -0.04 | 0.00 | 0.01 | -0.38 | 1.29 | 0.33 | 0.00 | -0.04 | -0.16 |
| Sidechain Hbond | 0.09 | 0.00 | 0.38 | 0.00 | -0.81 | 0.00 | -0.14 | 0.00 | -0.09 | -0.17 |
| Van der Waals | 0.52 | -0.71 | -0.18 | 1.09 | 0.50 | 1.10 | 3.12 | -0.78 | -0.57 | 0.75 |
| Electrostatics | 0.36 | 0.00 | -0.59 | -0.01 | -1.01 | 0.00 | 0.05 | 0.12 | 0.10 | -0.22 |
| Solvation Polar | -1.74 | 0.36 | 0.09 | -0.83 | 1.70 | -0.51 | -4.03 | 3.53 | 0.86 | -0.35 |
| Solvation Hydrophobic | 0.59 | -1.38 | -0.43 | 2.02 | 2.28 | 2.37 | 4.22 | -0.58 | -0.63 | 1.42 |
| Van der Waals clashes | -0.05 | 0.17 | 0.19 | 0.06 | -0.48 | 4.10 | -0.68 | 1.42 | 0.01 | -0.03 |
| entropy sidechain | 0.44 | 0.58 | 0.34 | -0.71 | 1.00 | -0.57 | -0.55 | 0.54 | 0.13 | -0.19 |
| entropy mainchain | 0.01 | 0.07 | 0.09 | -1.35 | -0.16 | 0.81 | -0.44 | 0.26 | -0.13 | -0.22 |
| sloop_entropy | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 |
| mloop_entropy | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 |
| cis_bond | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 |
| torsional clash | 0.07 | 0.14 | -0.00 | -0.00 | 0.10 | 0.01 | 0.00 | 0.01 | 0.02 | -0.10 |
| backbone clash | -0.02 | 0.07 | 0.06 | -0.06 | 0.01 | 0.07 | -0.52 | 0.03 | 0.04 | -0.10 |
| helix dipole | -0.00 | 0.00 | -0.23 | 0.00 | 0.12 | 0.00 | -0.00 | -0.00 | 0.00 | -0.13 |
| water bridge | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 |
| disulfide | -0.00 | 0.00 | -0.00 | 0.00 | 0.00 | 0.00 | -0.00 | 0.00 | 0.00 | 0.00 |
| electrostatic kon | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 |
| partial covalent bonds | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 |
| energy Ionisation | -0.00 | 0.00 | -0.00 | 0.00 | 0.00 | 0.00 | 0.00 | -0.00 | 0.00 | 0.00 |
| Entropy Complex | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 |
Differences between the mutant and the wildtype model. </figtable>
