Table 1.
The Top 38 Optimal Features for Hot Spot Prediction Based on the Two-Step Feature Selection Method
| Rank | Feature name | Z-Score | Feature type |
|---|---|---|---|
| 1 | PSSM(Y) | 3.057 | Site |
| 2 | Weighted relative surface burial in Euclidean neighborhood | 6.293 | Euclidian |
| 3 | Relative surface burial | 7.055 | Site |
| 4 | Sidechain energy score in Voronoi neighborhood | 3.211 | Voronoi |
| 5 | Physicochemical properties (polarity) in Euclidean neighborhood | 3.153 | Euclidian |
| 6 | Binary sidechain energy score in Voronoi neighborhood | 2.94 | Voronoi |
| 7 | Weighted conservation score | 2.6 | Site |
| 8 | Weighted PSSM(R) in Voronoi neighborhood | 3.39 | Voronoi |
| 9 | Weighted PSSM(S) in Euclidean neighborhood | 4.16 | Euclidian |
| 10 | Weighted normalized atom contacts in monomer | 4.121 | Site |
| 11 | Weighted binary sidechain energy score in Euclidean neighborhood | 3.668 | Euclidian |
| 12 | Weighted PSSM(R) | 4.152 | Site |
| 13 | Weighted four-body statistical pseudo-potential | 3.311 | Site |
| 14 | Weighted PSSM(E) | 2.645 | Site |
| 15 | Weighted physicochemical properties (propensities) | 3.572 | Site |
| 16 | Weighted Voronoi residue contacts in Euclidean neighborhood | 4.614 | Euclidian |
| 17 | Weighted sidechain energy score in Euclidean neighborhood | 2.856 | Euclidian |
| 18 | Weighted normalized residue contacts in monomer | 3.37 | Site |
| 19 | ConSurf score in Voronoi neighborhood | 5.94 | Voronoi |
| 20 | Residue-interface propensity score in Voronoi neighborhood | 2.659 | Voronoi |
| 21 | Physicochemical properties (polarizability) in Euclidean neighborhood | 2.569 | Euclidian |
| 22 | Binary sidechain energy score in Euclidean neighborhood | 6.046 | Euclidian |
| 23 | Weighted normalized residue contacts in monomer in Euclidean neighborhood | 3.627 | Euclidian |
| 24 | Weighted PSSM(K) | 4.124 | Site |
| 25 | Weighted PSSM(K) in Euclidean neighborhood | 2.798 | Euclidian |
| 26 | Weighted PSSM(K) | 3.193 | Voronoi |
| 27 | Δ pair potential | 3.433 | Site |
| 28 | Weighted Voronoi atom contacts in Euclidean neighborhood | 3.198 | Euclidian |
| 29 | Weighted PSSM(C) | 2.574 | Site |
| 30 | Weighted PSSM(Y) | 3.283 | Site |
| 31 | Weighted topographical index in Euclidean neighborhood | 3.523 | Euclidian |
| 32 | Weighted normalized residue contacts in complex in Euclidean neighborhood | 4.204 | Euclidian |
| 33 | Combined energy score | 3.487 | Site |
| 34 | Relative surface burial in Euclidean neighborhood | 5.301 | Euclidian |
| 35 | Pair potentia in complex in Euclidean neighborhood | 2.522 | Euclidian |
| 36 | Weighted topographical index | 2.99 | Site |
| 37 | Weighted physicochemical properties (polarity) in Euclidean neighborhood | 3.024 | Euclidian |
| 38 | Weighted ConSurf score in Voronoi neighborhood | 4.392 | Voronoi |
The Z-Score is calculated in the first step based on Random Forests.