Table 1 A list of each feature contained within our surface descriptor
From: Local functional descriptors for surface comparison based binding prediction
Feature # | Name | Description |
|---|---|---|
1 | % Visibility | Percentage of outside world visible from point |
2 | Non-Polar Backbone | Distance to the nearest Non-Polar Backbone Atom |
3 | Arom. Sidechain | Distance to the nearest Aromatic Sidechain Atom |
4 | Aliph. Sidechain | Distance to the nearest Aliphatic Sidechain Atom |
5 | N Backbone | Distance to the nearest Nitrogen Backbone Atom |
6 | O Backbone | Distance to the nearest Oxygen Backbone Atom |
7 | S Backbone | Distance to the nearest Sulpher Sidechain Atom |
8 | Amide N Sidechain | Distance to the nearest Amide Nitrogen Sidechain Atom |
9 | Amide O Sidechain | Distance to the nearest Amide Oxygen Sidechain Atom |
10 | Trp Sidechain | Distance to the nearest Trypophan Sidechain Atom |
11 | Hydroxyl Sidechain | Distance to the nearest Hydroxyl Sidechain Atom |
12 | Charged O Sidechain | Distance to the nearest Charged Oxygen Sidechain Atom |
13 | Charged N Sidechain | Distance to the nearest Charged Nitrogen Sidechain Atom |
14 | Anisotropy (1.6 Å) | Patch anisotropy, with radius: 1.6 Å |
15 | Anisotropy (3.2 Å) | Patch anisotropy, with radius: 3.2 Å |
16 | Anisotropy (4.8 Å) | Patch anisotropy, with radius: 4.8 Å |
17 | Anisotropy (6.4 Å) | Patch anisotropy, with radius: 6.4 Å |
18 | Anisotropy (8 Å) | Patch anisotropy, with radius: 8 Å |
19 | Curvature (1.6 Å) | Patch curvature, with radius: 1.6 Å |
20 | Curvature (3.2 Å) | Patch curvature, with radius: 3.2 Å |
21 | Curvature (4.8 Å) | Patch curvature, with radius: 4.8 Å |
22 | Curvature (6.4 Å) | Patch curvature, with radius: 6.4 Å |
23 | Curvature (8 Å) | Patch curvature, with radius: 8 Å |
24 | Curvature Var. (1.6 Å) | Variance of curvature within patch of radius: 1.6 Å |
25 | Curvature Var. (3.2 Å) | Variance of curvature within patch of radius: 3.2 Å |
26 | Curvature Var. (4.8 Å) | Variance of curvature within patch of radius: 4.8 Å |
27 | Curvature Var. (6.4 Å) | Variance of curvature within patch of radius: 6.4 Å |
28 | Curvature Var. (8 Å) | Variance of curvature within patch of radius: 8 Å |
29 | Hydropathy (1.6 Å) | Weighted avg. hydropathy over patch of radius: 1.6 Å |
30 | Hydropathy (3.2 Å) | Weighted avg. hydropathy over patch of radius: 3.2 Å |
31 | Hydropathy (4.8 Å) | Weighted avg. hydropathy over patch of radius: 4.8 Å |
32 | Hydropathy (6.4 Å) | Weighted avg. hydropathy over patch of radius: 6.4 Å |
33 | Hydropathy (8 Å) | Weighted avg. hydropathy over patch of radius: 8 Å |
34 | Charge (1.6 Å) | Weighted avg. charge over patch of radius: 1.6 Å |
35 | Charge (3.2 Å) | Weighted avg. charge over patch of radius: 3.2 Å |
36 | Charge (4.8 Å) | Weighted avg. charge over patch of radius: 4.8 Å |
37 | Charge (6.4 Å) | Weighted avg. charge over patch of radius: 6.4 Å |
38 | Charge (8 Å) | Weighted avg. charge over patch of radius: 8 Å |
39 | Hyd. Bond Donor | Distance to nearest potential external hydrogen bond donor |
40 | Hyd. Bond Acceptor | Distance to nearest potential external hydrogen bond acceptor |