Table 1 Active site details of Ws SGTL1 and Ws SGTL4 proteins
Active site descriptors | Ws SGTL1 | Ws SGTL4 |
|---|---|---|
Size and shape | Â | Â |
Volume [Ã…3] | 1481.16 | 2371.07 |
Surface [Ã…2] | 1801.17 | 2989.3 |
Lipophilic surface [Ã…2] | 1260.55 | 2211.65 |
Depth [Ã…] | 22.86 | 39.6 |
Ellipsoid main axis ratio c/a | 0.32 | 0.21 |
Ellipsoid main axis ratio b/a | 0.7 | 0.26 |
Enclosure | 0.05 | 0.07 |
Functional groups | Â | Â |
Hydrogen bond donors | 38 | 66 |
Hydrogen bond acceptors | 100 | 159 |
Metals | 0 | 0 |
Hydrophobic interactions | 67 | 116 |
Hydrophobicity ratio | 0.33 | 0.34 |
Elements | Â | Â |
Pocket atoms | 352 | 579 |
Carbon (C) | 246 | 399 |
Nitrogen (N) | 51 | 90 |
Oxygen | 53 | 86 |
Sulphur (S) | 2 | 4 |
Other elements | 0 | 0 |
Amino acid composition | Â | Â |
Apolar amino acid ratio | 0.55 | 0.52 |
Polar amino acid ratio | 0.31 | 0.32 |
Positive amino acid ratio | 0.06 | 0.09 |
Negative amino acid ratio | 0.08 | 0.08 |
Amino acids | Â | Â |
ALA | 10 | 14 |
ARG | 1 | 5 |
ASN | 4 | 6 |
ASP | 2 | 6 |
CYS | 2 | 2 |
GLN | 2 | 4 |
GLU | 4 | 3 |
GLY | 7 | 13 |
HIS | 3 | 4 |
ILE | 1 | 10 |
LEU | 9 | 8 |
LYS | 1 | 2 |
MET | 2 | 3 |
PHE | 7 | 12 |
PRO | 5 | 8 |
SER | 3 | 4 |
THR | 3 | 4 |
TRP | 2 | 3 |
TYR | 3 | 5 |
VAL | 6 | 4 |
Special amino acids | 0 | 0 |