Table 3.
Amino acid composition/contribution of the specific versus polyvalent binding sites
Residue | HoD (A) | HoD,HoD (B) | Log(B/A) | HoD,HeD (C) | Log(C/B) | HoD,Solvent(D) | Log(D/B) | DNA | HoD,DNA |
---|---|---|---|---|---|---|---|---|---|
GLY | 6.3 | 7.2 | 0.05 | 5.4 | −0.12 | 6.2 | −0.07 | 5.3 | 2.6 |
ALA | 6.5 | 9.2 | 0.15 | 4.4 | −0.32 | 5.8 | −0.20 | 4.2 | 2.1 |
VAL | 5.5 | 10.5 | 0.28 | 5.2 | −0.31 | 4.1 | −0.41 | 6.0 | 11.3 |
LEU | 8.8 | 17.1 | 0.29 | 7.5 | −0.36 | 6.3 | −0.43 | 3.5 | 6.7 |
ILE | 4.8 | 10.2 | 0.33 | 2.8 | −0.56 | 3.2 | −0.51 | 3.9 | 4.6 |
PRO | 5.1 | 8.0 | 0.20 | 3.4 | −0.38 | 4.3 | −0.27 | 3.5 | 3.1 |
MET | 2.6 | 4.2 | 0.22 | 2.8 | −0.18 | 2.1 | −0.31 | 4.9 | 8.7 |
PHE | 4.4 | 6.9 | 0.20 | 8.0 | 0.07 | 3.5 | −0.29 | 0.9 | 0.0 |
TRP | 1.6 | 1.1 | −0.16 | 1.3 | 0.07 | 1.7 | 0.18 | 0.4 | 0.0 |
SER | 5.7 | 3.3 | −0.24 | 8.0 | 0.38 | 6.4 | 0.29 | 9.7 | 6.2 |
THR | 5.6 | 4.0 | −0.14 | 6.7 | 0.22 | 6.1 | 0.18 | 8.8 | 8.7 |
ASN | 4.2 | 1.5 | −0.45 | 2.8 | 0.27 | 5.0 | 0.52 | 7.2 | 6.2 |
GLN | 4.4 | 1.9 | −0.37 | 3.4 | 0.25 | 5.2 | 0.44 | 4.6 | 5.6 |
ASP | 5.8 | 1.9 | −0.49 | 5.2 | 0.43 | 7.0 | 0.57 | 4.6 | 2.6 |
GLU | 6.8 | 2.3 | −0.47 | 6.7 | 0.47 | 8.1 | 0.55 | 4.1 | 5.1 |
CYS | 1.2 | 1.5 | 0.09 | 0.5 | −0.47 | 1.1 | −0.13 | 0.9 | 0.0 |
TYR | 4.2 | 2.6 | −0.22 | 7.7 | 0.48 | 4.7 | 0.26 | 2.8 | 1.5 |
HIS | 3.3 | 1.5 | −0.33 | 2.3 | 0.18 | 3.8 | 0.39 | 2.7 | 3.1 |
LYS | 6.1 | 3.1 | −0.30 | 10.6 | 0.54 | 7.1 | 0.37 | 12.7 | 11.3 |
ARG | 6.9 | 1.9 | −0.56 | 5.4 | 0.45 | 8.4 | 0.65 | 9.2 | 10.8 |
Hydrophob | 39.7 | 66.5 | 31.4 | 31.9 | 31.3 | 39.1 | |||
Anionic | 12.6 | 4.2 | 11.9 | 15.1 | 8.7 | 7.7 | |||
Cationic | 13 | 5 | 16 | 15.5 | 21.9 | 22.1 | |||
Polar | 19.9 | 10.7 | 20.9 | 22.7 | 30.3 | 26.7 | |||
C(HoD) | 0.97 | 0.64 | 0.61 | 0.76 | 0.45 | 0.49 | |||
C(HeD) | 0.86 | 0.17 | 0.77 | 0.90 | 0.77 | 0.6 | |||
C(Pcore) | 0.43 | 0.93 | 0.17 | −0.07 | −0.11 | 0.17 | |||
C(Crystal) | 0.84 | 0.10 | 0.62 | 0.95 | 0.67 | 0.5 |
C(X) is a Pearson product–moment correlation between the amino acid scale described in column and the published amino acid scale X. When X is HoD (homodimer), the amino acid scale is from Bahadur et al. (18); when X is HeD (Heterodimer) or Pcore (protein core), the amino acid scales are from Albou et al. (27); when X is Crystal (crystal packing), it is from Bahadur et al. (15). HoD,X (such as HoD,HeD) indicates an homodimer/X polyvalent binding site.