Table 3.
The binding energy profile of the homodimers of the wild type (WT) and mutant Aβ42. The interacting amino acid residues of each chain are shown.
| Dimer |
BFE (kcal/mol) |
Interacting residues |
No. of H-bonds | BIE (kcal/mol) | Type of AD | Special Characteristics | |
|---|---|---|---|---|---|---|---|
| Chain A | Chain B | ||||||
| WT | −10.2 | Arg5 | Ala21, Glu22 | 13 | −74.6006 | sAD | |
| His6 | Phe19 | ||||||
| Glu11 | Gln15 | ||||||
| His13 | His13, Gln15 | ||||||
| Gln15 | Glu11 | ||||||
| Phe19 | His6 | ||||||
| Glu22 | Arg5 | ||||||
| A2V mutant | −10.5 | Arg5 | Glu22 | 11 | −78.1829 | fAD | autosomal recessive mutation |
| His6 | Val18 | ||||||
| Glu11 | Gln15 | ||||||
| His13 | His13 | ||||||
| Lys16 | His6 | ||||||
| Leu17 | His6 | ||||||
| Gln22 | Arg5 | ||||||
| E22del mutant | −8.2 | Gln15 | His13 | 12 | −69.601 | fAD (Osaka Variant) | no senile plaque formation |
| Lys16 | Tyr10, Glu11 | ||||||
| Val18 | His13, Gln15 | ||||||
| Phe19 | Asp1 | ||||||
| Asn26 | Glu3 | ||||||
| Gly36 | Phe19 | ||||||
| Gly37 | Phe19 | ||||||
| Val38 | Ala21, Phe20 | ||||||
| A2T mutant | −7.3 | Ser8 | Arg5 | 6 | −70.4468 | NA | cured of AD |
| Tyr10 | His6 | ||||||
| Glu11 | Phe4 | ||||||
| His14 | His13 | ||||||
| Lys16 | Glu11 | ||||||
| Phe19 | Lys16 | ||||||