Table 3.
Donor | Acceptor | Probability (%)
|
|||||
---|---|---|---|---|---|---|---|
Zn:Aβ40
|
Zn:Aβ42
|
||||||
R(C–N) ≤4 Å |
R(C–N) ≤5 Å |
R(C–N) ≤6 Å |
R(C–N) ≤4 Å |
R(C–N) ≤5 Å |
R(C–N) ≤6 Å |
||
Arg5 | Asp1 | 55.1 | 63.5 | 65.1 | 82.8 | 93.3 | 94.3 |
Arg5 | Glu22 | 13.1 | 13.4 | 13.5 | 14.9 | 15.2 | 15.2 |
Arg5 | Asp7 | 23.2 | 29.6 | 34.1 | 26.1 | 29.7 | 32.1 |
Arg5 | Glu3 | 20.2 | 21.4 | 21.6 | 5.1 | 5.7 | 5.9 |
Arg5 | Asp23 | 14.0 | 15.3 | 16.3 | 12.9 | 12.9 | 13.0 |
Lys16 | Glu22 | 1.0 | 1.3 | 1.4 | 19.7 | 26.5 | 27.7 |
Arg5 | Glu11 | 0.1 | 0.7 | 1.3 | 2.0 | 7.1 | 22.5 |
Lys28 | Glu3 | 1.3 | 1.8 | 1.9 | 0.2 | 0.4 | 0.5 |
R(C–N) is the distance between the carboxylate carbon atom and the side-chain or N-terminal nitrogen atom