Table 3.
The differences in the number of interactions formed between the references CYP2C19.1 and CYP2D6.1 and the different variants residue and the neighboring residues/molecules
| Number of interactions on wild-type protein | Number of interactions on mutant protein | Differences in interactions | Number of unfavorable clashes formed | |
|---|---|---|---|---|
| CYP2C19 variant | ||||
| F114C | 74 | 8 | − 66 | 0 |
| C164G | 13 | 9 | − 4 | 0 |
| R186H | 23 | 13 | − 10 | 0 |
| H251Q | 48 | 71 | 23 | 10 |
| K275M | 12 | 26 | 14 | 1 |
| A297V | 47 | 133 | 86 | 12 |
| M339T | 38 | 32 | − 6 | 0 |
| CYP2D6 variant | ||||
| R133C | 14 | 19 | 5 | 0 |
| D301N | 32 | 44 | 12 | 1 |
| A305T | 20 | 39 | 19 | 3 |
| L314M | 27 | 40 | 13 | 1 |