Table S3.
Protonation probabilities (protonated = 1 and deprotonated = 0) of heme propionic groups (acid A and acid D) in reduced MtrF
| Heme and redox state | Protonation states | |
| Acid A | Acid D | |
| 1 | ||
| Oxidized | 0.00 | 0.96 |
| Reduced | 0.00 | 1.00 |
| 2 | ||
| Oxidized | 0.07 | 0.51 |
| Reduced | 0.38 | 0.58 |
| 3 | ||
| Oxidized | 0.00 | 0.00 |
| Reduced | 0.20 | 0.00 |
| 4 | ||
| Oxidized | 0.76 | 0.28 |
| Reduced | 0.75 | 0.62 |
| 5 | ||
| Oxidized | 0.00 | 0.11 |
| Reduced | 0.46 | 0.38 |
| 6 | ||
| Oxidized | 0.25 | 0.98 |
| Reduced | 0.84 | 1.00 |
| 7 | ||
| Oxidized | 0.27 | 0.00 |
| Reduced | 0.80 | 0.17 |
| 8 | ||
| Oxidized | 0.00 | 0.00 |
| Reduced | 0.00 | 0.00 |
| 9 | ||
| Oxidized | 0.97 | 0.24 |
| Reduced | 0.98 | 0.47 |
| 10 | ||
| Oxidized | 0.31 | 0.18 |
| Reduced | 0.65 | 0.20 |
Although the focusing heme was titrated (i.e., fully oxidized or reduced), the other hemes were in the reduced states.