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Influence of the orientation of the methyl-ester group of A−1A/A−1B on the PA•+/PB•+ ratio and spin-density distribution calculated in the PSI protein (in %)
| Charge |
Spin |
|||
|---|---|---|---|---|
| PA•+ | PB•+ | PA | PB | |
| Wild-type | 27.9 | 72.1 | 22.4 | 77.6 |
| [Rotated methyl-ester] | ||||
| A−1A | 26.6 | 73.4 | 19.7 | 80.3 |
| A−1B | 23.5 | 76.5 | 17.4 | 82.6 |
| A−1A/A−1B | 22.4 | 77.6 | 15.1 | 84.9 |
