Table 2.
Frequency of carboxyl oxygens of acidic residues making electrostatic interactions with the quaternary groups of TChC or TChP in the three simulation groups
| TChC (I) | TChC (III) | TChP (II) | TChP(III) | |
|---|---|---|---|---|
| D72 | 204,012 | 140,762 | 436,350 | 270,416 |
| E73 | 13,286 | 1920 | 101,465 | 161,444 |
| E82 | 4268 | |||
| E199 | 643,868 | 645,377 | ||
| E247 | 14,207 | 562 | ||
| E273 | 1395 | 4206 | ||
| D276 | 118,740 | 81,120 | ||
| E278 | 36,208 | 3937 | ||
| D285 | 21,820 | 593,531 | 586,572 | |
| E327 | 122 | 106 | ||
| E443 | 9060 | 19,638 | ||
| E445 | 60,269 | 78,047 |
Cutoff for the maximal distance between the quaternary nitrogen and the carboxyl oxygen is 0.6 nm.