Table 2.
Residue | Number | PO3H− (%) | PO32− (%) |
---|---|---|---|
A4 | |||
TYR | H32 | 0.1 | 0.0 |
SER | H33 | 60.6 | 61.0 |
HIS | H50 | 34.7 | 33.9 |
GLY | H52 | 83.2 | 96.2 |
SER | H53 | 87.6 | 98.4 |
SER | H54 | 48.7 | 53.1 |
GLY | H55 | 20.0 | 28.0 |
THR | H56 | 15.0 | 0.2 |
TYR | H58 | 4.1 | 0.0 |
ARG | H95 | 63.3 | 80.6 |
TYR | H99 | 0.5 | 0.0 |
C7 | |||
SER | H52 | 99.9 | 100.0 |
ARG | H53 | 100.0 | 100.0 |
SER | H54 | 100.0 | 100.0 |
ILE | H56 | 0.3 | 0.8 |
TYR | H97 | 100.0 | 100.0 |
Interactions are counted if distances between the phosphorus atom and any atoms in surrounding residues are less than 4.0 Å. Frequencies were averaged over three independent simulations for each system.