TABLE 3.
Hydrogen bond or salt bridge propensities at 340K across all simulations for residues of AnCel5A, T300P/D307P, and N193A/T300P/D307P
WT |
T300P/D307P |
N193A/T300P/D307P |
|||
---|---|---|---|---|---|
Acceptor/donor | % | Acceptor/donor | % | Acceptor/donor | % |
D307/R258 | 90.20 | P307/T303 | 3.92 | P307/T303 | 1.89 |
I291/T300 | 64.71 | P300/G304 | 19.61 | P300/G304 | 9.73 |
T300/G304 | 56.86 | ||||
T300/S293 | 3.92 | ||||
Y290/W281 | 5.88 | Y290/W281 | 37.76 | Y290/W281 | 41.36 |
Y249/W281 | 50.94 | Y249/W281 | 75.29 | Y249/W281 | 68.91 |
W287/S293 | 54.12 | W287/S293 | 88.24 | W287/S293 | 89.67 |
G284/W287 | 27.45 | G284/W287 | 39.22 | G284/W287 | 32.98 |
W287/Y290 | 5.88 | W287/Y290 | 37.76 | W287/Y290 | 41.53 |