... distortion of the )1sugar and by increasing the pKa of the catalytic acid. The hydroxyl group of Tyr214 makes a major contribution to the positioning of the N-acetyl group of the )1sugar.Takentogether, ... simplicity, and in line with the results from the other calculations, the <0.0 value is allocated to Asp140 and > 20.0 to Asp142.b The calculations were performed on the crystal structure of the ... 257rows 5 and 7 shows that in the presence of the substrate,rotation of Asp142 towards Glu144 lowers the pKa of the latter by 0.8 pH units. The calculated effects of the D140N and D215N muta-tions...