Result: Calculation of the covariance
matrix values after diagonalization showed a significant increase for the
G140S system (18.33 nm) compared to the other three systems WT,
E92Q and
Y143R each having 9.58 nm, 8.98 nm and 10.41 nm lower values, respectively.
Result: Distance analysis indicated a smaller average distance of 0.21 +- 0.01 nm and 0.22 +- 0.01 nm between the WT,
Y143R MG ion and drug DTG systems compared to
E92Q and
G140S each having a distance of 0.41 +- 0.04 nm, 0.99 +- 0.20 nm, respectively.
Result: On the other hand, the
E92Q system showed interactions with one of the active site residues (D116) but no MG ionic interactions (Table 3).