Table 2. Average Number of H-Bonds between the Y1278–C1097 and E1167–K1150 Interactions over the MDSs of ALK WT and I1171N/S/T Mutations in Apo and ATP-Bound States.
average H-bonds between
interaction |
||
---|---|---|
MD-trajectories | Y1278–C1097 | E1167–K1150 |
WT-Apo | 0.088346 | 0.239138 |
I1171N-Apo | 0.017149 | 0.502625 |
I1171S-Apo | 0.100095 | 0.39898 |
I1171T-Apo | 0.033648 | 0.438528 |
WT-ATP | 0.0013 | 0.318734 |
I1171N-ATP | 0.010049 | 0.532423 |
I1171S-ATP | 0.095545 | 0.40978 |
I1171T-ATP | 0.034898 | 0.109695 |