Table 5.

Homology models chosen as starting structures for MD simulations

Homology model	A‐loop class	P‐loop class	αC‐helix class	Mean RMSD
ABL1—HM 8	Open DFG‐out	Collapsed	αC‐out	2.64 ± 0.55
ABL1—HM 12	Closed A‐under‐P	Stretched	αC‐in	2.26 ± 0.25
ABL1—HM 16	Closed type 2	Stretched	αC‐out	3.19 ± 0.34

The structural classifications refer to the chimeric template that was used to build the respective homology model. Mean backbone RMSD values were calculated over MD trajectories of 200 ns length with respect to their energy‐minimized starting structure.