Figure 5

Detailed view of interactions observed at the PDIBJ area in the MD simulations of the newly designed Cre variants with rox. (a) mCre1 (K43R, R259P, G263K, T258A) (b) mCre2 (K43R, R259P, G263K, T258L) (c) mCre3 (K43R, R259P, G263K, T258L, E262L) and (d) mCre4 (K43R, R259P, G263K, T258A, E262I). The mutated amino acids with respect to wild type Cre are labeled (yellow box). The hydrogen bonds are shown in black dashed lines and van der Waals interactions in dotted spheres. Pymol was used to generate the image (version 2.1, https://pymol.org/).