Figure 3.

Hbond interactions between A24 and the p161 peptides during the 300–500 ns part of the MD simulations: (A) p161, (B) Galp161, and (C) Glcp161. A24 is in grey ribbons, the interacting residues from A24 are in sticks, the peptides are in green sticks with Oxygen atoms in red and Nitrogen atoms in blue. Hbonds that are present in all three complexes with a lifetime > 10% are shown as dashed cyan lines in only A24-p161 and not shown in the other panels for clarity. If an hbond has a lifetime difference between a glycosylated complex and a wild type complex higher than 10%, then that hbond is shown in dashed red lines. The thickness of the dashed lines corresponds to the lifetime. In the case of multiple hbond donors and acceptors, as in Arg and Asp, the atoms between the donor/acceptor atoms are used to show the hbonds.