Figure 4

Hydration of the interface between di-Ub and TAB2 NZF. (A) Number of hydrated water molecules found on the interface (waters within 4 Å of the protein interface). The left and right figures are for the distal Ub and proximal Ub, respectively. (B) The snapshots of interfacial waters for the distal Ub (left) and proximal Ub (right) after 5 ns (upper) and 140 ns (lower) during MD simulation. The water molecules are depicted by cyan spheres and the four residues of the I44 patch (L8, I44, H68, and V70) are drawn as yellow sticks.