Figure 2.

The backbone of the NNRTI pocket, colored according to the average residue displacement (PDB:1FK9). Black indicates a small average displacement, ≤2 Å, gray indicates a medium displacement, between 2 and 4 Å, and white indicates a large displacement ≥4 Å (A). The gray volume represents the NNRTI Efavirenz. Residues Y181, Y188, K223, and M230 all undergo a relatively large movement upon ligand binding (B, black circles). The residues between L228 and L234 all undergo a large displacement upon ligand binding, this correlates with the results from the B-factor analysis. The residue axis is labeled identically to Figure 1.