Structural Basis for Species Selectivity in the HIV-1 gp120-CD4 Interaction: Restoring Affinity to gp120 in Murine CD4 Mimetic Peptides
Figure 7
Contacts of K60 and K61 of mCD4-M at the gp120 interface. (a) Interaction energy of K60 and K61 during the simulation. Total energy, electrostatic, and van der Waals contibution are colored in black, blue, and red respectively. (b) Visualization of inter- and intramolecular contacts transiently established by K60 and K61 during simulation. Snapshots were selected at time points when the intermolecular interaction of K60 or K61 was maximal. Peptide and gp120 are colored in green and purple, respectively. Arrows indicate detachment of strand D.
