Figure 6
Summary of the specific intermolecular interactions monitored both at the “site1” and “site2” of hC5a(A8)-C5aR complex over 250 ns of MD at 300 K in POPC bilayer. Interacting residues that are not superscripted represents C5aR and the residues that are superscripted represents hC5a(A8). The distance cut-offs are shown as solid grey lines. (a) Very strong hydrogen bond interaction observed between the backbone CO of D10 and the backbone NH of S42. (b) Stable hydrogen bonding noted between the backbone CO of Y14 and the side chain of K20. (c) Stable salt bridge interactions observed between the head group of K20 and side chain of D15 and (d) D16. (e) Moderate salt bridge interaction observed between the side chain of D18 and R27 and (f) between the side chain of D21 and K19. (g) The strong hydrophobic interaction between Cγ2 of T19 and the centroid of Y23. (h) Stable “cation-π” interaction observed between the centroid of Y174 and the side chain of R73. (i) Strong hydrogen bonding noted between the backbone NH of F182 and the backbone CO of R69. (j) Very strong hydrogen bond interaction between the side chain of K185 and the backbone CO of L72. (k) Stable “π- π” interaction observed between F275 and F67. (l) Strong hydrogen bonding noted between the backbone CO of N279 and the side chain of S66.
