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. Author manuscript; available in PMC: 2012 Oct 15.
Published in final edited form as: Eur J Pharmacol. 2011 Mar 31;668(3):435–442. doi: 10.1016/j.ejphar.2011.02.045

FIG. 4. Models of NAc-Pro-Gly-Pro and CXCL8.

FIG. 4

Ball and stick model of the putative binding domain of CXCL8 (S31G32P33). Aligned beneath are the ball and stick models of the isomers of NAc-PGP matched by heavy atoms. Middle structures are rotated 90° so as to look down the peptide backbone. The Newman projections are of the acetyl and carboxylate along the improper dihedral angle on the most probable conformation. The histograms from the molecular dynamics show frequency vs. angle of the C(Acetyl)-N(Pro1)-Cα(Pro3)-COO(Pro3) improper dihedral angle. The angles are group between 0° and 360° in 20° bins. The solid lines are the Gaussian distributions.