Figure 3

Docking of fragment 1–18 of hen egg lysozyme onto the surface of a CNT. Panels A and B show models 1 and 2, respectively. Residues are shown as sticks colored by atom type: nitrogen, blue; oxygen, red; sulfur, dark yellow; carbon atoms are colored according to amino acids properties (green, hydrophobic; light green, alanine; blue, positively charged; red, negatively charged; cyan, histidine; yellow, glycine). The carbon atoms of the surface are shown as gray spheres. Labels are shown only for the residues making significant interaction with the surface (the corresponding binding energy values are shown in Table 2). Hydrogen bonds are shown as white dotted lines and corresponding distances are in Å.