Figure 10.

Autodock (a) and Pymol (b) diagrams show that CTI interacts with the polar head of PC as shown in balls-cartoon-lines (CTI) and cartoon-sticks (PC) representations. CTI binds to the phospholipid membrane surface in a vertical orientation with the 2nd and 3rd loops involved in the initial interaction with the membrane which is followed by the complete surrounding of the CTI surface by phospholipids. The PC molecule is presented in the Autodock diagram as lines and in the Pymol diagram as green sticks. Atoms of K2, K5, K12 and K44, which are exposed away from the CTI surface and presumably drive long-distance electrostatic interactions with neighboring membranes, are shown in lines. Atoms of amino acid residues interacting with PC are shown as balls and lines (Autodock). Amino acid residues exposed away from the CTI surface and residues interacting with PC within CTI are identified by one letter amino acid abbreviations. In Pymol, atoms of amino acid residues interacting with PC on the front surface of CTI are shown as pink squares. Intermolecular bonds in the Pymol diagram are shown as yellow broken lines. Types of bonds are described in yellow letter sentences both in the Autodock and Pymol diagrams.