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. Author manuscript; available in PMC: 2008 Nov 1.
Published in final edited form as: J Mol Graph Model. 2007 Jul 14;26(4):800–812. doi: 10.1016/j.jmgm.2007.07.003

Figure 5.

Figure 5

The predicted binding pockets of adenine (top) and guanine (bottom) in the rMrgA receptor. All residues within 5 Å from the bound ligand are shown. The residue labels are colored according to the binding energy contributions from non bond interaction with the ligand:

red: more favorable than -10 kcal/mol contribution (best),

green: between -10 and -4 kcal/mol,

blue: less favorable than -4 kcal/mol (worst).

The hydrogen bonds are indicated by dotted lines with the distance between the donor and acceptor atoms. The number in parenthesis indicates the TM segment containing the residue.