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. Author manuscript; available in PMC: 2011 May 18.
Published in final edited form as: Langmuir. 2010 May 18;26(10):7396–7404. doi: 10.1021/la904415d

Figure 4.

Figure 4

Ramachandran plots for the dihedral angles of the mid-chain guest residue (X) from the biased-REMD simulations for X = valine (V), threonine (T), and aspartic acid (D). The dihedral distribution of the guest residue obtained from high resolution Protein Data Bank crystal data is shown in the first row. The second and fourth rows depict the dihedral distribution of the guest residue in the bulk (16 Å < SSD < 28 Å) over the CH3 and OH SAM surfaces. The third and fifth rows show the behavior of the guest residue near the SAM surface (SSD < 8 Å).