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More Great Information on Pattern Motif:
Strength of CH···π interactions in the C‐terminal subdomain of villin headpiece (Med Worm)
AbstractThe relative free energies of the folded structures of the seven model
peptides with PLX (X = W, Y, F, H, and A) and ALX (X = W and A) sequences to
the corresponding extended structures are calculated using the density
functional methods in water in order to evaluate the relative strengths of
CH···π interactions, especially proline aromatic interactions for the PLX
motif of the C‐terminal subdomain of villin headpiece. It has been found that
the Pro···π contacts for the folded structures of the PLW, PLY, PLF, and PLH
peptides have in common a geometric pattern having the edge of the Pro ring
interacting with the face of the aromatic ring, as found for functionally
important Pro residues in proteins. At the M06‐2X/cc‐pVTZ//SMD
M06‐2X/6‐31+G(d) level of theory, the ...