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. Author manuscript; available in PMC: 2017 Mar 27.
Published in final edited form as: J Chem Inf Model. 2016 Dec 7;56(12):2378–2387. doi: 10.1021/acs.jcim.6b00095

Table 1. α-CTx MII Mutant Ligand Library, Defined as a Base Peptide and a Set of Mutation Constraints.

mutable residue substitutable amino acids
G1 G A V L I M W F
S4 S T Y N Q D E K R H
N5 S T Y N Q D E K R H
V7 G A V L I M W F
H9 S T Y N Q D E K R H
L10 G A V L I M W F
E11 S T Y N Q D E K R H
H12 S T Y N Q D E K R H
S13 S T Y N Q D E K R H
N14 S T Y N Q D E K R H
L15 G A V L I M W F