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. Author manuscript; available in PMC: 2013 Jan 23.

Published in final edited form as: Chembiochem. 2011 Dec 21;13(2):215–223. doi: 10.1002/cbic.201100600

The LRA/β group contributions for transferring the TS from R to S for the wild type CALA (a) and for mutants 3 (b), 4 (c) and 9 (d). The contribution is negative when the creation of the given residue from Gly stabilized the S TS and positive when the creation of the given residue stabilizes the R TS. Thus, for example, the finding that the group contribution for F233 in the wt is negative means that the LRA predicts that forming the F from G stabilized the S TS form. Now this is consistent with the fact that the F233G stabilized the R TS. The LRA contributions for other mutants are also given in the figure.

The LRA/β group contributions for transferring the TS from R to S for the wild type CALA (a) and for mutants 3 (b), 4 (c) and 9 (d). The contribution is negative when the creation of the given residue from Gly stabilized the S TS and positive when the creation of the given residue stabilizes the R TS. Thus, for example, the finding that the group contribution for F233 in the wt is negative means that the LRA predicts that forming the F from G stabilized the S TS form. Now this is consistent with the fact that the F233G stabilized the R TS. The LRA contributions for other mutants are also given in the figure.