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. Author manuscript; available in PMC: 2012 Mar 17.
Published in final edited form as: J Phys Chem B. 2011 Feb 21;115(10):2465–2469. doi: 10.1021/jp111682x

Figure 3.

Figure 3

The reaction coordinate found in Ref. 6 is depicted by yellow residues (from front to back: residues 66, 65, 33, 32, 31, 106). The reaction coordinate found by kPCA’s prediction is depicted by red residues (from front to back: residue 64, clustered together are 35, 255, 161, 273, 136, 95 and at the back 192). Residue 31 which is common in both works, is shown as orange. The cofactor and substrate are shown in green color. The importance of the axis along which a compression takes place, has been preserved