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. Author manuscript; available in PMC: 2010 Apr 1.
Published in final edited form as: Proteins. 2009 Apr;75(1):168–186. doi: 10.1002/prot.22226

Table VI.

The seventeen compounds predicted to bind to the CCP W191G mutant that are not present in the original set.a

ID Compound Energy
Minimized
Score 2ANZ
(kcal/mol)
ID Compound Energy
Minimized
Score 2ANZ
(kcal/mol)
A graphic file with name nihms-75660-t0010.jpg -28.96 J graphic file with name nihms-75660-t0011.jpg -23.71
B graphic file with name nihms-75660-t0012.jpg -26.20 K graphic file with name nihms-75660-t0013.jpg -23.17
C graphic file with name nihms-75660-t0014.jpg -26.16 L graphic file with name nihms-75660-t0015.jpg -22.51
D graphic file with name nihms-75660-t0016.jpg -25.63 M graphic file with name nihms-75660-t0017.jpg -21.47
E graphic file with name nihms-75660-t0018.jpg -24.43 N graphic file with name nihms-75660-t0019.jpg -20.91
F graphic file with name nihms-75660-t0020.jpg -24.39 O graphic file with name nihms-75660-t0021.jpg -19.48
G graphic file with name nihms-75660-t0022.jpg -24.30 P graphic file with name nihms-75660-t0023.jpg -18.34
H graphic file with name nihms-75660-t0024.jpg -23.88 Q graphic file with name nihms-75660-t0025.jpg -17.77
I graphic file with name nihms-75660-t0026.jpg -23.78