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Table 1 Residues of the ICM-identified docking site for psWT and residues of the manually defined docking site for psWT and I805W:psWT 8R-LOX

From: Applying internal coordinate mechanics to model the interactions between 8R-lipoxygenase and its substrate

No. psWT (Manually defined) I805W:psWT (Manually defined) psWT (ICM-identified)
1 R555 R555 Q753
2 L758 L758 L754
3 L763 L763 H757
4 E766 E766 L758
5 I796 I796 H762
6 I799 I799 I796
7 G800 G800 D797
8 R801 R801 G800
9 L804 L804 L804
10 I805 W805 I810
11 I999 I999 V811
12 L1000 L1000 L815
13 I1066 I1066 T996
14    L1000
15    I1066
  1. There are 13 residues for both manually defined docking sites in psWT and I805W:psWT 8R-LOX. The mutation residue is bolded and italicized. In psWT 8R-LOX, the 10th residue is I805 while the mutant has W805. There are 15 residues for the ICM-identified docking site in psWT. The 6 common residues for the ICM-identified docking site and the manually defined docking site are underlined.