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. Author manuscript; available in PMC: 2017 Jun 27.
Published in final edited form as: J Chem Inf Model. 2015 Dec 30;56(6):1088–1099. doi: 10.1021/acs.jcim.5b00625

Table 2.

Rank of predicted binding affinity of the target designed proteins using Patch-Surfer.

Rank Target protein Patch-Surfer Score a) Binding or not
1 DIG5 0.592 Yes (205μM)
2 DIG8 0.653 No
3 DIG19 0.684 Yes (541 pM)
4 DIG10 0.686 Yes (8.9 μM)
5 DIG18 0.688 Yes b)
6 DIG9 0.702 No
7 DIG2 0.711 No
8 DIG3 0.723 No
9 DIG13 0.724 No
10 DIG6 0.729 No
11 DIG7 0.752 No
12 DIG4 0.785 No
13 DIG12 0.789 No
14 DIG17 0.802 No
15 DIG14 0.847 No
16 DIG1 0.963 No

Eight targets in bold (DIG5 to DIG3 in the table) were predicted to bind the target ligand.

a)

A small Patch-Surfer score indicates that the putative binding pocket is similar to the reference steroid binding pocket.

b)

The binding affinity of this protein is not available because it was not reported in the paper by Tinberg et al. 29.