. 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 4.

Rank of predicted binding affinity of the target designed proteins using structure models with a lower quality.

Rank	Target protein	Patch-Surfer Score	Binding or not	RMSD (Å) ^a)
1	DIG5	0.592	Yes (205uM)	1.02
2	DIG13	0.614	No	3.31
3	DIG14	0.626	No	0.86
4	DIG9	0.645	No	2.80
5	DIG6	0.657	No	4.83
6	DIG4	0.675	No	0.36
7	DIG7	0.680	No	1.86
8	DIG8	0.688	No	3.35
9	DIG18	0.689	Yes	0.93
10	DIG2	0.696	No	3.83
11	DIG3	0.734	No	0.60
12	DIG10	0.742	Yes (8.9uM)	1.00
13	DIG12	0.742	No	0.48
14	DIG17	0.767	No	7.67
15	DIG19	0.768	Yes (541pM)	0.97
16	DIG1	0.988	No	0.91

^a)

RMSD between the model constructed using a low sequence identity template (the right column in Table 1) and the model using a high sequence identity template (the left columns in Table 1).