Table 1. Experimental validation of top-ranked predictions.

Name	Sequence	Ranking	Experimental
		(out of 2166)	()
kCAL01	Ac-WQVTRV	9	†
kCAL02	Ac-WQFTRL	‡	†
kCAL03	Ac-WQKTRL	2	†
kCAL04	Ac-WQRTRL	5	†
kCAL05	Ac-WQKTRI	4	†
kCAL06	Ac-WQKTRV	1
kCAL07	Ac-WQFTKL	‡
kCAL08	Ac-WQRTRI	7
kCAL09	Ac-WQLTKL	11
kCAL10	Ac-WQKTKL	6
kCAL11	Ac-WQRTRV	3

†: values with a binding affinity higher than the best previously known hexamer (). These sequences are shown in green in Fig. 5.

‡: Sequence rank obtained by ordering the quantity: , where is the sequence rank from a design run using the Amber forcefield and is the sequence rank from a run using the Charmm forcefield.