. Author manuscript; available in PMC: 2018 Feb 22.

Published in final edited form as: J Am Chem Soc. 2017 Feb 13;139(7):2541–2544. doi: 10.1021/jacs.6b10792

Table 2.

Populated ensembles of conformations resulting from clustering the BRIKARD sampling results.

Mutant	Conformations	Mutant	Conformations
WT^a	5	V6I^a	5
C2A	600	V6L^a	4
C2S	591	V6S^a	5
T3A	5	C7A	253
T3M	5	C7S	264
T3S^a	5	T8A^a	5
T4A	355	T8G^a	7
T4L	380	T8I^a	5
T4M	442	T8L^a	4
T4S	384	T8M^a	4
T4Dha^a	7	T8S^a	5
C5A	290	T8V^a	5
C5S	340	C9A	501
V6A^a	5	C9S	486

Active mutant.