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. Author manuscript; available in PMC: 2011 Jun 9.

Published in final edited form as: J Am Chem Soc. 2010 Nov 10;132(44):15661–15670. doi: 10.1021/ja105825a

Table 2.

Adenylation domain specificity predictions for all NPRS modules cloned from the CA megalibrary.

	CA37				CA915				CA878
	Observed Pocket	Closest Pocket	Closest Relative	Amino Acid	Observed Pocket	Closest Pocket	Closest Relative	Amino Acid	Observed Pocket	Closest Pocket	Closest Relative	Amino Acid
Mod1	DAFLLGLL	DAFLLGLL	Tcp-Mod1	Hpg	DAFLLGLL	DAFLLGLL	Tcp-Mod1	Hpg	DAFNLGLL	DAFLLGLL	Tcp-Mod1	Hpg
Mod2	DASTVAAV	DASTVAAV	A47-Mod2	Tyr	DASTVAAV	DASTVAAV	A47-Mod2	Tyr	DTSKVAAI	DTSKVAAI	Cep-Mod2	BHT
Mod3	DAYFSGSL	DAYFLGTL	Tcp-Mod3	Dpg	DAYFLGTL	DAFLLGLL	A47-Mod1	Hpg	DAYFQGTF	DAYFLGTL	Tcp-Mod3	Dpg
Mod4	DIFTLGLL	DIFHLGLL	Cep-Mod4	Hpg	DIFHLGLL	DIFHLGLL	Cep-Mod4	Hpg	DIFTLGLL	DIFHLGLL	Cep-Mod4	Hpg
Mod5	DALLLGLL	DALLLGVG	Tcp-Mod5	Hpg	DALLLGVG	DALLLGVG	Tcp-Mod5	Hpg	DAVLLGLL	DAVHLGLL	Cep-Mod5	Hpg
Mod6	DASTVAAV	DASTVAAV	A47-Mod2	Tyr	DASTVAAV	DASTIAGV	Tcp-Mod6	Tyr	DASTLGAI	DASTLGAI	Bal-Mod6	BHT
Mod7	DPYLGGTL	DPYLGGTL	Cep-Mod7	Dpg	DPYLGGTL	DPYLGGTL	Cep-Mod7	Dpg	DPYLGGTL	DPYLGGTL	Cep-Mod7	Dpg

Tcp= teicoplanin, A47=A47934, Cep, chloroeremomycin, Bal=balhimycin, Mod=module.