. Author manuscript; available in PMC: 2018 May 9.

Published in final edited form as: Appl Microbiol Biotechnol. 2018 Feb 2;102(5):2337–2350. doi: 10.1007/s00253-018-8792-0

Table 2.

Comparative analysis and prediction of the sixth A-domain of the cyclosporin C synthetase and closely related A-domains of other fungal nonribosomal peptides

Compound name	Position of A- domain	Stachelhaus codes^a	Stachelhaus prediction^b	NRPSpredictor2 prediction^c	NRPSpredictor3 prediction^b	PrediCAT^b	SANDPUMA^b	HMM prediction4^d	SEQL prediction^e	Final product^f
Cyclosporin C	6th	DAWFHSIAY	ABU	VAL\|LEU\|ILE\|ABU\|IVA	N/A	N/A	N/A	LEU	ABU-IVA	THR
Cyclosporin A	6th	DAWFHAVAY	ABU	VAL\|LEU\|ILE\|ABU\|IVA	N/A	ABU	ABU	LEU	ABU-IVA	ABU
Aureobasidin A	2nd, 7th, and 9th	DAWMFAAIL	VAL	VAL\|LEU\|ILE\|ABU\|IVA	N/A	N/A	N/A	LEU	VAL	Me-VAL
Bassianolide	2nd	DGYIIGGVF	N/A	VAL\|LEU\|ILE\|ABU\|IVA	TRP	N/A	nme-fhorn	LEU	LEU	Me-LEU
EnniatinA-C	2nd	DGWFIGIII	VAL	VAL\|LEU\|ILE\|ABU\|IVA	N/A	N/A	N/A	LEU	VAL	Me-VALMe-LEUMe-ILE
Beauvericin	2nd	DGYIMAAVM	N/A	VAL\|LEU\|ILE\|ABU\|IVA	N/A	N/A	N/A	LEU	VAL	Me-PHE
Leualacin	5th	DPWTYGAVV	N/A	VAL\|LEU\|ILE\|ABU\|IVA	PHE	N/A	PHE	LEU	ALA	Me-PHE
DestruxinA-F	5th	DAWFYGGTF	ILE\|LEU\|VAL	VAL\|LEU\|ILE\|ABU\|IVA	VAL	N/A	VAL	LEU	LEU	Me-ALA

Compound name	NRPSpredictor3 prediction^b	SANDPUMA^b	SEQL prediction^e	Identity^g	Species, strain	Reference
Cyclosporin C	N/A	N/A	ABU-IVA	100%	Amphichorda felinaTTI-0347	This work
Cyclosporin A	N/A	ABU	ABU-IVA	94%	Tolypocladium inflatum NRRL 8004	(Bushley et al. 2013)
Aureobasidin A	N/A	N/A	VAL	55%	Aureobasidium pullulans BP-1938	(Slightom et al. 2009)
Bassianolide	TRP	nme-fhorn	LEU	49%	Beauveria bassiana ATCC 7159	(Xu et al. 2009)
EnniatinA-C	N/A	N/A	VAL	53%	Fusarium equiseti	(Haese et al. 1993)
Beauvericin	N/A	N/A	VAL	50%	Beauveria bassiana ATCC 7159	(Xu et al. 2008)
Leualacin	PHE	PHE	ALA	50%	Hapsidospora irregularis	(Zhang et al. 2017a)
DestruxinA-F	VAL	VAL	LEU	49%	Metarhizium robertsii ARSEF 23	(Wang et al. 2012)

Me N-methyl

All the Stachelhaus codes were extracted by NRPSpredictor2 (except the 10th code of Lys₅₁₄) (Blin et al. 2017; Röttig et al. 2011; Stachelhaus et al. 1999)

Stachelhaus, NRPSpredictor3, PrediCAT, and SANDPUMA predictions were from http://fungismash.secondarymetabolites.org

NRPS predictor2: http://nrps.informatik.uni-tuebingen.de/Controller?cmd=SubmitJob

HMM prediction: http://www.cmbi.ru.nl/NRPS-PKS-substrate-predictor/

SEQL prediction: https://services.birc.au.dk/seql-nrps/

Final product means the amino acid in the final products

Blast: https://blast.ncbi.nlm.nih.gov/Blast.cg, and all the coverage is 100%