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Supplemental Figure S1. Details on homology modeling used to build KCS1 3D model.

A. B. C. D. E. 1bi5A ----------------------------------------------------------------------------------------------------MVS---VSEIRKAQRAEGPA 1fftA ----------------------------------------VDHK--RLGIM---YIIVAIVMLLRGFADAIMMRSQQALASAGEAGFLPPHHYDQIFTA----HGVIMIFFVAMPFVIGL

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Supplemental Figure S1. Details on homology modeling used to build KCS1 3D model.

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  1. A B C D E 1bi5A ----------------------------------------------------------------------------------------------------MVS---VSEIRKAQRAEGPA 1fftA ----------------------------------------VDHK--RLGIM---YIIVAIVMLLRGFADAIMMRSQQALASAGEAGFLPPHHYDQIFTA----HGVIMIFFVAMPFVIGL 1hnjA ---------------------------------------------------------------------------------------------------------------------MYT At1g01120 MERTNSIEMDRERLTAEMAFRDSSSAVIRIRRRLPDLLTSVKLKYVKLGLHNSCNVTTILFFLIILPLTGTVL-VQLT--------GLTFDTFSELWSNQAVQ---LDTATRLTCLVFLS CKCS ------------------------------------------------------------------------------------------------------------------------ NKCS MERTNSIEMDRERLTAEMAFRDSSSAVIRIRRRLPDLLTSVKLKYVKLGLHNSCN----------------------------------------------------------------- 1bi5A TILAIGTANPANCV-EQSTYPDFYFKITNSEHKT--ELKEKFQRMCDKSMIKRRYMYLTEEILKENPNVCEYMAPSLDARQDMVVVEVPRLGKEAAVKAIKEWGQPKSKITHLIVCTTSG 1fftA MNLVV------------------------------------------------------------------------------------------------------------------- 1hnjA KIIGTGSYLPEQVRTNADLEKMVDT--------------------------SDEWIVTRTG--------------IRERHIAAPNETVSTMGFEAATRAIEMAGIEKDQIGLIVVATTSA At1g01120 FVLTLYVANRSKPVYLVDFSCYKPEDERKISVDSFLTMTEENGSFTDDTVQFQQRISNRAGLGDETYLPRGITSTPPKLNMSEARAEAEAVMFGALDSLFEKTGIKPAEVGILIVNCSLF CKCS ------------------------------------------------------------------------------------------------------------------------ NKCS ------------------------------------------------------------------------------------------------------------------------ 1bi5A VDMPGADYQLTKLLGLR-PYVKRYMMYQQGFAGGTVLRLAKDLAENNKGARVLVVCSEVTAVTFRGPSDTHLDSLVGQALFGDGAAALIVGSDPVPEIEKPIFEMVWTAQTIAPDSEGAI 1fftA ------------------------------------------------------------------------------------------------------------------------ 1hnjA THAFPSAACQIQSM-LGIKGCPAFDVAAACAGFTYALSVADQYVKSGAVKYALVVGSDVLARTCDPTDRG-T-----IIIFGDGAGAAVLAASEEPGIISTHLHADGS----------YG At1g01120 NPTPSLSAMIVNHYKMREDIKSYNLGGMGCSAGLISIDLANNLLKANPNSYAVVVSTENITLNWYFGNDR-SMLLCNCIFRMGGAAILLSNRRQDRKKSKYSLVNVVRTHKGSDDKNYNC CKCS ------------------------------------------------------------------------------------------------------------------------ NKCS ------------------------------------------------------------------------------------------------------------------------ 1bi5A DGHLREAGLTFHLLKD-----------------------------VPGIVSKNITKALVEAFEPLGISDYNSIFWIAHPGGPAILDQVEQKLALKPEKMNATREVLSEYGNMSSACVLFI 1fftA ------------------------------------------------------------------------------------------------------------------------ 1hnjA ELLTLPNADRVNPENSIHLTM--------------------AGNEVFKVAVTELAHIVDETLAANNLDRSQLDWLVPHQANLRIISATAKKLGMSMDNVVVT---LDRHGNTSAASVPCA At1g01120 VYQKEDERGTIGVSLARELMSVAGDALKTNITTLGPMVLPLSEQLMFLISLVKRKMFKLKVKPYIPDFKLAFEHFCIHAGGRAVLDEVQKNLDLKDWHMEPSRMTLHRFGNTSSSSLWYE CKCS ------------------------------------------------------------------------------------------------------------------------ NKCS ------------------------------------------------------------------------------------------------------------------------ 1bi5A LDEMRKKSTQNGLKTTGEGLEWGVLFGFGPGLTIETVVLRSVAI------------------------* 1fftA --------------------------------------------------------------------* 1hnjA LDEAVR-------DGRIKPGQLVLLEAFGGGFTWGSALVRF---------------------------* At1g01120 MAYTEA-------KGRVKAGDRLWQIAFGSGFKCNSAVWKALRPVSTEEMTGNAWAGSIDQYPVKVVQ* CKCS ------------------------------------AVWKALRPVSTEEMTGNAWAGSIDQYPVKVVQ* NKCS --------------------------------------------------------------------* Supplemental Figure S1. Details on homology modeling used to build KCS1 3D model. (A) Best templates and associated parameters obtained after threading search on the full length sequence of KCS1 using the mGenThreader web server. The 2 alignments KCS1 - 1hnj_A and KCS1 – 1bi5_A generated by this web server were integrated to generate the alignment given in (E). (B) Best template and associated parameters obtained after threading search on the full length sequence of KCS1 using the INUB web server. (C) Parameters of 1hnj_A hit obtained after threading search on the full length sequence of KCS1 using the HHPred web server. (D) Best template and associated parameters obtained after threading search on residues 1 to 137 of KCS1 sequence using the HHPred web server. (E) Combined alignment of KCS1 and the different templates identified by threading and ab initio modeling, used as an input to generate KCS1 3D model. CKCS and NKCS refer to ab initio models generated for C terminal and N terminal ends of KCS1 respectively.

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