Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MCCFVVYGGVLNMSDKKTSLVICFTPLQMLIAEKIVAQQPSVDLIVIALNNNDKYKYYYNIFQHPN--IAKQYYLFDNNKSRFFKFINIIKFNENFKLEKFYENIYISSIDNKYTHNILSKVNFNNLYTYDDGTANIVKNSIYFKQTFESKLKDIVLKLIGIRFNLNKIKKLSRKHYT----IYKGIQNIVEQTEYVSIIEKKEEDRNIFID---QEIKIFLGQPLKDIDKNFDTLALKKLLVMEEVNYHFKHPRETDEAFFEEIKT-SYIFEDFFAKELSKYRKVII-------YTLSSTAALNIISLDNVEIRLIKNNTVEIKYPDLVQLFIKSGATVIDMDSIK----------------------------------------------------------------------------------------- 4ZUZ Chain:A ((8-864)) DVIKFKEPERCDYLYVDENNKVHILLPIVGGDEIGLDNTCQTAVELITFFYGSAHSGVTKYSAEHQLSEYKRQLEEDIKAINSQKKISPHAYDDLLKEKIERLQQIEKYIELIQVLKKQYDEQNDIRQLRTGGIPQLPSGVKEIIKSSENAFAVRLSPYDNDKFTRFDDPLFNVKRNISKYDTPSRQAPIPIYEGLGYRLRSTLFPEDKTPTPINKKSLRDKVKSTVLSHYKDEDRIDGEKKDEKLNELITNLQNELVKELVKSDPQYSKLSLSKDPRGKEINYDYLVNSLMLVDNDSEIGDWIDTILDATVDSTVWAVQASSPFYQGAKEISSDRDADKISIRVQYLLAEANIYCKTNKLSDANFGEFFDKEPHATEIAKRVKEGFTQGADIEPIIYDYINSNHAELGLKSPLTGKQQQEITDKFTKHYNTIKESPHFDEFFVADPDKKGNIFSHQGRISCHFLDF--FTRQTKGKH-------PLGDLASHQEALQEGT-----------------SNRLHHKNEVVAQGYEKLDQFKKEVVKLLA------ENKPKELLDYLVATSPTGVPNYSMLSK-ETQNYIAYNRNWPAIQKELEKATSIPESQKQDLSRLLSRDNLQHDNLSAITWSKYSSKPLLDVELNKIAEGLELTAKIYNEKRGREWWFAGSRNEARKTQCEELQRVSKEINTLLQSESLTKSQVLEKVLNSIETLDKIDRDISAESNWFQSTLQKEVRLFRDQLKDICQLDKYYFKSTKLDEIISLEMEEQFQ------KIQDPAVQQIVRDLPSHCHNDEAIEFFKTLNPEEAAKVASYLSLEYREINKSTDKKTLLEQDIPRLFKEVNTQLLSKLKEEKAIDEQVHEKLSQLADKIAPEHFTRNNIIKWST

General information: TITO was launched using: RESULT: Template: 4ZUZ.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 835 43684 52.32 150.12 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : 52.32 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.348

(partial model without unconserved sides chains): PDB file : Tito_4ZUZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4ZUZ-query.scw PDB file : Tito_Scwrl_4ZUZ.pdb: