Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFKIKKKKLFIPIIILVLTAFLALIGYISIIFLGHYVIDEKKLILHASSKIVDQNGDEVASLYTENR-EPVSINEIPKQVREAFIAVEDKRFYEHHGIDAKSVGRAVYRDILAGGKVEGGSTITQQLAKNIFLTHDKTFLRKTKEVIIAINLERDYSKDKLLEMYLNQLYFGHGVYGIQAASHYYFNKEVKDLTVSEGAVLAAIPKAPSTYSPILHPDKNKERRDTILGMMNDQGYISAKEAVTAQGRTLGLHVKKQSETP------------WFDSYIDLVIKEAEDKYSISGEQL---LQGGYTIKVPLDSKLQKTAYQVMKEGSYYPGTDQNAEGSAVFINNKTGGVEAAIGGRDYTS-KGYNRVTAVRQPGSTFKPLAVYGPAMQEKKFKPYSLLKDELQSYGD-YTPKNYDSRYEGEVTMSDAITYSKNAPAVWTLNEI----GVETGKSYLKANGIDIP-DEGLALALGGLEKGVSPLQLAGAFHTFAANGTYTEPFFISSIIDEDGETIADHKEEGKRVFSKQTSWNMTRMLQQVVKKGTATSGTYHG----DLAGKTGSTSYTGVS--------GATKDAWFAGYTPKITGAVWMGYDKTDQ---NHYL-KAGSSYPTRLFKDILTQ-AGETGHVFTKPKNVKELESPIELKPVKTLTADYTFKAAGLFTIELKWDAQEDDRAVYRIYVNKDGEETLLDSVEGKGSYEIPYANLFSGASYKIVPYNTQTKREGEGTDYVQPKLFSS 3DWK Chain:D ((8-602)) ------------------------------------------------AKIYDKNGELVKTLD---RHEHVNLKDVPKSMKDAVLATEDNRFYEHGALDYKRLF---------------ASTLTQQVVKDAFLSQHKSIGRKAQEAYLSYRLEQEYSKDDIFQVYLNKIYYSDGVTGIKAAAKYYFNKDLKDLNLAEEAYLAGLPQVPNNYNIYDHPKAAEDRKNTVLYLMHYHKRITDKQWEDA--KKIDLKANLVNRTPEERQNIDTNQDSEYNSYVNFVKSELMNNKAFKDENLGNVLQSGIKIYTNMDKDVQKTLQNDVDNGSFYKNKDQQV--GATILDSKTGGLVAISGGRDFKDVVNRNQATDPHPTGSSLKPFLAYGPAIENMKWATNHAIQDESSYQVDGSTFRNYDTKSHGTVSIYDALRQSFNIPALKAWQSVKQNAGNDAPKKFAAKLGLNYEGDIGPSEVLGGSASEFSPTQLASAFAAIANGGTYNNAHSIQKVVTRDGETI-EYDHTSHKAMSDYTAYMLAEMLKGTFKPYGSAYG--HGVSGVNMGAKTGTGTYGAETYSQYNLPDNAAKDVWINGFTPQYTMSVWMGFSKVKQYGENSFVGHSQQEYPQFLYENVMSKISSRDGEDFKRPSSV--------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3DWK.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 3143 -110139 -35.04 -205.10 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain D : 0.73 3D Compatibility (PKB) : -35.04 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.398

(partial model without unconserved sides chains): PDB file : Tito_3DWK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3DWK-query.scw PDB file : Tito_Scwrl_3DWK.pdb: