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:B ((8-602)) ------------------------------------------------AKIYDKNGELVKTLD-GQRHEHVNLKDVPKSMKDAVLATEDNRFYEHGALDYKRLFGAIGKNLTGGFGSEGASTLTQQVVKDAFLSQHKSIGRKAQEAYLSYRLEQEYSKDDIFQVYLNKIYYSDGVTGIKAAAKYYFNKDLKDLNLAEEAYLAGLPQVPNNYNIYDHPKAAEDRKNTVLYLMHYHKRITDKQWEDA--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 B - contact count / total energy / energy per contact / energy per residue : 3236 -120164 -37.13 -216.90 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain B : 0.74 3D Compatibility (PKB) : -37.13 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.372

(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: