Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSLLLEPSKEQIKEEKLYQQMGVSDDEFALIESILGRLPNYTEIGIFSVMWSEHCSYKNSKPILRKFPTSGERVLQGPGEGAGIVDIGDNQAVVFKIESHNHPSALEPYQGAATGVGGIIRDVFSMGARPIAVLNSLRFGELTSPRVKYLFEEVVAGIAGYGNCIGIPTVGGEVQFDSSYEGNPLVNAMCVGLINHEDIKKGQAKGVGNTVMYVGAKTGRDGIHGATFASEEMSDSSEEKRSAVQVGDPFMEKLLLEACLEVIQCDALVGIQDMGAAGLTSSSAEMASKAGSGIEMNLDLIPQRETGMTAYEMMLSESQERMLLVIERGREQEIIDIFDKYDLEAVSVGHVTDDKMLRLTHKGEVVCELPVDALAEEAPVYHKPSQEPAYYREFLETDVPAPQIEDANEMLKALLQQPTIASKEWVYDQYDYMVRTNTVVAPG-SDAGVLRIRGTKKALAMTTDCNARYLYLDPEVGGKIAVAEAARNIICSGAEPLAVTDNLNFGNPEKPEIFWQIEKAADGISEACNVLSTPVIGGNVSLYNESNGTAIYPTPVIGMVGLIEDTAHITTQHFKQAGDLVYVIGETKPEFAGSELQKMTEGRIYGKAPQIDLDVELSRQKALLDAIKKGFVQSAHDVSEGGLGVAIAESVMTTENLGANVTVE-GEAALLFSESQSRFVVSVKKEHQAAFEAT----VKDAVHIGEVTADGILAIQNQDGQQMIHAQTKELERVWKGAIPCLLKSKA 3VIU Chain:A ((6-725)) ------------------KEIGIPEGEYREIVQRLGREPNRVELLLFKVMWSEHCAYKNSRPLLKALPKEGEAVLQGPGENAGVVRVGEGWAVAFKIESHNHPSAVEPFQGAATGVGGILRDIMSMGARPIALLDSLRFGPPEEARSRYLLKGVVSGIAFYGNAIGVPTVGGDLYFHEGYRENPLVNAMCLGLLREE-HLKRSRASLGRPIYYAGAKTGRDGI----------------------VGDPFLGKLLMEATLEAIELDLVEGVQDMGAAGLTSSLSELAHKSGLGVELHLDLVPTREEGMTPEELLLSESQERMVLVPKEGKEKALEEVFGRWGLDCVPVARTIPERVFRVLFRGEVVAEVPTEALA-EAPTYVRVGREDPEVRRLRET-PIPPLEADPQEVLRRLLASPNLASREAVYERYDHQVGTRTALLPGKGDAAVLWIKGTRLGVAAKVDQNPRYSRLHPRLGAMHALAEACRNVSVVGAKPLAYTDGLNLGSPETPEGYHELAETIAGLKEASEALGVPVVSGNVSLYNESGGKRIPPTAMVGVVGVLEV-DKRAEMGFRRPGEVLLLIGEERGELGASEVLYLLTGKEFGHPPRLDLGREKAVQEAIRDLIQRGLTRTAHDVAEGGLLLALAEMTFPY-GVGATVEVREEGLEALFGEAPSRVLFTVEKTRLQEATLLLEERGLPYRVLGETGGKS-LTVL-TPG-GVLEWSLEELLSAWKAPLREVLDG--

General information: TITO was launched using: RESULT: Template: 3VIU.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 : 4646 -344969 -74.25 -498.51 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.83 3D Compatibility (PKB) : -74.25 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.515

(partial model without unconserved sides chains): PDB file : Tito_3VIU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3VIU-query.scw PDB file : Tito_Scwrl_3VIU.pdb: