Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEEKQHYSPGLDGVIAAETHISYLDTQSSQILIRGYDLIELSETKSYLELVHLLLEGRLPEESEMETLERKINSASSLPADHLRLLELLPEDTHPMDGLRTGLSALAGYDRQIDDRSPSANKERAYQLLGKMPALTAASYRIINKKEPILPLQTLSYSANFLYMMTGKLPSSLEEQIFDRSLVLYSEHEMPNSTFAARVIASTHSDLYGALTGAVASLKGNLHGGANEAVMYLLLEAKTTSDFEQLLQTKLKRKEKIMGFGHRVYMKKMDPRALMMKEALQQLCDKAGD--HRLYEMCEAGERLMEK---EKGLYPNLDYYAAPVYWMLGIPIPLYTPIFFSARTSGLCAHVIEQHANNRLFRPRVSYMGPRYQTKS 1VGP Chain:A ((6-361)) ---------GLEDVYVKETEITYIDGELGRLYYRGYSIYDLAEFSNFEEVSYLILYGKLPNREELNWFQEKLREERYLPDFIIKFLREVRKDAQPMDILRTAVSLLGIEDSKNDERTDI----KGIKLISKFPTIVANYARLRKGLDIIEPDPKLSHSENFLYMLYGDRPNEIKSKAMDVTLILHIDHEMNASTFASLVVASTFSDLYSSIVAGISALKGPLHGGANYEALKMFKEIGSPEKVNDYILNRLSNKQRIMGFGHRVY-KTYDPRARILKQYAKLLAEKEGGEIYTLYQIAEKVEEIGIKYLGPKGIYPNVDFFSSIVFYSLGFEPDFFPAVFASARVVGWVAHIMEYIKDNKIIRPKAYYKG-------

General information: TITO was launched using: RESULT: Template: 1VGP.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 : 1852 -158231 -85.44 -450.80 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : -85.44 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.529

(partial model without unconserved sides chains): PDB file : Tito_1VGP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1VGP-query.scw PDB file : Tito_Scwrl_1VGP.pdb: