Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKISFSESQKLFAYFSGLIAALSLFIYYVSAQQSEGALILCITFGVIAAGIWFGPIYALAVTLIVLFVLGTLMMFFQTGQTSLFPAEEGLRMLVVWGIALLLFSFISGRIHDITAELRRSMTRLQSEIKSYVAVDRVTGFDNKQRMKLELSEEIKRAERYGNSFVFLLLHMHYFKEFKSLYGEKETDRLFQYVGQQIRTSVRETDKKFRPSDERIGIVLTHTPAEHMPAVLTKLKKQLDTYQLE-NGKYVSLTFHVCYLPYRNDIQTADQFLEELENEMMMNEL-------- 3HVA Chain:A ((266-427)) ----------------------------------------------------------------------------------------------------------------------------------VSSQDPVTGLYNRSHFLDLMDAAVQQAVTARKPSTLAYIHLNGYPSLQADHGLSGIDLLLGQLAGLMREQFGEEADLARFGDSIFAALFKGKTPEQAQAALQRLLKKVENHLFELNGRSAQATLSIGVAGLDEKTAKAQDVMNRAHRCADDAARKGGSQIKQ

General information: TITO was launched using: RESULT: Template: 3HVA.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 : 724 -87739 -121.19 -573.45 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.54 3D Compatibility (PKB) : -121.19 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.54 QMean score : 0.609

(partial model without unconserved sides chains): PDB file : Tito_3HVA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3HVA-query.scw PDB file : Tito_Scwrl_3HVA.pdb: