Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSFTRINGVLHAEQCSLEQLAQQFGTPLYVYSKAAFEKHYLDMDRAFDFIDHQICFAVKSNSNIAVLNVLAKLGAGFDIVSGGELARVLKAGGDASKIVFSGLGKTEADIETSLNVGIACFNVESYAELDRIQKVAARLGKKAPISLRVNPDVDAKTHPYISTGLKENKFGIPSDAVYETYQYAASLPNLEIVGIDCHIGSQLTETKPFVDALDRVIVMIDELKKLGINLKHIDIGGGLGVCYKDETPPSVEE--YANSMKPALEKLGLKVYMEPGRSISANAGVLLTKVDLLKPTTHRNFAIIDAAMNDLIRPALYEAWMDIQPVV-PRTDTEEKTWDLVGAICETGDFIGKDRSLA-LQENDLLTVLGAGAYGFVMSSNYNTRGRAAEVMVSGEKSYLIRERETVESLWEKERLLPEE 3VAB Chain:A ((26-433)) --FEYRNGVLHAENVSLPEIAKAVGTPFYVYSRATIERHFRVFHDAFADMDTLVTYALKANSNQAVLTALAKLGAGADTVSQGEIRRALAAGIPANRIVFSGVGKTPREMDFALEAGIYCFNVESEPELEILSARAVAAGKVAPVSLRINPDVDAKTHAKI---KSENKFGIPRDKARAAYARAASLPGLNVVGIDMHIGSQIIDLEPFDNAFALMAELVKELQADGHNIRHVDVGGGLGIPYRTP---PPPPVAYAQIVAKHIKPLGLKTVFEPGRLIVGNAGLLVTEVIFVKEGDAKNFVIVDAAMNDLIRPTLYDAFHDIRPVIMPNDNAPRIRADFVGPVCETGDYLGLDREVAKPAPGDLIAICTTGAYGAVLSSTYNSRLLIPEVLGDGERYHVVRPRRTYEEL----------

General information: TITO was launched using: RESULT: Template: 3VAB.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 : 2336 -151436 -64.83 -380.49 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.82 3D Compatibility (PKB) : -64.83 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.548

(partial model without unconserved sides chains): PDB file : Tito_3VAB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3VAB-query.scw PDB file : Tito_Scwrl_3VAB.pdb: