Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFTKVLIANRGEIAMRIIRTCSRLGIKTVAVYSEADKDAPHTKAATEAYLIGESRVSESYLNIERIIKTAKKAKADAIHPGYGLLSENSRFAERCKQENIVFIGPSPDIIAKMGSKIEARKAMEAAGVPVVPGV--SESLGDIEAACRTASQIGYPVMLKASAGGGGIGMQRVENEEALKKAYEGNKKRAADFFGDGSMYIEKVIEHARHIEVQLLADQHGHTVHLFERDCSVQRRHQKVIEEAPSPFVDDELRMKIGQTAVKAAKAIGYTNAGTIEFIVDQ-KQNFYFLEMNTRLQVEHPVTEEITGLDLVEQQLRIAAGHTLTFSQKDIQRNGHAIEVRIYAEDPK-TFFPSPGTITAFSLPDQKGVRHECAVAKDSTVTPFYDPMIAKMIVKGQTRTEAIEKLETALRDYRVEGIKTNLPLLIQAAATKAFKEGDVTTDFLKQHL 2VPQ Chain:A ((2-444)) --KKVLIANRGEIAVRIIRACRDLGIQTVAIYSEGDKDALHTQIADEAYCVGPTLSKDSYLNIPNILSIATSTGCDGVHPGYGFLAENADFAELCEACQLKFIGPSYQSIQKMGIKDVAKAEMIKANVPVVPGSDGLM--KDVSEAKKIAKKIGYPVIIKATAGGGGKGIRVARDEKELETGFRMTEQEAQTAFGNGGLYMEKFIENFRHIEIQIVGDSYGNVIHLGERDCTIQRRMQKLVEEAPSPILDDETRREMGNAAVRAAKAVNYENAGTIEFIYDLNDNKFYFMEMNTRIQVEHPVTEMVTGIDLVKLQLQVAMGDVLPYKQEDIKLTGHAIEFRINAENPYKNFMPSPGKIEQYLAPGGYGVRIESACYTNYTIPPYYDSMVAKLIIHEPTRDEAIMAGIRALSEFVVLGIDTTIPFHIKLLNNDIFRSGKFNTNFLEQN-

General information: TITO was launched using: RESULT: Template: 2VPQ.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 : 2668 -8219 -3.08 -18.72 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.84 3D Compatibility (PKB) : -3.08 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.576

(partial model without unconserved sides chains): PDB file : Tito_2VPQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2VPQ-query.scw PDB file : Tito_Scwrl_2VPQ.pdb: