Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKSYMTQRLDEYRDGNEDKGRLLVSCPDQPGIVSAVSAFLFEHGANIIESNQYTTDPEGGRFFLRIEFDCAGIREKKSSLQAAFASVAEKFDMTWSLTLASELKRVAIFVSKELHCLHELIWEWQTGNLMAEIAVVISNHEEARELVERLNIPFHYMKANKDIRAEVEKKQLELLEQYDVDVIVLARYMQILTPDFVSAHPNRIINIHHSFLPAFIGANPYKRAYERGVKLIGATSHYVTNDLDEGPIIEQDIERVDHRDNAEALKNIGRTIERSVLARAVKWHLEDRVIVHENKTIVFN 3N0V Chain:A ((6-284)) -----------------DTWILTADCPSMLGTVDVVTRYLFEQRCYVTEHHSFDD-RQSGRFFIRVEFRQPDDF-DEAGFRAGLAERSEAFGMAFELTAPNHRPKVVIMVSKADHCLNDLLYRQRIGQLGMDVVAVVSNHPDLEPLAHWHKIPYYHFALDPKDKPGQERKVLQVIEETGAELVILARYMQVLSPELCRRLDGWAINIHHSLLPGFKGAKPYHQAYNKGVKMVGATAHYINNDLDEGPIIAQGVEVVDHSHYPEDLIAKGRDIECLTLARAVGYHIERRVFLNANRTVV--

General information: TITO was launched using: RESULT: Template: 3N0V.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 : 1358 -222951 -164.18 -799.11 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -164.18 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.532

(partial model without unconserved sides chains): PDB file : Tito_3N0V.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3N0V-query.scw PDB file : Tito_Scwrl_3N0V.pdb: