Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKTQYFFLFPKIDQKKNGLVFALLKRAKILNEQLGISPTIITTEYDRSLAENYWSLIATNLAPPSIGYLNLYADFQGTHLKLANKKIHDPAIEMFNSNILKTIIPFTYNQRFHDKNNKNYLYEIRQNDSITLRYVNTFKKGVKTGRIIYDSYGYLSCIQVINPENQMII--TETYYHTEGYPV--IIKNYQLNEKNKNIVSNIFLFNKQGVINEVFETESQLIQYWFLKISQLYENDLMYILIDRAIHFYEPLREIKQENMRFIGTIHATHLNGHDIQNSTI--NRHYRSYFKYSNELDALVILTERQKQHIQQRFGM----EEKLFVIPHIYEKTIDHVNFSN--RDPMFCLTIARYDKAKNLDSLIRIFKKVVEVIPNAYLNIYGFGSEHNFLQSQIDEHQLNNHIKLMGYNENTDALYNKASLFLFSSRSEGFGMAVLEALCHGCPVVSYDIDYGPSDMIKHDENGYL-------VTFQDEESFAQKVVSLLKDEHKRLKLSENAYACIQLTDQKQFALKWQELFQAIQ 4PQG Chain:A ((156-508)) ------------------------------------------------------------------------------------------------------------------------------------------------------------CSEYFAPKDNVAVLYQRTFYNEDGTPVYDILMN-QGKEEVYHFKDKIF-YGKQAFVRA------------FMKSLNLNKSDL--VILDRETGIGQVVFEEAQ-TAHLAVVVHAEHYSENATNEDYILWNNYYDYQFTNADKVDFFIVSTDRQNEVLQEQFAKYTQHQPKIVTIP---VGSIDSLTDSSQGRKPFSLITASRLAKEKHIDWLVKAVIEAHKELPELTFDIYGSGGEDSLLREIIANHQAEDYIQLKGHAE-LSQIYSQYEVYLTASTSEGFGLTLMEAIGSGLPLIGFDVPYGNQTFIEDGQNGYLIPSSSDHVEDQIKQAYAAKICQLYQ-ENRLEAMRAYSYQIAEGFLTKEILEKWKKTVEEV-

General information: TITO was launched using: RESULT: Template: 4PQG.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 : 1582 8921 5.64 26.71 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : 5.64 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.491

(partial model without unconserved sides chains): PDB file : Tito_4PQG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4PQG-query.scw PDB file : Tito_Scwrl_4PQG.pdb: