Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -MKTQYFFLFPKIDQKKNGLVFALLKRAKILNEQLGISPTIITTEYDRSLAENYWSLIATNLAPPSIGYLNLYADFQGTHLKLANKKI-HDPAIEMFNSNILKTIIPFTYNQRFHDKNNKNYLYEIRQNDSITLRYVNTFKKGVKTGRIIYDSYGYLSCIQVINPENQMIITETYYHTEGYPVIIKNYQLNEKNKNIVSNIFLFNKQGVINEVFETESQLIQYWFLKISQLYENDLMYILIDRAIHFYEPLREIKQENMRFIGTIHATHLNGHDIQNSTI--NRHYRSYFKYSNELDALVILTERQKQHIQQRFGM-EEKLFVIPHIYEKTIDHVNFSN--RDPMFCLTIARYDKAKNLDSLIRIFKKVVEVIPNAYLNIYGFGSEHNFLQSQIDEHQLNNHIKLMGYNENTDALYNKASLFLFSSRSEGFGMAVLEALCHGCPVVSYDIDYGPSDMIKHDENGYLV-------TFQDEESFAQKVVSLLKDEHKRLKLSENAYACIQLTDQKQFALKWQELFQAIQ-- 4PQG Chain:A ((6-511)) HHHMTIYNINLGIGWASSGVEYAQAYRAGVFRKLNLSSKFIFT---DMILADN-IQHLTANIGFDDNQVIWLYNHF--TDIKIAPTSVTVDDVLAYFGGEESHREKNGKVLRVFFFDQDKFVTCYLVDENKDLVQHAEYVFKGNLIRKDYFSYTRYCSEYFAPKDNVAVLYQRTFYNEDGTPVYDILMNQGKEEVYHFKDKIFYGKQAFVRAFMKS------------LNLNKSD--LVILDRETGIGQVVFEEAQ-TAHLAVVVHAEHYSENATNEDYILWNNYYDYQFTNADKVDFFIVSTDRQNEVLQEQFAKYTQHQPKIVTIPVGSIDSLTDSSQGRKPFSLITASRLAKEKHIDWLVKAVIEAHKELPELTFDIYGSGGEDSLLREIIANHQAEDYIQLKGHAELSQ-IYSQYEVYLTASTSEGFGLTLMEAIGSGLPLIGFDVPYGNQTFIEDGQNGYLIPSSSDHVEDQIKQAYAAKICQLYQ-ENRLEAMRAYSYQIAEGFLTKEILEKWKKTVEEVLHD

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 : 2646 41157 15.55 83.99 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : 15.55 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.433

(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: