Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MITYVFPGQGSQKQGMGSGLFDE---FKELTDQADEILGYSIKRLCLENPYSNLNKTQFTQPALYVVNALSYLKKIRDEEVKPDFVAGHSLGEYNALFAAEAFDFETGLQLVRKRGELMS---LISNGGMAAVMGLNEEQVAKALKEYHLHDV-DIANVNAPYQIVISGKKDEIEKAASLFETM-TEVTMVLPLNVSGAFHSRYMNKAKEEFEEFLHAFYFSPPSIPVISNVYAKPYT-YEFMKQTLADQINHSVKWTDSISYLMKKGHMEFEEVGPGNVLTGLIHRIKKDAEAMPR 3TQE Chain:A ((9-300)) --AFVFPGQGSQHLGMLAELGLQQPIVLETFQQASSALAYDLWALVQHGPQERLDQTQFTQPALLTADVAIFRCWEALGGPKPQVMAGHSLGEYAALVCAGALKFEEAVKLVEKRGQYMQEAVPVGEGAMGAIIGLNEAEIESICENAALGQVVQPANLNSTDQTVISGHSEAVDRALNMAKTEGAKIAKRIPVSVPS--HCPLMQPAADRLAQDIAKISIDSPKVPVIHNVDVVDHNEANIIRGALIKQLVRPVRWVETIKYIEEQGIKVFMECGPDNKLAGLIKRIDRQSEILP-

General information: TITO was launched using: RESULT: Template: 3TQE.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 : 1706 -161959 -94.93 -572.29 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -94.93 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.535

(partial model without unconserved sides chains): PDB file : Tito_3TQE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3TQE-query.scw PDB file : Tito_Scwrl_3TQE.pdb: