Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNEADMLFSVTVPGSTANLGPGFDSVGMALSRYLKLTVFESDKWSFEAETETVAGIPAGTDNLIYQVAKRTADLYGKEMPPVHVKVWSDIPLARGLGSSAAAIVAAIELADELCGLKLSEAD-KLHLASLEEGHPDNAGASLVGGLVIGLHEDDETQMIRVPNADIDVVVVIPFYEVLTRDARDVLPKEFPYADAVKASAVSNILIAAIMSKDWPLVGKIMKKDMFHQPYRAMLVPELSKVEHVAEMKGAYGTALSGAGPTI-LVMTEKGKGEELKEQLALHFPHCEVDALTVPKEGSIIERNPLYQVKSV 3PYE Chain:A ((37-279)) ----------------------------AVSLVDEVTVRNADVLSLELVGEGADQLPTDERNLAWQAAELMAEHVGRA-PDVSIMIDKSIPVAGGMAGGSADAAAVLVAMNSLWELNVPRRDLRMLAARLGSDVP----FALHGGTALGTGRGEELATVLSRNT-FHWVLAFADSGLLTSAVYNELDRLREVGDPPRLGEPGPVL-AALAAGDPDQLAPLLGNEM--QAAAVSLDPALARALRAGVEAGALAGIVSGSGPTCAFLCTSASSAIDVGAQLS-------------------------------

General information: TITO was launched using: RESULT: Template: 3PYE.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 : 1137 -75663 -66.55 -313.95 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -66.55 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.479

(partial model without unconserved sides chains): PDB file : Tito_3PYE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3PYE-query.scw PDB file : Tito_Scwrl_3PYE.pdb: