Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSRGTRTFEIYRYDPDK--DKAPYMQTFKLELTDKHRMLLDALLALKVQ-DETLTFRRSCREGICGSDGVNINGKNGLACLQNLNDLPEKIV-IRPLPGLPVVKDLVVDMNQFYDQYDKIQPFLINNQPAP--PKERLQSPEEREHLNGLYECILCACCSTSCPSFWWNPDKFLGPSALLNAYRFIIDSRDTATAERLARLDDPFSLFRCKGIMNCVSVCPKGLNPTKAIGHIRNMLLDQAG 4YXD Chain:B ((40-270)) -----KKFAIYRWDPDKTGDK-PHMQTYEIDLNNCGPMVLDALIKIKNEIDSTLTFRRSCREGICGSCAMNINGGNTLACTRRIDTNLDKVSKIYPLPHMYVIKDLVPDLSNFYAQYKSIEPYLKKKDESQEGKQQYLQSIEEREKLDGLYECILCACCSTSCPSYWWNGDKYLGPAVLMQAYRWMIDSRDDFTEERLAKLQDPFSLYRCHTIMNCTGTCPKGLNPGKAIAEIKKMM-----

General information: TITO was launched using: RESULT: Template: 4YXD.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1069 -10578 -9.89 -47.01 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain B : 0.88 3D Compatibility (PKB) : -9.89 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.88 QMean score : 0.515

(partial model without unconserved sides chains): PDB file : Tito_4YXD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YXD-query.scw PDB file : Tito_Scwrl_4YXD.pdb: