Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSRGTRTFEIYRYDPDKD-KAPYMQTFKLELTDKHRMLLDALLALKVQ-DETLTFRRSCREGICGSDGVNINGKNGLACLQNLNDLPEKIV-IRPLPGLPVVKDLVVDMNQFYDQYDKIQPFLINNQPAP--PKERLQSPEEREHLNGLYECILCACCSTSCPSFWWNPDKFLGPSALLNAYRFIIDSRDTATAERLARLDDPFSLFRCKGIMNCVSVCPKGLNPTKAIGHIRNMLLDQAG 3AEF Chain:B ((12-242)) -----KKFAIYRWDPDKTGDKPHMQTYEIDLNNCGPMVLDALIKIKNEIDSTLTFRRSCREGICGSCAMNINGGNTLACTRRIDTNLDKVSKIYPLPHMYVIKDLVPDLSNFYAQYKSIEPYLKKKDESQEGKQQYLQSIEEREKLDGLYECILCACCSTSCPSYWWNGDKYLGPAVLMQAYRWMIDSRDDFTEERLAKLQDPFSLYRCHTIMNCTGTCPKGLNPGKAIAEIKKMM-----

General information: TITO was launched using: RESULT: Template: 3AEF.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 : 1074 -20051 -18.67 -88.72 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain B : 0.88 3D Compatibility (PKB) : -18.67 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.88 QMean score : 0.514

(partial model without unconserved sides chains): PDB file : Tito_3AEF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3AEF-query.scw PDB file : Tito_Scwrl_3AEF.pdb: