Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSRGTRTFEIYRYDPDKD-KAPYMQTFKLELTDKHRMLLDALLALKVQ-DETLTFRRSCREGICGSDGVNINGKNGLACLQNLNDLPEKIV-IRPLPGLPVVKDLVVDMNQFYDQYDKIQPFLINNQPAP--PKERLQSPEEREHLNGLYECILCACCSTSCPSFWWNPDKFLGPSALLNAYRFIIDSRDTATAERLARLDDPFSLFRCKGIMNCVSVCPKGLNPTKAIGHIRNMLLDQAG 3AE1 Chain:B ((12-242)) -----KKFAIYRWDPDKTGDKPHMQTYEIDLNNCGPMVLDALIKIKNEIDSTLTFRRSCREGICGSCAMNINGGNTLACTRRIDTNLDKVSKIYPLPHMYVIKDLVPDLSNFYAQYKSIEPYLKKKDESQEGKQQYLQSIEEREKLDGLYECILCACCSTSCPSYWWNGDKYLGPAVLMQAYRWMIDSRDDFTEERLAKLQDPFSLYRCHTIMNCTGTCPKGLNPGKAIAEIKKMM-----

General information: TITO was launched using: RESULT: Template: 3AE1.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 : 1064 -22273 -20.93 -98.55 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain B : 0.88 3D Compatibility (PKB) : -20.93 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.88 QMean score : 0.507

(partial model without unconserved sides chains): PDB file : Tito_3AE1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3AE1-query.scw PDB file : Tito_Scwrl_3AE1.pdb: