Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSRGTRTFEIYRYDPDK--DKAPYMQTFKLELTDKHRMLLDALLALKVQ-DETLTFRRSCREGICGSDGVNINGKNGLACLQNLN-DLPEKIVIRPLPGLPVVKDLVVDMNQFYDQYDKIQPFLINNQPAP--PKERLQSPEEREHLNGLYECILCACCSTSCPSFWWNPDKFLGPSALLNAYRFIIDSRDTATAERLARLDDPFSLFRCKGIMNCVSVCPKGLNPTKAIGHIRNMLLDQAG 1YQ3 Chain:B ((12-242)) -----KKFSIYRWDPDKPGDK-PRMQTYEVDLNKCGPMVLDALIKIKNELDSTLTFRRSCREGICGSCAMNIAGGNTLACTKKIDPDLSKTTKIYPLPHMYVVKDLVPDLSNFYAQYKSIEPYLKKKDESKQGKEQYLQSIEDRQKLDGLYECILCACCSTSCPSYWWNGDKYLGPAVLMQAYRWMIDSRDDYTEERLAQLQDPFSLYRCHTIMNCTRTCPKGLNPGKAIAEIKKMM-----

General information: TITO was launched using: RESULT: Template: 1YQ3.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 : 1070 -4408 -4.12 -19.59 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain B : 0.88 3D Compatibility (PKB) : -4.12 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.88 QMean score : 0.531

(partial model without unconserved sides chains): PDB file : Tito_1YQ3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1YQ3-query.scw PDB file : Tito_Scwrl_1YQ3.pdb: