Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSRGTRTFEIYRYDPDK--DKAPYMQTFKLELTDKHRMLLDALLALKVQ-DETLTFRRSCREGICGSDGVNINGKNGLACLQNLN-DLPEKIVIRPLPGLPVVKDLVVDMNQFYDQYDKIQPFLINNQPAP--PKERLQSPEEREHLNGLYECILCACCSTSCPSFWWNPDKFLGPSALLNAYRFIIDSRDTATAERLARLDDPFSLFRCKGIMNCVSVCPKGLNPTKAIGHIRNMLLDQAG 1YQ4 Chain:B ((12-242)) -----KKFSIYRWDPDKPGDK-PRMQTYEVDLNKCGPMVLDALIKIKNELDSTLTFRRSCREGICGSCAMNIAGGNTLACTKKIDPDLSKTTKIYPLPHMYVVKDLVPDLSNFYAQYKSIEPYLKKKDESKQGKEQYLQSIEDRQKLDGLYECILCACCSTSCPSYWWNGDKYLGPAVLMQAYRWMIDSRDDYTEERLAQLQDPFSLYRCHTIMNCTRTCPKGLNPGKAIAEIKKMM-----

General information: TITO was launched using: RESULT: Template: 1YQ4.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 : 1065 -2702 -2.54 -12.01 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain B : 0.88 3D Compatibility (PKB) : -2.54 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.88 QMean score : 0.517

(partial model without unconserved sides chains): PDB file : Tito_1YQ4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1YQ4-query.scw PDB file : Tito_Scwrl_1YQ4.pdb: