Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---MSTAGRYKHVVKLGEGTYG-SVYKGTEIQTGKVVAFKRMVVTSDDEGVPGAAIREICLLKEL-RHDNVVDLFEVLFEPPKITMIFELCDCDLKRFMESRPKRLLDAEAEMRPILKQIFIGLEYLHSRSVVHRDMKPQNIFVNVRAPDFAALTASPSSRQDHLQPPPFSGVPTAVGGDVQSAAGSDGRPNPFAGADSVPPWEAAAAAPSNTPNQLIVKIGDFGLARVEEIPVKKYSHEVVTLWYRSPDVLMGSALYSYPVDIWSMGAIFFEMAT-SKVLFSGRHEDEQLLRMFWLLGSPTRETWPSMLSYPGAMERLERASRAAAERPDLRFGSEVYVQQQQ-QPPSSQSHSGGRAPDLLTQIAHKRFYHSLKAIQQREESARSSSNTYQLPVELWFDRPLFGEYMSATGFDSCVTAEGVNLLRQCLLYEPNHRITAAAAVRHAYLHAVSVPTAGALDVLMTSLLQTMEACHLL----------------- 2RIO Chain:A ((8-434)) NFEQSLKNLVVSEKILGYGSSGTVVFQGS--FQGRPVAVKRML-----IDFCDIALMEIKLLTESDDHPNVIRYYCSETTDRFLYIALELCNLNLQDLVESKY--------NPISLLRQIASGVAHLHSLKIIHRDLKPQNILVSTS--------------------------------------------------------SRFTADQQTGAENLRILISDFGLCKKLDSTSGWRAPELL----EESNNLQTKRRLTRSIDIFSMGCVFYYILSKGKHPFGDKYSRESNIIR----GIFSLDEMKCLHDRSLIAEATDLISQMIDHDPLKRPTAMKVLRHPLFWPKSKKLEFLLKVSDRLEIENRDPPSALLMKFDAGSDFVIPSGDWTVKFDKTFMDRKYHSS-------------KLMDLLRALRNKYHHFMDLPEDIAEL-----MGPVPDGFYDYFTKRFPNLLIGVYMIVKENLSDDQILREFLYS

General information: TITO was launched using: RESULT: Template: 2RIO.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 1791 -25666 -14.33 -68.99 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -14.33 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.343

(partial model without unconserved sides chains): PDB file : Tito_2RIO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2RIO-query.scw PDB file : Tito_Scwrl_2RIO.pdb: