Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MYSTHRSKTICSKMARAFPGYSVMFF-----MHKKTLVLLLSTFCASTYIHAKTDCYPSSPPVVKQLDQVYYGMNNLRIFYTTSSDNALTFQQDKNLNHIPDYVENIAIQANSIRKAWSVLGYQ--DPLNSPRYKNDVKYIDIQIQKLNGLGL-AYDEPHRHINNPLK----KNACALIILISNNIPNLTTNSSLIAHELF-------HLYTYGYTMFKQPWLTESLAAWSEGIIRKDKLG-----IYGQRNLPENEEDFEKYVLQRTYRTSQLWNRLTTLIDRSDGKLFLPLSLMQQKYTDG----QPVFQDKYLKGTLFIRKFLENLGRQ---DQKISVLNNWNLYHWNEIDQNSAHFNEQILDTLLITLESTVERNIEKNKFKNLLKKIVKNKKTN 4KPP Chain:A ((2-396)) -DFTKEKFQLLAISSLTLPWLISLAFNYHHPALTQTLLSGLAVVSASFLISWAAETAEMDVP--RSFSLAIVALLAVLPEYAVDGYFAWKAGSVGGEYVHYATANMTGANRLLIGIGWSLVAFIAFRTLKSKEVELD-DGIRLEIFFLFLATLYAFTLPLKGHISPFDALVFVSLYAIYIYLSTKAEREEVEVGGVPAYLCSLKTETRRLSVVVLFLFAGFTILMSVEAFSEGLLETARIAGIDEFLAVQWIAPLASESPELIVAIYFVRRFRVSASMNALISSKVNQWTLLIGTIAIIYSISAFKLQSLPLDARQSEEVLLTAAQSLFAVAILLDLKISWKEASALFLLFIVQLLFPGVEVRYIISAIYIILSLPILFAKRKEIVESFRTVKRLISLE

General information: TITO was launched using: RESULT: Template: 4KPP.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 : 1843 -68827 -37.34 -189.08 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -37.34 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.192

(partial model without unconserved sides chains): PDB file : Tito_4KPP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4KPP-query.scw PDB file : Tito_Scwrl_4KPP.pdb: