Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMKLKNLVLNTDQVANAILKNWNHDENSLNFWRGSANYVYFFTLKGDRYWLRFSRKDENSLEQIKAEIEFLLYLKENNFSAVYPIISNNHRYIEVVEDEGETYYAVVFNKAEGV-NLEIEDMTEAEFECWGKSLASLHRLSKTFRPKEHVR---NSWKQVLEVTSDILSDFPNEQNAKDELKKVEKWLKSLPVTNENYGLIHYDFELDNVFFNKQSRLFKAIDFDSSMYHWYVMDIACTLGDLNELDSPKAEDGLKHFLKGYRSINGIEEEFIDLLPKFERFDNLISFAKLLRSLQDSSFPSEPEWLKRLRPRLLKKCDEYRKGFEKAW 4R78 Chain:A ((38-277)) ------------------------EVLSVEQLGGMTNQNYLAKTTNKQYIVKFFGKGTEKLINRQDEKYNLELLKDLGLDVKNYLFDIE-----------AG--IKVNEYIESAITLDST-SIKTKFDKIAPILQTIHTSAKELRGEFAPFEEIKKYESLIE---EQIP-YANYESVRNAVFSLEK---RLADLGVDRKSCHIDLVPENFIESPQ-GRLYLIDWEYSSMNDPMWDLAALFLESEF-----TSQEEETFLSHYESDQTPVSH--EKIAIYKILQDTIWSLWTVY------------------------------------

General information: TITO was launched using: RESULT: Template: 4R78.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 : 1054 -1555 -1.47 -6.59 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -1.47 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.322

(partial model without unconserved sides chains): PDB file : Tito_4R78.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4r78-query.scw PDB file : Tito_Scwrl_4R78.pdb: