Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MANGTDKKTYEAAVAAFIKENKPKRQVVYDDLSNQLATPFTLNADEMDKLIQKIEDAGISVVDENGDPSIHSLKSAEKKAEQAKTEDLSAPTGVKINDPVRMYLKEIGRVSLLTAEEEVALALKIEEGDQEAKQRLAEANLRLVVSIAKRYVGRGMQFLDLIQEGNMGLMKAVEKFDYRKGFKFSTYATWWIRQAITRAIADQARTIRIPVHMVETINKLIRIQRQLLQDLGREPTPEEIGAEM--DLPTEKVREILKIAQEPVSLETPIGEEDDSHLGDFIEDQEATSPAEHAAYELLKEQLEDVLDTLTDREENVLRLRFGLDDGRTRTLEEVGKVFGVTRERIRQIEAKALRKLR-HPSRSKQLKDFLE 5D4E Chain:F ((194-443)) --------------------------------------------------------------------------------------------------------------------------LHIAREGEAARQHLIEANLRLVVSIAKKYTGRGLSFLDLIQEGNQGLIRAVEKFEYKRRFKFSTYATWWIRQAINRAIADQARTIRIPVHMVETINKLSRTARQLQQELGREPTYEEIAEAMGPGWDAKRVEETLKIAQEPVSLETPIGDEKDSFYGDFIPDEHLPSPVDAATQSLLSEELEKALSKLSEREAMVLKLRKGLIDGREHTLEEVGAFFGVTRERIRQIENKALRKLKYHESRTRKLRDFLD

General information: TITO was launched using: RESULT: Template: 5D4E.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain F - contact count / total energy / energy per contact / energy per residue : 661 -319 -0.48 -1.29 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain F : 0.79 3D Compatibility (PKB) : -0.48 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.627

(partial model without unconserved sides chains): PDB file : Tito_5D4E.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5D4E-query.scw PDB file : Tito_Scwrl_5D4E.pdb: