Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MANGTDKKTYEAAVAAFIKENKPKRQVVYDDLSNQLATPFTLNADEMDKLIQKIEDAGISVVDENGDPSIHSLKSAEKKAEQAKTEDLSAPTGVKINDPVRMYLKEIGRVSLLTAEEEVALALKIEEGDQEAKQRLAEANLRLVVSIAKRYVGRGMQFLDLIQEGNMGLMKAVEKFDYRKGFKFSTYATWWIRQAITRAIADQARTIRIPVHMVETINKLIRIQRQLLQDLGREPTPEEIGAEMDLPTEKVREILKIAQEPVSLETPIGEEDDSHLGDFIEDQEATSPAEHAAYELLKEQLEDVLDTLTDREENVLRLRFGLDDGRTRTLEEVGKVFGVTRERIRQIEAKALRKLRHPSRSKQLKDFLE 4KN4 Chain:Y ((375-609)) -----------------------------------------------------------------------------------------------------------------------------------AKKEMVEANLRLVISIAKKYTNRGLQFLDLIQEGNIGLMKAVDKFEYRRGYKFSTYATWWIRQAITRSIADQARTIRIPVHMIETINKLNRISRQMLQEMGREPTPEELAERMLMPEDKIRKVLKIAKEPISMETPIGDDEDSHLGDFIEDTTLELPLDSATTESLRAATHDVLAGLTAREAKVLRMRFGIDMNTDYTLEEVGKQFDVTRERIRQIEAKALRKLRHPSRSEVLRS---

General information: TITO was launched using: RESULT: Template: 4KN4.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain Y - contact count / total energy / energy per contact / energy per residue : 619 -74535 -120.41 -317.17 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain Y : 0.79 3D Compatibility (PKB) : -120.41 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.651

(partial model without unconserved sides chains): PDB file : Tito_4KN4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4KN4-query.scw PDB file : Tito_Scwrl_4KN4.pdb: