Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEKIIKEKISSLLSQEEEVLSVEQLGGMTNQNYLAKTTNKQYIVKFFGKGTEKLINRQDEKYNL-ELLKDLGLDVKNYLFDI--EAGIKVNEYIESAIT-LDS-TSIKTKFDKIAPILQTI---HTSAKELRGEFAPFEEIKKYESLIEEQIPYANY--ESVRNAVFSLEKRLADL---GVDRKSCHIDLVPENFIESPQGRLYLIDWEYSSMNDPMWDLAALFLE------SEFTSQEEETFLSHYE-----SDQTPVSHEKIAIYKILQDTIWSLWTVYKEEQGEDFGDYGVNRYQRAVKGLASYGGSDEK--- 2PPQ Chain:A ((5-320)) -TDITEDELRNFLTQYDVGSLTSYKGIAENSNFLLHTTKDPLILTLYEKK-----NDLPFFLGLMQHLAAKGLSCPLPLPRKDGELLGELSGRPAALISFLEGMWLRKPEAKHCREVGKALAAMHLASEGFEIKRPNALSVDGWKVLWDKSEERADEVEKGLREEIRPEIDYLAAHWPKDLPAGVIHADLFQDNVFFLGDELSGLIDFYFACNDLLAYDVSICLNAWCFEKDGAYNVTKGKALLEGYQSVRPLSEAELEALPLLSRGSALRFFLTRLYDWLTTPAGALVVKKDPLEYLRKLRFHRTIANVAEYGLA

General information: TITO was launched using: RESULT: Template: 2PPQ.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 : 1307 4919 3.76 17.38 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : 3.76 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.357

(partial model without unconserved sides chains): PDB file : Tito_2PPQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2PPQ-query.scw PDB file : Tito_Scwrl_2PPQ.pdb: