Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTIRHPTRDTDILRLLQMLGIEASRIVEYRHGIAARNFHIVCMDGTTRVVRYDTRRTAADIRED-RMLGT--LAVRNGINAPTGNWLIHELGNATVVIRQHLAG-TTLAELPPATWPDARRLGEVLRS-IHEFPQPVIARKFFYAPVLDMLDRQWQTIRDAVASIAETADLAALLRYALQQFDHATEIETLRLSPTGLIHGDFTPANILIHEHGLTVL-DWEKSCIGPVCADIAQSLYYFTAHSSKI--GIFATSFLEGYGKPDWYKPDVIKAWMTLHPAFILLTDAANTFINQRLPLPARNPHREAYFRDVSVPRYRAYLAHQRDLLSIVS 2PPQ Chain:A ((5-320)) ----TDITEDELRNFLTQYDV--GSLTSYKGIAENSNFLLHTTKDPLILTLYEKKNDLPFFLGLMQHLAAKGLSCPLPLPRKDGELL-GELSGRPAALISFLEGMWL----RKPEAKHCREVGKALAAMHLASEGFEIKRP--NALSVDGWKVLWDKSEERADEVEK-----GLREEIRPEIDYLAAHWPKDL-PAGVIHADLFQDNVFFLGDELSGLIDFYFACNDLLAYDVSICLNAWCFEKDGAYNVTKGKALLEGYQSVRPLSEAELEALPLLS-RGSALRFFLTRLYDWLTTPAGALVVKKDPLEYLRKLRFHRTIANVAEYG--LA

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 : 1454 -31743 -21.83 -105.11 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -21.83 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.375

(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: