Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDLQLKEKLVLITGSTSGIGKAAAKSFLQEGAAVIVNGRKQETVDRTIEELSGYGTVHGAAADLSKTDEAAAFIE-KVNEIGDIDILVNNLGFFEVKDFADVTDEEWNQYFEVNVMSAVRTSRHFLPKMLAK-NSGRILNIASEAGVKPLPTMIPYSMTKTALISLSRGMAEMTKGTNVTVNSVLPGPTWTEGVASYMEGAAQAAGQDTDTFIKDYFKVNEPTSLIQRYATAEEVANTIVFLASDAASAINGTAQRVEGGIIRSL 3WDS Chain:A ((7-262)) -IFDLSGRKAIVTGGSKGIGAAIARALDKAGATVAIADLDVMAAQAVVAGL--ENGGFAVEVDVTKRASVDAAMQKAIDALGGFDLLCANAGVSTMRPAVDITDEEWDFNFDVNARGVFLANQIACRHFLASNTKGVIVNTASLAAKVGAPLLAHYSASKFAVFGWTQALAREMAPKNIRVNCVCPGFVKTAMQEREIIWEAELRGMTPEAVRAEYVS----LTPLGRIEEPEDVADVVVFLASDAARFMTGQGINVTGGVRM--

General information: TITO was launched using: RESULT: Template: 3WDS.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 : 1511 -84279 -55.78 -331.81 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -55.78 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.531

(partial model without unconserved sides chains): PDB file : Tito_3WDS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3WDS-query.scw PDB file : Tito_Scwrl_3WDS.pdb: