Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPQDQHLGVDKAKILIEALPYIQRFSGKTLVVKYGGNAMTDPELESSFARDIVLLKTVGLNPIVVHGGGPQVDSFLKQLGRESDRIDGMRVTDEATMEVVEMVLGGSVNKSIVNLINKHGGRAIGLTGQDGNLLRARKLLMEKQEEDGSIKHIDLGMVGEVTGVKTDVLEMFTQSDFIPVIAPLGVDEKGNTYNINADLVAGKVAEALGAEKLILLTNISGVLDENKNLLTGLTTQEVDRLIETGVIYGGMIPKVGCALDAVKGGVVSAHIVDGRVPHATLLEIFTDHGVGTLISNRTQTTH 2BTY Chain:B ((3-281)) --------IDTVNVLLEALPYIKEFYGKTFVIKFGGSAMKQENAKKAFIQDIILLKYTGIKPIIVHGGGPAISQMMKDLGIEPVFKNGHRVTDEKTMEIVEMVLVGKINKEIVMNLNLHGGRAVGICGKDSKLIVAEKE----------TKHGDIGYVGKVKKVNPEILHALIENDYIPVIAPVGIGEDGHSYNINADTAAAEIAKSLMAEKLILLTDVDGVLKD-GKLISTLTPDEAEELIRDGTVTGGMIPKVECAVSAVRGGVGAVHIINGGLEHAILLEIFSRKGIGTMIKELE----

General information: TITO was launched using: RESULT: Template: 2BTY.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1490 -185668 -124.61 -665.48 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain B : 0.87 3D Compatibility (PKB) : -124.61 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.87 QMean score : 0.640

(partial model without unconserved sides chains): PDB file : Tito_2BTY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2BTY-query.scw PDB file : Tito_Scwrl_2BTY.pdb: