Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -------MSKMQNLLAIANEVKEKHANFSISEVNDHCVRLAVFTGEYDWHHHPDSDELFIVLEGELLIDFKD---KETAVLKANDSLLIPKGTVHRTRSYVRTVNLCVEHKQAETVIIEEQPC----------------------------------------------------------- 1YFU Chain:A ((1-174)) MLTYGAPFNFPRWIDEHAHLLKPPVGNRQVWQDSDFIVTVVGGPNHRTDYHDDPLEEFFYQLRGNAYLNLWVDGRRERADLKEGDIFLLPPHVRHSPQR--------PEAGSACLVIERQRPAGMLDGFEWYCDACGHLVHRVEVQLKSIVTDLPPLFESFYASEDKRRCPHCGQVHPGRAA

General information: TITO was launched using: RESULT: Template: 1YFU.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 : 456 -25828 -56.64 -245.98 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : -56.64 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.448

(partial model without unconserved sides chains): PDB file : Tito_1YFU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1YFU-query.scw PDB file : Tito_Scwrl_1YFU.pdb: