Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSKQILILAGDGIGPEIVGAAEKVLNKVNEKFNLSLTWEHGLLGGAAIDAHGEPYPAVTSEQAKKADAILLGAVGGPKWDTIERSIRPERGLLKIRSELNLFANLRPAILYPQLADASSLKPEIVAGLDILIVRELTGGIYFGQPRGIRELENGEKQGYNTDVYSESEIKRIAKVAFELAGLRGGKVCSVDKANVLEVTELWKQTVTDLQQANYPNIQLSHMYVDNAAMQLVRAPKQFDVIVTGNLFGDILSDEAAMLTGSIGMLPSASLDENGKGMYEPCHGSAPDIAGQNVANPLATILSVAMMLRYTFREEAAAKAIEDAVGQVLDQGLRTADIMSEGMTKVGTAEMGEAVVAALA 4WUO Chain:B ((4-322)) --MKVAVLPGDGIGPEVTEAALKVLRALDEAEGLGLAYEVFPFGGAAIDAFGEPFPEPTRKGVEEAEAVLLGSVGGPKWDGLPRKIRPETGLLSLRKSQDLFANLRPAKVFPGLERLSPLKEEIARGVDVLIVRELTGGIYFGEPRGMSEAE-----AWNTERYSKPEVERVARVAFEAARKRRKHVVSVDKANVLEVGEFWRKTVEEVGR-GYPDVALEHQYVDAMAMHLVRSPARFDVVVTGNIFGDILSDLASVLPGSLGLLPSASLG-RGTPVFAPVHGSAPDIAGKGIANPTAAILSAAMMLEHAFGLVELARKVEDAVAKAL-------------------------------

General information: TITO was launched using: RESULT: Template: 4WUO.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 : 1824 -196326 -107.63 -615.44 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain B : 0.84 3D Compatibility (PKB) : -107.63 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.572

(partial model without unconserved sides chains): PDB file : Tito_4WUO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4WUO-query.scw PDB file : Tito_Scwrl_4WUO.pdb: