Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSKQILILAGDGIGPEIVGAAEKVLNKVNEKFNLSLTWEHGLLGGAAIDAHGEPYPAVTSEQAKKADAILLGAVGGPKWDTIERSIRPERGLLKIRSELNLFANLRPAILYPQLADASSLKPEIVAGLDILIVRELTGGIYFGQPRGIRELENGEKQGYNTDVYSESEIKRIAKVAFELAGLRGGKVCSVDKANVLEVTELWKQTVTDLQQANYPNIQLSHMYVDNAAMQLVRAPKQFDVIVTGNLFGDILSDEAAMLTGSIGMLPSASLDENGKGMYEPCHGSAPDIAGQNVANPLATILSVAMMLRYTFREEAAAKAIEDAVGQVLDQGLRTADIMSEGMTKVGTAEMGEAVVAALA 3U1H Chain:A ((3-355)) --KKIAVLPGDGIGPEVMEAAIEVLKAVAERFGHEFEFEYGLIGGAAIDEAGTPLPEETLDVCRGSDAILLGAVGGPKWDQNPSELRPEKGLLGIRKGLDLFANLRPVKVYDSLADASPLKKEVIEGVDLVIVRELTGGLYF---------EEGEEAAVDTLLYTREEIERIIRKAFELALTRKKKVTSVDKANVLESSRLWREVAEEVAK-EYPDVELEHMLVDNAAMQLIRNPRQFDVIVTENMFGDILSDEASMITGSLGMLPSASLSTDGLGLYEPVHGSAPDIAGKGIANPLATILSAAMMLRYSFGLEEEAKAIEKAVEKVLAEGYRTADIAKPGGKYVSTTEMTDEVKAAV-

General information: TITO was launched using: RESULT: Template: 3U1H.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 : 1977 -209945 -106.19 -606.78 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.87 3D Compatibility (PKB) : -106.19 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.87 QMean score : 0.619

(partial model without unconserved sides chains): PDB file : Tito_3U1H.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3U1H-query.scw PDB file : Tito_Scwrl_3U1H.pdb: