Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKALIPKQHGAWAMLLIPFLLGMVKGGPVIWHIPLF---------LGWLFLYLAVYPVTLALKKKQSKPYQKWMCYYGFPTCCF--------LMISVFHKPPLIWVGVSLLPLFLIHMYFARRKNERALLNDVAGVLFFCSGGFASCWLG--------------MGTLDGWAWFIFLQSALFFIGSSFYVKSVIRERKNRAFAYWSWGYHLLLPFLSALFGAGWAFLAFIPSSLRAWFFHGRDWPVKTIGILEIVNACFFLAVMCLFITR------- 4Q2E Chain:A ((29-290)) ITASVVAPFVVLCFVSYESLIGLVSAILILAGYELITLEMKERDARFFYVILLALYPVLYGLVFEEPTQPLSILFITGVVFSLITDKDPSQVFKTVAAFSIALIYVTFFLSFFLPIYRDF---GAANALLVLTSTWVFDSFAYFTGLKFGRTRISPRYSPRKSLEGVIGGFLGVVIYTFLYRLVVNDLLSVNVICFRTFLPFA----ATVAIMDTFGDIFECALKRHYGVKDSGKTLPGHG--------GMLDRIDGLLFVAPVSYIVFKILEGVVR

General information: TITO was launched using: RESULT: Template: 4Q2E.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 : 826 -139334 -168.68 -622.02 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -168.68 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.142

(partial model without unconserved sides chains): PDB file : Tito_4Q2E.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4Q2E-query.scw PDB file : Tito_Scwrl_4Q2E.pdb: