Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKHSILISGAAQGIGAEIARVFYQRGYKVGIYDINESLAQNLAQELGPNACAGYLDVSDYSQWQHILKEFTDWAGELNILVNNAGILYSGAFENIDIKSHQRTININVNGVINGCHAALPYLKQASFARVINLSSASAIYRQADLISYSASKFAVRGITEGLDVEWKKYGIRVLDVMPLFVQTAMVNNM----DAGSIQN--MGVDLTPNDIAQQVLSLVEGFVAQTF 2HSD Chain:A ((6-223)) --KTVIITGGARGLGAEAARQAVAAGARVVLADVLDEEGAATARELGDAARYQHLDVTIEEDWQRVVAYAREEFGSVDGLVNNAGISTGMFLETESVERFRKVVEINLTGVFIGMKTVIPAMKDAGGGSIVNISSAAGLMGLALTSSYGASKWGVRGLSKLAAVELGTDRIRVNSVHPGMTYTPMTAETGIRQGEGNYPNTPMGRVGEPGEIAGAVVKLL--------

General information: TITO was launched using: RESULT: Template: 2HSD.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 : 1136 -103556 -91.16 -488.47 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -91.16 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.383

(partial model without unconserved sides chains): PDB file : Tito_2HSD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2HSD-query.scw PDB file : Tito_Scwrl_2HSD.pdb: