Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLNILKNWKNQQTAASNLERYTKEDILKGEIPEHIAIIMDGNGRWAKKRSLPRIAGHHEGMKVVKRTTKLANELGVKVLTLYAFSTENWKRPKMEVDFLMKLPEEFLNTYLPELVEENVQVRIIGDETALPAHTLRAIEKAVQDTAQNDGMILNFALNYGGRTEIVSAAKSLAEKVKEGSLNIEDIDESLFSTYLMTESLQDPELLIRTSGEIRLSNFMLWQVAYSEFVFTDVLWPDFKEDHFLQALGEFQQRGRRFGGI 3UGS Chain:A ((8-224)) --------------------------------KHLAVVMDGNR----------------GVKTMQKLMEVCMEENISNLSLFAFSTENWKRPKDEIDFIFELLDRCLDEALEKFEKNNVRLRAIGDLSRLEDKVREKITLVEEKTKHCDALCVNLAISYGARDEIIRAAKRVIEKKLE--LNEENLTQNL-------DLPLDVDLMLRVGNAKRLSNFLLWQCSYAEIYFSETLFPSLTKREFKRIIKEFRNRERTFG--

General information: TITO was launched using: RESULT: Template: 3UGS.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 : 877 -104277 -118.90 -518.79 target 2D structure prediction score : 0.76 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -118.90 2D Compatibility (Sec. Struct. Predict.) : 0.76 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.539

(partial model without unconserved sides chains): PDB file : Tito_3UGS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3UGS-query.scw PDB file : Tito_Scwrl_3UGS.pdb: