Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLNILKNWKNQQTAASNLERYTKEDILKGEIPEHIAIIMDGNGRWAKKRSLPRIAGHHEGMKVVKRTTKLANELGVKVLTLYAFSTENWKRPKMEVDFLMKLPEEFLNTYLPELVEENVQVRIIGDETALPAHTLRAIEKAVQDTAQNDGMILNFALNYGGRTEIVSAAKSLAEKVKEGSLNIEDIDESLFSTYLMTESLQDPELLIRTSGEIRLSNFMLWQVAYSEFVFTDVLWPDFKEDHFLQALGEFQQRGRRFGGI 3UGS Chain:B ((4-225)) ----------------------------MNELKHLAVVMDGNR--------------SQGVKTMQKLMEVCMEENISNLSLFAFSTENWKRPKDEIDFIFELLDRCLDEALEKFEKNNVRLRAIGDLSRLEDKVREKITLVEEKTKHCDALCVNLAISYGARDEIIRAAKRVIEKK-------LELNEENLTQNLDL--PLDVDLMLRVGNAKRLSNFLLWQCSYAEIYFSETLFPSLTKREFKRIIKEFRNRERTFGK-

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 B - contact count / total energy / energy per contact / energy per residue : 918 -111941 -121.94 -538.18 target 2D structure prediction score : 0.76 Monomeric hydrophicity matching model chain B : 0.76 3D Compatibility (PKB) : -121.94 2D Compatibility (Sec. Struct. Predict.) : 0.76 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.575

(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: