Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLNILKNWKNQQTAASNLERYTKEDILKGEIPEHIAIIMDGNGRWAKKRSLPRIAGHHEGMKVVKRTTKLANELGVKVLTLYAFSTENWKRPKMEVDFLMKLPEEFLNTYLPELVEENVQVRIIGDETALPAHTLRAIEKAVQDTAQNDGMILNFALNYGGRTEIVSAAKSLAEKVKEGSLNIEDIDESLFSTYLMTESLQDPELLIRTSGEIRLSNFMLWQVAYSEFVFTDVLWPDFKEDHFLQALGEFQQRGRRFGGI 3SGV Chain:A ((20-238)) ---------------------------------HVAIIMDGNGRWAKKQGKIRAFGHKAGAKSVRRAVSFAANNGIEALTLYAFSSENWNRPAQEVSALMELFVWALDSEVKSLHRHNVRLRIIGDTSRFNSRLQERIRKSEALTAGNTGLTLNIAANYGGRWDIVQGVRQLAEKVQQGNLQPDQIDEEMLNQHVCMHELAPVDLVIRTGGEHRISNFLLWQIAYAELYFTDVLWPDFDEQDFEGALNAFAN--------

General information: TITO was launched using: RESULT: Template: 3SGV.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 : 956 -117579 -122.99 -536.89 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : -122.99 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.575

(partial model without unconserved sides chains): PDB file : Tito_3SGV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3SGV-query.scw PDB file : Tito_Scwrl_3SGV.pdb: