Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLNILKNWKNQQTAASNLERYTKEDILKGEIPEHIAIIMDGNGRWAKKRSLPRIAGHHEGMKVVKRTTKLANELGVKVLTLYAFSTENWKRPKMEVDFLMKLPEEFLNTYLPELVEENVQVRIIGDETALPAHTLRAIEKAVQDTAQNDGMILNFALNYGGRTEIVSAAKSLAEKVKEGSLNIEDIDESLFSTYLMTESLQDPELLIRTSGEIRLSNFMLWQVAYSEFVFTDVLWPDFKEDHFLQALGEFQQRGRRFGGI 3TH8 Chain:B ((20-239)) ---------------------------------HVAIIMDGNGRWAKKQGKIRAFGHKAGAKSVRRAVSFAANNGIEALTLYAF---------------MELFVWALDSEVKSLHRHNVRLRIIGDTSRFNSRLQERIRKSEALTAGNTGLTLNIAANYGGRWDIVQGVRQLAEKVQQGNLQPDQIDEEMLNQHVCMHELAPVDLVIRTGGEHRISNFLLWQIAYAELYFTDVLWPDFDEQDFEGALNAFANR-------

General information: TITO was launched using: RESULT: Template: 3TH8.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 : 912 -113094 -124.01 -551.68 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain B : 0.78 3D Compatibility (PKB) : -124.01 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.550

(partial model without unconserved sides chains): PDB file : Tito_3TH8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3TH8-query.scw PDB file : Tito_Scwrl_3TH8.pdb: