Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MASIDNESIIKSVPQKGFFGHPRGLFTLFFTEFWERFSYYGMRAILLYYLYTET-VNGGLGFDKGTAVAIMSIYGSLVYMSTIIGGWLADRVFGTANTVFYGGIFIMFGHIALAYPG-SSIAFYISMVLIIVGTGLLKPNVSSVVGDLYTKEDP-RRDSGFSIFYMGINLGGLLAPLIVGTLGQKYNYHLGFGAAAVGMLLGLIVFALTRKKNLGLAGSNVPNPLSKKSAIGTGIGVIIVAIAVIISVQTGVLTIKRFIDLVSILGILIPVIYFIIMFTSKKADKTEKSRLAAYVPLFIGAVMFWAIQEQGATILAVYADERIRLSLGGFELQSSWFQSLNPLFVVIFAPIFAWLWMKLGKRQPSTPVKFSIGIILAGLSFIIMVFPAMQ-GKEALVSPLWLVLSFLLVVLGELCLSPVGLSVTTKLAPAAFSAQTMSMWFLTNAAAQAINAQVAGLFDKIPETMYFGTIGLISIVLGGILLLLSPVIKRAMKGVL 2XUT Chain:A ((13-500)) -----------------------QIPYIIASEACERFSFYGMRNILTPFLMTALLLSIPEELRGAVAKDVFHSFVIGVYFFPLLGGWIADRFFGKYNTILWLSLIYCVGHAFLAIFEHSVQGFYTGLFLIALGSGGIKPLVSSFMGDQFDQSNKSLAQKAFDMFYFTINFGSFFASLSMPLLLKNFGAAVAFGIPGVLMFVATVFFWLGRKRYIH--MPVEGKGNIGLVLALIGGVSAAYALVNIPTLGIVAGLCCAMVLVMGFVGAGASLQLERARKSHPDAAVDGVRSVLRILVLFALVTPFWSLFDQKASTWILQANDM----VKPQWFEPAMMQALNPLLVMLLIPFNNF---------VTALRKMGAGIAITGLSWIVVGTIQLMMDGGSALSIFWQILPYALLTFGEVLVSATGLEFAYSQAPKAMKGTIMSFWTLSVTVGNLWVLLANVSVKSPTVTEQIVQTGMSVTAFQMFFFAGFAILAAIVFA--

General information: TITO was launched using: RESULT: Template: 2XUT.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 : 1971 -277559 -140.82 -614.07 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -140.82 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.213

(partial model without unconserved sides chains): PDB file : Tito_2XUT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2XUT-query.scw PDB file : Tito_Scwrl_2XUT.pdb: