Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRTSPRMKWFVLLFTFVFAIGMNSFRNSFQFFMLPMADAFHADRSLISVSVSIFMITTGIVQFFVGFFIDR-FSVRKIMALGAVCISASFLVLPYSP--NVHVFSAIYGVLGGIG-YSCAVGVTTQYFISCWFDTHKGLALAILTNANSAGLLLLSPIWAAAPYHAGWQSTYTILGIVMAAVLLPLLVFGMKHPPHAQ--AETVKKSYDWRGFWNVMKQSRLIHILYFGVFTCGFTMGIIDAHLVPILKDAHV-------------SHVNGMMAAF---GAFIIIGGLLAGWLSDLLGSRS---VMLSILFFIRLLSLICLLIPILGIHHSDLWYFGFILLFGLSYTGVIPLTAASISESYQTGLIGSLLGINFFIHQVAGALSVYAGGLFFDMT------HGYLLIVAVCIVFVGLSAVIELVPFLDKQKAKETHHSI------------------------ 2XUT Chain:A ((13-500)) ---QIPYIIASEACERFSFYGMRNILTPFLMTALLLSIPEELRGAVAKDVFHSFVIGVYFFPLLGGWIADRFFGKYNTILWLSLIYCVGHAFLAIFEHSVQGFYTGLFLIALGSGGIKPLVSSFMGDQFDQSNKSLAQKAFDMFYFTINFGSFFASLSMPLLLKNFGAAVAFGIPGVLMFVATVFFWLGRKRYIHMPVEGKGNIGLVLALIGGVSAAYALVNIPTLGIVAGLCCAMVLVMGFVGAGASLQLERARKSHPDAAVDGVRSVLRILVLFALVTPFWSLFDQKASTWILQANDMVKPQWFEPAMMQALNPLLVMLLIPFNNFVTALRKMGAGIAITGLSWIVVGT----IQLMMDGGSALSIFWQILPYALLTFGEVLVSATGLEFAYSQAPKAMKGTIMSFWTLSVTVGNLWVLLANVSVKSPTVTEQIVQTGMSVTAFQMFFFAGFAILAAIVFA

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 : 1654 -287528 -173.84 -717.03 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -173.84 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.207

(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: