Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNIQRETSGHIAAIVTILIWGTTFISTKVLLADFSPMEILFYRFLMGFIALILVRPNMIPFRNWRQELLFAGAGLFGVTLYFLLENIALTYTYASNVGMIVSIIPMITAVLAHFLLEGEKLRLTFLIGFISALIGLLLITFNGNVVLRLNPLGDIMAAGAALVFGGYSIFMKKLSAYEYHIIELTQRVFLYGLLFMVPALFLFDFHFDLSRFSSASNILNMLFLGIGASALCFATWNYSVGVLGAVKSSAYIYMVPVITIAASVLILHENMTWIALLGGALTLLGLYISELKPKAKLLENGCKMDA 3WGU Chain:G ((32-48)) -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------IFAALAFIVGLIIILSK--------------

General information: TITO was launched using: RESULT: Template: 3WGU.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain G - contact count / total energy / energy per contact / energy per residue : 2 -174 -86.75 -10.21 target 2D structure prediction score : 0.88 Monomeric hydrophicity matching model chain G : 0.37 3D Compatibility (PKB) : -86.75 2D Compatibility (Sec. Struct. Predict.) : 0.88 1D Compatibility (Hydrophobicity) : 0.37 QMean score : 0.397

(partial model without unconserved sides chains): PDB file : Tito_3WGU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3WGU-query.scw PDB file : Tito_Scwrl_3WGU.pdb: