Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKVVSLFSGIGGIELGLHQSGHTTEIFCEVDPLAKAVLSKNFPGVKIEDDINEIR--ELPSCDLVAAGFPCQDLSQAGGKEGIDGSRSGLVKKLFELIEKKEHANRPPWILIENVPYMLRLNRGKAMSYLTSVLSELGYTWAYRTVDARCFGLPQRRHRVILLASLFEDPKDVIFSQD-HSEPDLDGKPSVVDHS-----N-----------YYGFY----W----TEGLRGVGWAREAVPPIKCGS-SVG-IASPPA----------VWSPYEDIVGTINIRDAERLQGFPEDWTNITTETGKDIKEGARWRLVGNAVSVRVSKWIGENLSQPKGSISDFEGELVTKTWPSAAWGYGDKKYKVPVSKWVANTEQIAISEFLNHPLKPLSARALNGFLGRAARCTNVNYSDEFINSLERCKDRQLQKV 3UBT Chain:Y ((1-326)) MNLISLFSGAGGLDLGFQKAGFRIICANEYDKSIWKTYESNHSAKLIKGDISKISSDEFPKCDGIIGGPPSQSWSEGGSLRGIDDPRGKLFYEYIRILKQK----KPIFFLAENVKGMMAQRHNKAVQEFIQEFDNAGYDVHIILLNANDYGVAQDRKRVFYIGFRKELNINYLPPIPHLIKPTFKDVIWDLKDNPIPALDKNKTNGNKCIYPNHEYFIGSYSTIFMSRNRVRQWNEP-AFTVQASGRQCQLHPQAPVMLKVSKNLNKFVEGKEHLYRRLTVRECARVQGFPDDFI----FHY--ESLNDGYKMIGNAVPVNLAYEIAKTIKSALEI-------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3UBT.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain Y - contact count / total energy / energy per contact / energy per residue : 1551 -129500 -83.49 -451.22 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain Y : 0.68 3D Compatibility (PKB) : -83.49 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.357

(partial model without unconserved sides chains): PDB file : Tito_3UBT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3UBT-query.scw PDB file : Tito_Scwrl_3UBT.pdb: