Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTNFILNENKQLSLAIEDENIENFYIDGTDLVRKIIRRSGSGVTSRVPVLSTQDLENKNLHELYDESWLRMKNRPNTELTTESINIADLFSGCGGLSLGVWEACRALGINPRFSFACDLNEAALSVYEKNFSPDFSLNESIEKHINGELGAPLTVEEQRIKDKVKKIDFILAGPPCQGHSDLNNHTRRKDPRNALLMRVSRVIELFQPSSVLVENVPGIIHDKSG-SFKEFKNHLKTQGYYFDEIVLNAEKLGVSQARRRYFIFASKTPVSS-LNQINEFYSTNSRPISWAISDLVENVGDDIFNTASEHSLENKRRIEYLFENNLFELPNSERPDCHRLKPHSYKSVYGRMYWDRPAPTITRGFGST--GQ------------GRFVH--SLLKRTITPHEAARIQFFPDFFNFGD-LRRRQYQDVIGNAVPSKLSYLLALHQLR 3UBT Chain:Y ((1-322)) -----------------------------------------------------------------------------------MNLISLFSGAGGLDLGFQKA------GFRIICANEYDKSIWKTYESNHSAKLI-KGDISKISSDE---------------FPKCDGIIGGPPSQSWSEGGSLRGIDDPRGKLFYEYIRILKQKKPIFFLAENVKGMMAQRHNKAVQEFIQEFDNAGYDVHIILLNANDYGVAQDRKRVFYIGFRKELNINYLPPIPH--LIKPTFKDVIWDLKDNPIPALDK------NKT-N-------GNKCIYPNHEYFI--GSYSTIFMSRNRVRQWNEPAFTVQASGRQCQLHPQAPVMLKVSKNLNKFVEGKEHLYRRLTVRECARVQGFPDDFIFHYESLNDGYKM-IGNAVPVNLAYEIAKTIKS

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 : 1657 -106266 -64.13 -350.71 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain Y : 0.67 3D Compatibility (PKB) : -64.13 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.312

(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: