Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTNFILNENKQLSLAIEDENIENFYIDGTDLVRKIIRRSGSGVTSRVPVLSTQDLENKNLHELYDESWLRMKNRPNTELTTESINIADLFSGCGGLSLGVWEACRALGINPRFSFACDLNEAALSVYEKNFSPDFSLNESIEKHINGELGAPLTVEEQRIKDKVKKIDFILAGPPCQGHSDLNNHTRRKDPRNALLMRVSRVIELFQPSSVLVENVPGIIHDK-SGSFKEFKNHLKTQGYYFDEIVLNAEKLGVSQARRRYFI--FASKTPVSSLNQINEFYSTNSRPISWAISDLVENVGDDIFNTASEHSLENKRRIEYLFE--NNLFELPNSERPDCHRLKPHSYKSVYGRMYWDRP-APTITRGFGSTGQGRFVHSL--LKRTITPHEAARIQFFPDFFNFGDLRRRQYQDVIGNAVPSKLSYLLALHQLR 3UBT Chain:Y ((1-317)) -----------------------------------------------------------------------------------MNLISLFSGAGGLDLGFQKA------GFRIICANEYDKSIWKTYESNHS---------AKLIKGDISKISS-------DEFPKCDGIIGGPPSQSWSEGGSLRGIDDPRGKLFYEYIRILKQKKPIFFLAENVKGMMAQRHNKAVQEFIQEFDNAGYDVHIILLNANDYGVAQDRKRVFYIGFRKELNINYLPPIPHLIKPTFKDVIWDLKDNPIPALDKNKTNGNKCIYPNH---EYFIGSYSTIFMSRNRVR---QWNEPAFTVQASGRQCQLHPQAPVMLK--VSKNLNKFVEGKEHLYRRLTVRECARVQGFPDDFIFHYESLNDGYKMIGNAVPVNLAYEIA-----

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 : 1666 -94796 -56.90 -306.78 target 2D structure prediction score : 0.48 Monomeric hydrophicity matching model chain Y : 0.69 3D Compatibility (PKB) : -56.90 2D Compatibility (Sec. Struct. Predict.) : 0.48 1D Compatibility (Hydrophobicity) : 0.69 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: