Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSSKELTMYLEKELDQLKEKGLYNTIDILESENGACIIVDGKKMINLASNNYLGFANREELKKACIEATETYGVGAGAVRTINGSLKIHQQLEEKIAEFKG----TEAAIAFQSGFNCNMGAISAVMTKEDAILSDELNHASIIDGCRLSGAKIIRIKHQDMKDLEKKAKEAIESKKYKKIMYITDGVFSMDGDIARLPEIIPIVEKYGLITYVDDAHGSGVTG-KGAGTVKHFGLSDKIDMQMGTLSKAIGVVGGYVAGSKTLIDWLKARSRPFLFSTSLTPGAAAAALASITLM--QEHPELVEKVWENANYFKEELKKVGYNIGMSETPITPVILGDEKVTQTFSKKLIEHGIYAKPIVYPTVPLGTGRIRNMPTAEHTREMLDEAVAVYQKIGKEMEII 5JAY Chain:A ((15-397)) ---------LAEGLKEIDARGLRRRRRTADTPCAAHMTVDGRAIIGFASNDYLGLAAHPQLIAAIAEGAQRYGAGSG-------HSRAHAQLEDDLAEFVGGFVENARALYFSTGYMANLATLTALAGRGTTLFSDALNHASLIDGARLSRADVQIYPHCDTDALSAM----LEASDADVKVIVSDTVFSMDGDIAPLPRLLELAEQHGAWLIVDDAHGFGVLGPQGRGAIAQAALRSPNLISIGTLDKAAGVSGAFVAAHETVIEWLVQRARPYIFTTASVPAAAHAVSASLRIIGGEEGDARRAHLQQLIGRTRAMLKATPWLPVDSHTAVQPLIIGANDATLEIAATLDRAGLWVPAIRPPTVPTGTSRLRISLSAAHSQADLDRLEAGLQQL-------

General information: TITO was launched using: RESULT: Template: 5JAY.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 : 2167 -10427 -4.81 -28.26 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -4.81 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.539

(partial model without unconserved sides chains): PDB file : Tito_5JAY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5JAY-query.scw PDB file : Tito_Scwrl_5JAY.pdb: