Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSSKELTMYLEKELDQLKEKGLYNTIDILESENGACIIVDGKKMINLASNNYLGFANREELKKACIEATETYGVGAGAVRTINGSLKIHQQLEEKIAEFKGTEAAIAFQSGFNCNMGAISAVMTKEDAILSDELNHASIIDGCRLSGAKIIRIKHQDMKDLEKKAKEAIESKKYKKIMYITDGVFSMDGDIARLPEIIPIVEKYGLITYVDDAHGSGVTGK-GAGTVKHFGLSDKIDMQMGTLSKAI-GVVGGYVAGSKTLIDWLKARSRPFLFSTSLTPGAAAAALASITLMQ-EHPELVEKVWENANYFKEELKKVGYNIGMSETPITPVILGDEKVTQTFSKKLIEHGIYAKPIVYPTVPLGTGRIRNMPTAEHTREMLDEAVAVYQKIGKEMEII 3TQX Chain:A ((4-399)) --MQEILSQLNKEIEGLKKAGLYKSERIITSPQNAEIKVGEKEVLNFCANNYLGLADHPALIKTAQTVVEQYGFGMASVRFICGTQTIHKELEKDISEFLGTDDTILYSSCFDANGGLFETLLGPEDAIISDELNHASIIDGIRLCKAQRYRYKNNAMGDLEAKLKEADEKGARFKLI-ATDGVFSMDGIIADLKSICDLADKYNALVMVDDSHAVGFIGENGRGTPEYCGVADRVDILTGTLGKALGGASGGYTSGHKEIIEWLRNRSRPYLFSNTVAPVIVATSLKVLELLKTEGPQLRKQLQENSRYFRAGMEKLGFQLVPGNHPIIPVMLGDAQLATNMADHLLQEGIYVVGFSYPVVPMGKARIRVQMSAVHTQQQLDRAIEAFGQVGKKLGAI

General information: TITO was launched using: RESULT: Template: 3TQX.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 : 2193 -96763 -44.12 -246.22 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain A : 0.83 3D Compatibility (PKB) : -44.12 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.487

(partial model without unconserved sides chains): PDB file : Tito_3TQX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3TQX-query.scw PDB file : Tito_Scwrl_3TQX.pdb: