Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKICYVLLSLVCVFLFSGCSAGEEASGKKEDVTLRIAWWGGQPRHDYTTKVIELYEK----KNPHVHIEAEFANWDDYWKKLAPMSAAGQLPDVIQMD-TAYLAQYGKKNQLEDLTPYTKDGTIDVSSIDENMLSGGKIDNKLYGFTLG-VNVLSVIANEDLLKKAGVSINQENWTWEDYEKLAYDLQEKAGVYGSNGMH-PPDI---FFPYYLRTKGE-RFYKE--DGTGLAYQDDQLFVDYFERQLRLVKAKTSPTPDESAQI-KGMEDDFIVKGKSAITWNYSNQYLGFARLT----DSPLSLYLPPEQMQEK--A-LTL-KPSMLFSIPKSSEHKKEAAKFINFFVNNEEANQLIKGERGVPVSDKVADAIKPKLNEEETNIVE-YVETASKNISK-ADPPEPVGSAEVIKLLKDTSDQILYQKVSPEKAAKTFRKKANEILERNN 3VXB Chain:A ((38-434)) ---------------------------------TITAMVYGDD-AVKVQDKAASRFNASAEAKKANAKVKMERIPASDYPAKLRTAMGSPNAPDIFFNWGGGSIKAYKEAGQLVDLTDVIKSDEVLSTGFLPSVVAAGSLDGHEYGIPMRGMQPVLLFYNKSVFAEHKLTPP---TTWDQLLDNVAKLKKA-GVTPFALGGVEIWPELMWLEYLVDRIGGPQVFDKIRNGDASGWGDP-AVLKAAQTVKQLVDEGAFGKGFSSVSYNNGGAPALLAKGKAGMHLMGSWEYSTQLGKFPDFAKKDLGWCAFPSFEGGAGDIRNVVGNPCNYWSVNARTGNKDGAIAFLRDCASEAYTKDLID-NGDVPTTTIAENMLDSSP----NPEFAKFQYQLVQKAPNFTLSWDQAVDPDWQQPMLTEINKLFVGKSSPEQFVSALKG----------

General information: TITO was launched using: RESULT: Template: 3VXB.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 : 2026 -147544 -72.83 -395.56 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -72.83 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.425

(partial model without unconserved sides chains): PDB file : Tito_3VXB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3VXB-query.scw PDB file : Tito_Scwrl_3VXB.pdb: