Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKASLRLRLDQLCDRHEELTALLADAEVISDNKRFRKLSREHSDLTEITEVWGKYRQAEEDIETAEMMKSDPDFKDMAEEEIQANKALLEELESQLNILMIPKDPNDSNAAYLEIRAGTGGDEAAIFSGDLFRMYSKYAESQGWRIEVLSENEGEHGGFKEVICRVDGDGVYGRLKFESGAHRVQRVPATESQGRVHTSACTVAILPEIDVDTNVEINPADLRIDTYRASGAGGQHINKTDSAVRI------THIPT-----------------GTVV-ECQEERSQHKNKAKAMALLVSRLENAKRAAADAATSEMRRDLVGSGDRSERIRTYNYPQGRMTDHRINLTLYKLDAIMEGDLTELLDSLHREYQADQLAMLAQENGG 2JVA Chain:A ((4-100)) ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ISNNVHLPDAEIELTAIRAQGAGGQNVNKVSSAMHLRFDINASSLPPFYKERLLALNDSRITSDGVIVLKAQQYRTQEQNRADALLRLSELIVNAAK-------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2JVA.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 : 199 -5461 -27.44 -74.81 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -27.44 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.590

(partial model without unconserved sides chains): PDB file : Tito_2JVA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2JVA-query.scw PDB file : Tito_Scwrl_2JVA.pdb: