Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------MKASLRLRLDQLCDRHE-----ELTALLADAEVISDNKRFRKLSREHSDLTEITEVWGKYRQAEEDIETAEMMKSD-PDFKDMAEEEIQANKALLEELESQLNILMIPKDPNDSNAAYLEIRAGTGGDEAAIF-SGDLFRMYSKYAESQGWRIEVLSENEGEHGGFKEVI--CRVDGDGVYGRLKFESGAHRVQRVPATESQGRVHTSACTVAILPEIDVDTNVEINPADLRIDTYRASGAGGQHINKTDSAVRITHIPTGTVVECQEERSQHKNKAKAMALLVSRLENAKRAAADAATSEMRRDLVGSGDRSERIRTYNYPQGRMTDHRINLTLYKLDAIMEGDLTELLDSLHREYQADQLAMLAQENGG 1DMU Chain:A ((1-299)) MYNLHREKIFMSYNQNKQYLEDNPEIQEKIELYGLNLLNEVISDN--EEEIRADYNEANFLHPFWMNYPP----LDRGKMPKGDQIPWIEVGEKAV--GSKLTRLVSQREDITVR------------EIGLPTGPDERYLLTSPTIYSLTNGFTDSIMMFVDIKSVGP-RDSDYDLVLSPNQVSGNGDWAQLEGGIQNNQQTIQGPRSSQIFLPT-------IPPLYILSDGTIAPV---VHLFIKPIYAMRSLTKGDTGQSLYKIKLASVPN-------------GLGLFCN-----PGYAFDSAYKFLFRP--GKDDRTKS----------LLQKRVRVDLRVLDKIGPRVMTIDMDK-------------------

General information: TITO was launched using: RESULT: Template: 1DMU.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 : 1387 67238 48.48 238.43 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : 48.48 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.286

(partial model without unconserved sides chains): PDB file : Tito_1DMU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1DMU-query.scw PDB file : Tito_Scwrl_1DMU.pdb: