Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNKLIEREKTVYYKEKPDPSS-LGFGQYFTDYMFVMDYEEGIGWHHPRIAPYAPLTLDPSSSVFHYGQAVFEGLKAYRTDDGRVLLFRPDQNIKRLNRSCERMSMPPLDEELVLEALTQLVELEKDWVPKEKGTSLYIRPFVIATEPSLGVKASRSYTFMIVLSPVGSYYGDDQLKPVRIYVEDEYVRAVNGGVGFAKTAGNYAASLQAQRKANELGYDQVLWLDAIEKKYVEEVGSMNIFFVING-----EAVTPALSGSILSGVTRASAIELIRSWG-IPVREERISIDEVYAASARGELTEVFGTGTAAVVTPVGEL-----NIHGKTVIVGDGQIGDLSKKLYETITDIQLGKVKGPFNWTVEV 5BWV Chain:A ((14-355)) ----LQLEMTQKPHKKP----PLVFGKTFTDHMLMVEWNDK-GWGQPRIQPFQNLTLHPASSSLHYSLQLFEGMKAFKGKDQQVRLFRPWLNMDRMLRSAMRLCLPSFDKLELLECIRRLIEVDKDWVPDAAGTSLYVRPVLIGNEPSLGVSQPTRALLFVILCPVGAY----SVTPVSLLADPAFIRAWVGGVGNYKLGGNYGPTVLVQQEALKRGCEQVLWLYGPDHQ-LTEVGTMNIFVYWTHEDGVLELVTPPLNGVILPGVVRQSLLDMAQTWGEFRVVERTITMKQLLRALEEGRVREVFGSGTACQVCPVHRILYKDRNLHIPTMENGPELILRFQKELKE--------------------

General information: TITO was launched using: RESULT: Template: 5BWV.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 : 1722 -202079 -117.35 -627.57 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -117.35 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.561

(partial model without unconserved sides chains): PDB file : Tito_5BWV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5BWV-query.scw PDB file : Tito_Scwrl_5BWV.pdb: