Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNKLIEREKTVYYKEKPDPSS-LGFGQYFTDYMFVMDYEEGIGWHHPRIAPYAPLTLDPSSSVFHYGQAVFEGLKAYRTDDGRVLLFRPDQNIKRLNRSCERMSMPPLDEELVLEALTQLVELEKDWVPKEKGTSLYIRPFVIATEPSLGVKASRSYTFMIVLSPVGSYYGDDQLKPVRIYVEDEYVRAVNGGVGFAKTAGNYAASLQAQRKANELGYDQVLWLDAIEKKYVEEVGSMNIFFVING-----EAVTPALSGSILSGVTRASAIELIRSWG-IPVREERISIDEVYAASARGELTEVFGTGTAAVVTPVGEL-----NIHGKTVIVGDGQIGDLSKKLYETITDIQLGKVKGPFNWTVEV 2HGW Chain:A ((10-351)) ----LQLEMTQKPHKKPGPGEPLVFGKTFTDHMLMVEWNDK-GWGQPRIQPFQNLTLHPASSSLHYSLQLFEGMKAFKGKDQQVRLFRPWLNMDRMLRSAMRLCLPSFDKLELLECIRRLIEVDKDWVPDAAGTSLYVRPVLIGNEPSLGVSQPRRALLFVILCPVG-------VTPVSLLADPAFIRAWVGGVGNYKLGGNYGPTVLVQQEALKRGCEQVLWLYGPDHQ-LTEVGTMNIFVYWTHEDGVLELVTPPLNGVILPGVVRQSLLDMAQTWGEFRVVERTITMKQLLRALEEGRVREVFGSGTACQVAPVHRILYKDRNLHIPTMENGPELILRFQKELKE--------------------

General information: TITO was launched using: RESULT: Template: 2HGW.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 : 1683 -191840 -113.99 -593.93 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -113.99 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.554

(partial model without unconserved sides chains): PDB file : Tito_2HGW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2HGW-query.scw PDB file : Tito_Scwrl_2HGW.pdb: