Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSLKNLQDVSYFKLNNEINRPVNGQIPLNKDKEALVAFFEENVKPNTMTFPS----IMEKINYLIDQEYIEAEF---IQL---YSPSFIEKLYQFLDEQHFSFKSFMAAYKFYSQYALKTNDGSAYLETYEDRVAFNALYFANGDEELALALADEMIHQRYQPATPSFLNAGRKRRGELVSCFLTQV-TDDMNSIGRSINSALQLSRIGGGVGITLSNLREAGAPIKGYEGAASGVVPVMKLFEDSFSYSNQLG-QRQGAGVVYLNVFHPDIIAFLSAKKENADEKIRVKTLSLGVIVPDKFYELTRKNEDMYLFSPYSVEKEYGVPFSYVNITAEYDHLVANPNIRKQKIKARDLENEISKLQQESGYPYVINIDTANRENPID--GKIIMSNLCSEILQVQTPSVINGKQEYEVLGTDISCNLGSTNIVNLMQ------SPNFGQSVRTMTRALTFITDASDIDVVPPIQNGNKLNHTIGLGAMGLHTYLAKEQMEYGSEDSLDFTNIYFMLLNYWTLVESNNIARERKQVFHNFEKSAYADGTYFEKYVTGEFQPKSEKVKALFEGIFIPTAEDWNALKQAVMKDGLYHQNRLAVAPNGSISYINDTSASIHPITRMIEERQEKKIGKIYYPAPYLSN------------------------------ETIPYYTSAYDMDMRKVIDVYATAQQHVDQGMSLTLFMRSEIPEGIYEWKTTTKQTTRDLNILRHYAFHKGIKSI-YYVRTFTDDAEEIGSNQCESCVI 2WGH Chain:B ((5-670)) ---------------------------------AARIAVSNLHKETKKVFSDVMEDLYNYINP--HNGKHSPMVAKSTLDIVLANKDRLNSAIIYDRDFSYNY---FGFKTLERSYLLKIN-GK-VAERPQHMLMRVSVGIHKEDIDAAIETYNLLSERWFTHASPTLFNAGTN-RPQLSSCFLLSMKDDSIEGIYDTLKQCALISKSAGGIGVAVSCIRATGSYIAGTNGNSNGLVPMLRVYNNTARYVDQGGNKRPGAFAIYLEPWHLDIFEFLDLKKNTGKEEQRARDLFFALWIPDLFMKRVETNQDWSLMCPNECPGLDEVW--GEEFEKLYASYEKQGRV-RKVVKAQQLWYAIIESQTETGTPYMLYKDSCNRKSNQQNLGTIKCSNLCTEIVEYTSKD------------EVAVCNLASLALNMYVTSEHTYDFKKLAEVTKVVVRNLNKIIDINYYP-VPEACLSNKRHRPIGIGVQGLADAFILMRYPFESAEAQLLNKQIFETIYYGALEASCDLAKEQG-PYETYEGSPVSKGILQYDMWNVT----------------PTDLWDWKVLKEKIAKYGIRNSLLIAPMPTASTAQILGNNESIEPYTSNIY----------QIVNPHLLKDLTERGLWEEMKNQIIACNGSIQSIPEIPDDLKQLYKTVWEISQKTVLKMAAERGAFIDQSQSLNIHIAEP--------------NYGKLTSMHFYGWKQGLKTGMYYLRTRA----------------

General information: TITO was launched using: RESULT: Template: 2WGH.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 3366 103098 30.63 170.41 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain B : 0.69 3D Compatibility (PKB) : 30.63 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.412

(partial model without unconserved sides chains): PDB file : Tito_2WGH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2WGH-query.scw PDB file : Tito_Scwrl_2WGH.pdb: