Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSVITSTPGQIQVIKRTGDVAAFDAEKISVAIGKAFLAVEGQQSADSSRIHDRITQLTEMVLNTFTRRLPSGGTIHIEEIQDQVELALMRTGEHKVARAYVIYRDQRASARKDTNSNHHPTLQVTDANGQLQPLDLSALQATVNRAAEGL--EGIDVQAIIDETVKNLYNGVKESDIATTMMMATRTRIEQEPNYTYVTARLLRDEL-VSTGLAFLGLPAD-----TAENNALEAFLKKGVELDLLSPDLLKFDLEKLAAAIQPERSNQFTYLGLQTLFDRYFIHSNGVRFELPQLFFMRVSMGLALNEQDKEERAIEFYNLLSSFDYMASTPTLFNSGTLRPQLSSCYLTTIGDD-LYDIYGAMRDNAMLSKWAGGLGNDWTPVRALNSYIKGTNGKSQGVVPFLKVANDTAVAVNQGGKRKGAVCAYLETWHLDIEEFLELRKNTGDDRRRTHDMNTANWVPDLFMQRVFEDGEWTLFTPSETPDLHDLTGAEFAERYAYYESVAKEQNMLHKKVRAKDLWRKMLSMLFETGHPWITFKDVCNLRSPQQHVGVVHSSNLCTEITLNTNQDEIAVCNLGSINLVQHVKG-GVLDREKLARTVKTAVRMLDNVIDINYYAVPQAKNSNLKHRPVGMGIMGFQDALYEMGMAYGSDEAVKFADESMEVISYYAIQTSSDLAVERGAYSTFKGSLWDQGILPIDSLEIVAKSRPERMFEVDRTQRLDWDSLRAKVQKDGMRNSNVMAIAPTATISNICGVSQSIEPTFQNLYVKSNLSGEFTVINPCLVRALKERGLWDTVMVNDLKHFEGSVQKIARIPEELKAIFATAFEVEPRWIVDAASRRQKWIDQAQSLNLYISGANGKKLDITYKMAWLRGLKT-TYYLRALGATSAEKSTINTGALNAVKPATVEAAPAVAPVVEAKKPEAVEEDGFTQAAPVPMACSIDNPDCEACQ 3HNE Chain:B ((1-742)) -------------------------------------------------------------------------------------------------------------------------MHVIKRDGRQERVMFDKITSRIQKLCYGLNMDFVDPAQITMKVIQGLYSGVTTVELDTLAAETAATLTTKHPDYAILAARIAVSNLHKETKKVFSDVMEDLYNYINPHNGKHSPMVAKS------TLDIVLANKDRLNSAIIYDRDFSYNYFGFKTLERSYLLKINGKVAERPQHMLMRVSVGIHKEDIDA---AIETYNLLSERWFTHASPTLFNAGTNRPQLSSCFLLSMKDDSIEGIYDTLKQCALISKSAGGIGVAVSCIRATGSYIAGTNGNSNGLVPMLRVYNNTARYVDQG----GAFAIYLEPWHLDIFEFLDLKKN------RARDLFFALWIPDLFMKRVETNQDWSLMCPNECPGLDEVWGEEFEKLYASYE----KQGRVRKVVKAQQLWYAIIESQTETGTPYMLYKDSCNRKSNQQNLGTIKCSNLCTEIVEYTSKDEVAVCNLASLALNMYVTSEHTYDFKKLAEVTKVVVRNLNKIIDINYYPVPEACLSNKRHRPIGIGVQGLADAFILMRYPFESAEAQLLNKQIFETIYYGALEASCDLAKEQGPYETYEGSPVSKGILQYD------------MWNVTPTDLWDWKVLKEKIAKYGIRNSLLIAPMPTASTAQILGNNESIEPYTSNIYT-------FQIVNPHLLKDLTERGLWHEEMKNQIIACNGSIQSIPEIPDDLKQLYKTVWEISQKTVLKMAAERGAFIDQSQSLNIHIAEPNYGKLTSMHFYGWKQGLKTGMYYLRTR-------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3HNE.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 : 4035 21619 5.36 30.32 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain B : 0.74 3D Compatibility (PKB) : 5.36 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.480

(partial model without unconserved sides chains): PDB file : Tito_3HNE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3HNE-query.scw PDB file : Tito_Scwrl_3HNE.pdb: