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:A ((14-742)) --------------------------------------------------------------------------------------------------------------------------------------MFDKITSRIQKLCYGLNMDFVDPAQITMKVIQGLYSGVTTVELDTLAAETAATLTTKHPDYAILAARIAVSNLHKETKKVFSDVMEDLYNYINPHNGKHSPMVAKS------TLDIVLANKDRLNSAIIYDRDFSYNYFGFKTLERSYLLKINGKVAERPQHMLMRVSVGIHKEDIDA---AIETYNLLSERWFTHASPTLFNAGTNRPQLSSCFLLSMKDDSIEGIYDTLKQCALISKSAGGIGVAVSCIRATGSYIAGTNGNSNGLVPMLRVYNNTARYVDQ----PGAFAIYLEPWHLDIFEFLDLKK---------RDLFFALWIPDLFMKRVETNQDWSLMCPNECPGLDEVWGEEFEKLYASYE----KQGRVRKVVKAQQLWYAIIESQTETGTPYMLYKDSCNRKSNQQNLGTIKCSNLCTEIVEYTSKDEVAVCNLASLALNMYVTSEHTYDFKKLAEVTKVVVRNLNKIIDINYYPVPEACLSNKRHRPIGIGVQGLADAFILMRYPFESAEAQLLNKQIFETIYYGALEASCDLAKEQGPYETYEGSPVSKGILQYD------------MWNVTPTDLWDWKVLKEKIAKYGIRNSLLIAPMPTASTAQILGNNESIEPYTSNIYTRRVLSGEFQIVNPHLLKDLTERGLWHEEMKNQIIACNGSIQSIPEIPDDLKQLYKTVWEISQKTVLKMAAERGAFIDQSQSLNIHIAEPNYGKLTSMHFYGWKQGLKTGMYYLRTR-------------------------------------------------------------------

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 A - contact count / total energy / energy per contact / energy per residue : 4032 46776 11.60 66.44 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : 11.60 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.485

(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: