Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSVITSTPGQIQVIKRTGDVAAFDAEKISVAIGKAFLAVEGQQSADSSRIHDRITQLTEMVLNTFTRRLPSGGTIHIEEIQDQVELALMRTGEHKVARAYVIYRDQRASARKDTNSNHHPTLQVTDANGQLQPLDLSALQATVNRAAEGLEGIDVQAIIDETVKNLYNGVKESDIATTMMMATRTRIEQEPNYTYVTARLLRDEL-VSTGLAFLGLPADTAENNALEAFLKKGVELDLLSPDLLKFDLE---KLAAAIQPERSNQFTYLGLQTLFDRYFIHSNGVRFELPQLFFMRVSMGLALNEQDKEERAIEFYNLLSSFDYMASTPTLFNSGTLRPQLSSCYLTTIGDD-LYDIYGAMRDNAMLSKWAGGLGNDWTPVRALNSYIKGTNGKSQGVVPFLKVANDTAVAVNQGG-KRKGAVCAYLETWHLDIEEFLELRKNTGDDRRRTHDMNTANWVPDLFMQRVFEDGEWTLFTPSETPDLHDLTGAEFAERYAYYESVAKEQNMLHKKVRAKDLWRKMLSMLFETGHPWITFKDVCNLRSPQQHVGVVHSSNLCTEITLNTNQDEIAVCNLGSINLVQHV------KGGVLDREKLARTVKTAVRMLDNVIDINYYAVPQAKNSNLKHRPVGMGIMGFQDALYEMGMAYGSDEAVKFADESMEVISYYAIQTSSDLAVERGAYSTFKGSLWDQGILPIDSLEIVAKSRPERMFEVDRTQRLDWDSLRAKVQKDGMRNSNVMAIAPTATISNICGVSQSIEPTFQNLYVKSNLSGEFTVINPCLVRALKERGLWDTVMVNDLKHFEGSVQKIARIPEELKAIFATAFEVEPRWIVDAASRRQKWIDQAQSLNLYISGANGKKLDITYKMAWLRGLKT-TYYLRALGATSAEKSTINTGALNAVKPATVEAAPAVAPVVEAKKPEAVEEDGFTQAAPVPMACSIDNPDCEACQ 2CVX Chain:A ((76-746)) --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------TLAARIAISNLHKQTTKQF----SKVVEDLYRYVNAATGKPAPMISDDVYNIVMENKDKLNSAIVYDRDFQYSYFGFKTLERSYLLRINGQVAERPQHLIMRVALGIHGRDI---EAALETYNLMSLKYFTHASPTLFNAGTPKPQMSSCFLVAMKEDSIEGIYDTLKECALISKTAGGIGLHIHNIRSTGSYIAGTNGTSNGLIPMIRVFNNTARYVDQGGNKRPGAFALYLEPWHADIFDFIDIRKNHGKEEIRARDLFPALWIPDLFMKRVEENGTWTLFSPTSAPGLSDCYGDEFEALYTRYEKEGR-----GKTIKAQKLWYSILEAQTETGTPFVVYKDACNRKSNQKNLGVIKSSNLCCEIVEYSAPDETAVCNLASVALPAFIETSEDGKTSTYNFKKLHEIAKVVTRNLNRVIDRNYYPVEEARKSNMRHRPIALGVQGLADTFMLLRLPFDSEEARLLNIQIFETIYHASMEASCELAQKDGPYETFQGSPASQGILQFDMWD----QKPYGMW--------DWDTLRKDIMKHGVRNSLTMAPMPTASTSQILGYNECFEPVTSNMYS-------FQVVNPYLLRDLVDLGIWDEGMKQYLITQNGSIQGLPNVPQELKDLYKTVWEISQKTIINMAADRSVYIDQSHSLNLFLRAPTMGKLTSMHFYGWKKGLKTGMYYLRTQ-------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2CVX.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 : 3788 36835 9.72 56.58 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : 9.72 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.484

(partial model without unconserved sides chains): PDB file : Tito_2CVX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2CVX-query.scw PDB file : Tito_Scwrl_2CVX.pdb: