Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSVITSTPGQIQVIKRTGDVAAFDAEKISVAIGKAFLAVEGQQSADSSRIHDRITQLTEMVLNTFTRRLPSGGTIHIEEIQDQVELALMRTGEHKVARAYVIYRDQRASARKDTNSNHHPTLQVTDANGQLQPLDLSALQATVNRAAEGLEG--IDVQAIIDETVKNLYNGVKESDIATTMMMATRTRIEQEPNYTYVTARLLRDELVSTGLAFLGLPADTAENNALEAFLKKGV--ELDLLSPD---LLKFDLEKLAAAIQPERSNQFTYLGLQTLFDRYFIHSNGVRFELPQLFFMRVSMGLALNEQDKEERAIEFYNLLSSFDYMASTPTLFNSGTLRPQLSSCYLTTI-GDDLYDIYGAMRDNAMLSKWAGGLGNDWTPVRALNSYIKGTNGKSQGVVPFLKVANDTAVAVNQGG-KRKGAVCAYLETWHLDIEEFLELRKNTGDDRRRTHDMNTANWVPDLFMQRVFEDGEWTLFTPSETPDLHDLTGAEFAERYAYYESVAKEQNMLHKKVRAKDLWRKMLSMLFETGHPWITFKDVCNLRSPQQHVGVVHSSNLCTEITLNTNQDEIAVCNLGSINLVQHVKG------GVLDREKLARTVKTAVRMLDNVIDINYYAVPQAKNSNLKHRPVGMGIMGFQDALYEMGMAYGSDEAVKFADESMEVISYYAIQTSSDLAVERGAYSTFKGSLWDQGILPIDSLEIVAKSRPERMFEVDRTQRLDWDSLRAKVQKDGMRNSNVMAIAPTATISNICGVSQSIEPTFQNLYVKSNLSGEFTVINPCLVRALKERGLWDTVMVNDLKHFEGSVQKIARIPEELKAIFATAFEVEPRWIVDAASRRQKWIDQAQSLNLYISGANGKKLDITYKMAWLRGLKTT-YYLRALGATSAEKSTINTGALNAVKPATVEAAPAVAPVVEAKKPEAVEEDGFTQAAPVPMACSIDNPDCEACQ 1ZYZ Chain:A ((15-760)) ---------------------------------------------------------------------------------------------------------------------------------------FDKITARISRLCYGLDPKHIDAVKVTQRIIS------TTIELDNLAAETCAYMTTVHPDYATLAARIAISNLHKQTTKQFSKVV-----EDLYRYVNAATGKPAPMISDDVYNIVMENKDKLNSAIVYDRDFQYSYFGFKTLERSYLLRINGQVAERPQHLIMRVALGIHGRD---IEAALETYNLMSLKYFTHASPTLFNAGTPKPQMSSCFLVAMKEDSIEGIYDTLKECALISKTAGGIGLHIHNIRSTGSYIAGTNGTSNGLIPMIRVFNNTARYVDQGGNKRPGAFALYLEPWHADIFDFIDIRKNHGKEEIRARDLFPALWIPDLFMKRVEENGTWTLFSPTSAPGLSDCYGDEFEALYTRYEKEGR-----GKTIKAQKLWYSILEAQTETGTPFVVYKDACNRKSNQKNLGVIKSSNLCCEIVEYSAPDETAVCNLASVALPAFIETSEDGKTSTYNFKKLHEIAKVVTRNLNRVIDRNYYPVEEARKSNMRHRPIALGVQGLADTFMLLRLPFDSEEARLLNIQIFETIYHASMEASCELAQKDGPYETFQGSPASQGILQFDMWDQK------------PYGMWDWDTLRKDIMKHGVRNSLTMAPMPTASTSQILGYNECFEPVTSNMYSRRVLSGEFQVVNPYLLRDLVDLGIWDEGMKQYLITQNGSIQGLPNVPQELKDLYKTVWEISQKTIINMAADRSVYIDQSHSLNLFLRAPTMGKLTSMHFYGWKKGLKTGMYYLRTQAASAAIQFTIDQKI-----------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1ZYZ.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 : 4253 81084 19.07 111.99 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : 19.07 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.459

(partial model without unconserved sides chains): PDB file : Tito_1ZYZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1ZYZ-query.scw PDB file : Tito_Scwrl_1ZYZ.pdb: