Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSLKNLQDVSYFKLNNEINRPVNGQIPLNKDKEALVAFFEENVKPNTMTFPS----IMEKINYLIDQEYIEAEFI------QLYSPSFIEKLYQFLDEQHFSFKSFMAAYKFYSQYALKTNDGSAYLETYEDRVAFNALYFANGDEELALALADEMIHQRYQPATPSFLNAGRKRRGELVSCFLTQV-TDDMNSIGRSINSALQLSRIGGGVGITLSNLREAGAPIKGYEGAASGVVPVMKLFEDSFSYSNQLGQRQGAGVVYLNVFHPDIIAFLSAKKENADEKIRVKTLSLGVIVPDKFYELTRKNEDMYLFSPYSVEKEYGVPFSYVNITAEYDHLVANPNIRKQKIKARDLENEISKLQQESGYPYVINIDTANRENPID--GKIIMSNLCSEILQVQTPSVINGKQEYEVLGTDISCNLGSTNIVNLMQ------SPNFGQSVRTMTRALTFITDASDIDVVPPIQNGNKLNHTIGLGAMGLHTYLAKEQMEYGSEDSLDFTNIYFMLLNYWTLVESNNIARERKQVFHNFEKSAYADGTYFEKYVTGEFQPKSEKVKALFEGIFIPTAEDWNALKQAVMKDGLYHQNRLAVAPNGSISYINDTSASIHPITRMIEERQEKKIGKIYYPAPYLSN-------------------------------ETIPYYTSAYDMDMRKVIDVYATAQQHVDQGMSLTLFMRSEIPEGIYEWKTTTKQTTRDLNILRHYAFHKGIKSI-YYVRTFTDDAEEIGSNQCESCVI 3K8T Chain:A ((90-746)) ---------------------------------------------TTKQFSKVVEDLYRYVNAAT--GKPAPMISDDVYNIVMENKDKLNSAIVYDRDFQYSY---FGFKTLERSYLLRIN--GQVAERPQHLIMRVALGIHGRDIEAALETYNLMSLKYFTHASPTLFNAGTP-KPQMSSCFLVAMKEDSIEGIYDTLKECALISKTAGGIGLHIHNIRSTGSYIAGTNGTSNGLIPMIRVFNNTARYVDQGG--PGAFALYLEPWHADIFDFIDIRKNHGKEEIRARDLFPALWIPDLFMKRVEENGTWTLFSPTSAPGLSDCYG--DEFEALYTRYEKEGR--GKTIKAQKLWYSILEAQTETGTPFVVYKDACNRKSNQKNLGVIKSSNLCCEIVEYSAPD------------ETAVCNLASVALPAFIEKTSTYNFKKLHEIAKVVTRNLNRVIDRNYYP-VEEARKSNMRHRPIALGVQGLADTFMLLRLPFDSEEARLLNIQIFETIYHASMEASCELAQKDG-PYETFQGSPASQGILQFDMWDQK----------------PYGMWDWDTLRKDIMKHGVRNSLTMAPMPTASTSQILGYNECFEPVTSNMY----------QVVNPYLLRDLVDLGIWDEGMKQYLITQNGSIQGLPNVPQELKDLYKTVWEISQKTIINMAADRSVYIDQSHSLNLFLRAP--------------TMGKLTSMHFYGWKKGLKTGMYYLRTQ-----------------

General information: TITO was launched using: RESULT: Template: 3K8T.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 : 3311 67406 20.36 114.44 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : 20.36 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.420

(partial model without unconserved sides chains): PDB file : Tito_3K8T.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3K8T-query.scw PDB file : Tito_Scwrl_3K8T.pdb: