Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------MTLQKDKVIKWVRFTPPQVLAIGFFLTIIIGAVLLMLPISTTKPLSWIDALFTAASATTV--------TGLAVVDTGTQFTVFGQTVIMGLIQIGGLGFMTFAVLIVMILGKKIGLKERMLVQEALN--QP---TIGGVIGLVKVLFLFSISIELIAALILSIR-LVPQYGWSSGLFASLFHAI-SAFNN-AGFSLWPDNLMSYVGDP--TVNLVITFLFITGGIGFTVLFDVMK-NRRFKTFSLHTKLMLTGTLMLNAI-AMLTVFILEYSNPGTLGH--LHIVDKLWASYFQAVTPRTAGFNSL------DFGSMREGTIVFTL--------LLMFIGAGSASTASGIKLTTFIVILTSVIAYLRGKKETVIFRRSIKYPIIIKALAV--------SVTSLFIVFLG--------IFALTITEQAPF--------LQIVFE----------TFSAFGTVGLTMGLTP--------ELTTAGKCIIIVIMFIGRIGPLTF----VFSFAKTEQSNIRYPDGEVFTG------------------------------------------ 4OUA Chain:B ((4-557)) LLATVGPTGGVKNRLDIVDFVRD--------EKFFTLYIRALQAIQD----KDQSDYSSFFQLSGIHGLPFTPWAKPKDTPTVPYESGYCTHSQVLFPTWHRVYVSIYEQILQEAAKGIAKKFTVHKKEWAQAAEDLRQPYWDTGFALVPPDEIIKLEQVKITNYDGTKITVRNPILRYS---------FHPIDPSFNGYPNFDTWKTTVRNPDADKKENIPALIGKLDLEADSTREKTYNMLKFNANWEAFSNHGEFDDTHANSLEAVHDDIHGFVGRGAIRGHMTHALFAAFDPIFWLHHSNVDRHLSLWQALYPGVWVTQGPEREGSMGFAPGTELNKDSALEPFYETEDKPWTSVPLTDTALLNYSYPDFDKVKGGTPDLVRDYINDHIDRRYGIKKSEGGKNPAQDLLSDFKGVTHDHNEDLKMFDWTIQASWKKFELDDSFAIIFYFAADGSTNVTKENYIGSINIFRGTTPTNCANCRTQDNLVQEGFVHLDRFIARDLD-TFDPQAVHRYLKEKKLSYKVVADDHSVTLKSLRIRVQGRPLHLPPGVSFPRLDKNIPIVNFDDVLDLVTG

General information: TITO was launched using: RESULT: Template: 4OUA.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 : 2188 -89409 -40.86 -211.37 target 2D structure prediction score : 0.40 Monomeric hydrophicity matching model chain B : 0.65 3D Compatibility (PKB) : -40.86 2D Compatibility (Sec. Struct. Predict.) : 0.40 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.170

(partial model without unconserved sides chains): PDB file : Tito_4OUA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4OUA-query.scw PDB file : Tito_Scwrl_4OUA.pdb: