Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -------------------------------------------------------------------------------------------------------------MKKIKWLSGQPKVTSGVTWGMPWKKGELKKGDRLALMNENAETRY--VQSEPSAYWPDGSIKWTKHAAVFGGQENQSFTVHKREVPQPTESLSILETEHDI-----QVDTGALVC----TIHKTGSDFIQSLQINGKPIAAGGRLVAIRE-TRKESAAKMVLLHE-------------RSVSFIKRAAIEQSGPVKAVVKI-EGVHVLHKT---YEEWLPFVIRLTFYAGLSEIGLVHTQLIDRSGKLEFVKGLGIEFDLFLEGEPYNRHFRFAGEKG--MYKEPAQLFGTRKFNERYPLYEKQINGEMLSPDEEHKEWFAHG--TQNAVWDDVK------IVQDSS------DHYSLSKRTGKDYAWVGMLHGSRAKGL--CYAGGKNGGVALGLRYFFEKYPSALEIT---------GLAGSRPKMT----------IWLWPPDGEAMDLRHYTG--------NTHVASAYEG-----FDEMR---------SDPTGIANTNEISLACFSHMPS--------------------------DEVLNALAD-KWQAPPLIVC-EPDVYYESKALGVWSIIDTSHPLKKELEEQLDAAFLFYKKEVEQRRWYGFWHYGDVMHTYDPIRHMWRYDLGGYAWQNNELVPTLWLWQAFFRSGREDIFRMAEAMTRHTSETDSFHLGEYAGLGSRHNVVHWGCGCKEARISMAGLHKFYYYLTGDD--RTGDLLTEVKDADYALVKT--DPMRAFYEKGKHPTHARTGPDWAAFCSNWLAEWERTENSEYLKKIETGINCLKR-----------LPLRLLSGPTFEYDPATSMLHHMGDGIAGGYHMIIAF---------------------GAPQVWMELAELLDD-WEWEDMLSEFGEF----YTLSDEEKRKKSGGALHDGHFHWPMFAAGMTAYAARKKQDPHLAAKAWNLLLEDKLSHT--PLPIKPER--IETWTQLEEL--PWVTTNTVSQW--CLNVI--------AALELIGDSLPAKKETSGKKG 4DDU Chain:A ((2-1103)) AVNSKYHHSCINCGGLNTDERNERGLPCEVCLPEDSPSDIYRALLERKTLKEYRFYHEFWNEYEDFRSFFKKKFGKDLTGYQRLWAKRIVQGKSFTMVAPTGVGKTTFGMMTALWLARKGKKSALVFPTVTLVKQTLERLQKLADEKVKIFGFYSSMKKEEKEKFEKSFEEDDYHILVFS---TQFVSKNREKLSQKRFDFVFVDDVDAVLKASRNIDTLLMMVGIPEEIIRKAFSTIKQGKIYERPKNLKPGILVVSSATAKPRGIRPLLFRDLLNFTVGRLVSVARNITHVRISSRSKEKLVELLEIFRDGILIFAQTEEEGKELYEYLKRFKFNVGETWSEFEKNFEDFKVGKINILIGVQAYYGKLTRGVDLPERIKYVIFWGTPSMRFSLELDKAPRFVLARVLKEMGLIKAQENPDVEELRKIAKEHLTQKEFVEKVKEMFRGVVVKDEDLELIIPDVYTYIQASGRSSR---ILNGVLVKGVSVIFEEDEEIFESLKTRLLLIAEEEIIEEAEANWKELVHEVEESRRRSERELTDTSRSLLIIVESPTKAETLSRFLGRASSRKERNIIVHEAVTGEGVILFTATRGHVYDLVTKGGIHGVEEENGKFVPVYNSLKRCRDCGYQFTEDRDECPVCSSKNIDDKTETLRALREISLEADEILVATDPDVEGEKISWDVTQYLLPSTRSLRRIE--MHEITRYGFKKARESVRFVDFNLVKAQIVRRVQDRWIGFELSGKLQKRFG--------RSNLSAGRVQSTVLGWIVEREEEYKKSEKDFTLLVLENGVNLEVEG-KIADDVVTVVELQEAEEEKNPLPPYTTSSALSEISQKLRLGVQEVMDILQDLFEKG-FITYHRTD-------STRISLEGQNVARTYLRKIGKEDIFMGRSWSTEGAHEAIRPVKPIDARELEEMIEEGLIADLTKKHLRVYELIFNRFLASQSAAVKVKKQIVTVDVDGKRMGIEQIVEILRDGWNLFVPLTVSPRFEHRTYKIKEKKFYKKHTVPLFT-------QASIVEEMKKRGIGRPSTYAKIVEVLFRRGYVYEDKYKRVRPTRFGVMVYSYLKERYEKYVTEETTRRLEEIMDKVERGEEDYQATLRLLYEEIKSLMEE-----

General information: TITO was launched using: RESULT: Template: 4DDU.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 : 3493 -239604 -68.60 -292.20 target 2D structure prediction score : 0.41 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -68.60 2D Compatibility (Sec. Struct. Predict.) : 0.41 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.097

(partial model without unconserved sides chains): PDB file : Tito_4DDU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4DDU-query.scw PDB file : Tito_Scwrl_4DDU.pdb: