Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MNQHTLLPKKTERLQYFGSVSPIKGEKPVEKEKMKDLQNIRKDYFFDIQHVGVAN-VSHPVTITSAMMPAEQTTAANFTMTCNLPRNQKGINMSRLTELLQVYHQNGWILSFSSLQQFTKELAENMDTSSATVEVRFPWFFERKSPKLEKAGLMHADIFMSVTYRKDQPFKQRAGISAKVTTLCPCSKEISEYSAHNQRGTVSIWADIHPAASLPSD--VKADLLHAAESNASARLHPVLKRPDEKAVTETAYENPRFVEDLARLIAADLFELEWVSAFEIECRNEESIHLHDAYAKLCFSKEVDKI---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- 4DDU Chain:A ((2-1103)) AVNSKYHHSCINCGGLNTDERNERGLPCEVCLPEDSPSDIYRALLERKTLKEYRFYHEFWNEYEDFRSFFKKKFGKDLTGYQRLWAKRIVQGKSFTMVAPTGVGKTTFGMMTALWLARKGKKSALVFPTVTLVKQTLERLQKLADEKVKIFGFYSSMKKEEKEKFEKSFEEDDYHILVFSTQFVSKNREKLSQKRFDFVFVDDVDAVLKASRNIDTLLMMVGIPEEIIRKAFSTIKQGKIYERPKNLKPGILVVSSATAKP----------RGIRPLLFRDLLNFTVGRLVSVARNITHVRISSR--------------------SKEKLVELLEIFR-DG-ILIFAQTEEEGKELYEYLKRFKFNVGETWS-EFEKNFEDFKVGKI---NILIGVQ-AYYGKLTRGVDLPERIK-------------------YVIFWGTPSMRFSLELDKAPRFVLARVLKEMGLIKAQENPDVEELRKIAKEHLTQKEFVEKVKEMFRGVVVK-----------DEDLELIIPDVYTYIQASGRSSRILNGVLVKGVSVIFEEDEEIFESLKTRLLLIAEEEIIEEAEANWKELVHEVEESRRRSERELTDTSRSLLIIVESPTKAETLSRFLGRASSRKERNIIVHEAVTGEGVILFTATRGHVYDLVTKGGIHGVEEENGKFVPVYNSLKRCRDCGYQFTEDRDECPVCSSKNIDDKTETLRALREISLEADEILVATDPDVEGEKISWDVTQYLLPSTRSLRRIEMHEITRYGFKKARESVRFVDFNLVKAQIVRRVQDRWIGFELSGKLQKRFGRSNLSAGRVQSTVLGWIVEREEEYKKSEKDFTLLVLENGVNLEVEGKIADDVVTVVELQEAEEEKNPLPPYTTSSALSEISQKLRLGVQEVMDILQDLFEKGFITYHRTDSTRISLEGQNVARTYLRKIGKEDIFMGRSWSTEGAHEAIRPVKPIDARELEEMIEEGLIADLTKKHLRVYELIFNRFLASQSAAVKVKKQIVTVDVDGKRMGIEQIVEILRDGWNLFVPLTVSPRFEHRTYKIKEKKFYKKHTVPLFTQASIVEEMKKRGIGRPSTYAKIVEVLFRRGYVYEDKYKRVRPTRFGVMVYSYLKERYEKYVTEETTRRLEEIMDKVERGEEDYQATLRLLYEEIKSLMEE

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 : 810 -59424 -73.36 -250.73 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain A : 0.57 3D Compatibility (PKB) : -73.36 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.240

(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: