Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKISENWLRTWVNPAIDSDTLSDQLTMLGLEVDELAPVAKPFTGVVVGEVLTVEQHPDADRLRVTTVNIGSGEPLQIVCGAPNVRAGMKAPVATIGAVLPGDFKIKKGKLRGVESQGMLCGASEINLEDKIDGLLELPADAPVGVNIREYLKLDDNVIDISITPNRGDCFSIRGIAREVAVINQLQMNEPEI-KSVDATITDEKKVVIN-TDGAPRYLGRVIKNVNVKAGTPEWMEQALARSGIRTHSILVDVTNYVLMELGQPMHAFDLAKIEGTVHVRQAQPQEKLQLLNDQEVELQEDVMVIADDQKALAIAGIMGGLASSVTDDTTDIFLESAFFAPLAIAGRARRFGLHTDSSQRYERGVDFELPLIAMNRASQLIQELAGGEFGPITVAEKSDLL-----PKREAIELKQVQVDQLLGYKVAAEFITDALTRLGCEVTVQANGEWSVVPPSHRYDMAIYQDLIEEVARIDGYDNIQISLPSMDVQL-AKYQDRFEIAQLRQTVVTLGYQEAISFSFADAKLEKQLNPQVSPLMLANPISSDLAAMRSTLLSSLIPCVQYNLNRQQSRVRFFELGLRFDYQNANSIQDLKQIPTLALVAVGSREPESWHAKPQPMDFFDFKGEVEEILAA-GRVK-VEYVRSERPWLHPGQSAEILVDGQSIGYLGRLHPSLENELDLS-TTWVAELDQAAVLQSYVSNFTELSRFPSVRRDIALLISDNINVRDIQQLIEKTGGELLDSTWLFDVYTGQGVEEGKRSLAFALLWQHPSRTLEDAEIKSGMDNIIQVLENTYQATLRAS 3PCO Chain:D ((1-795)) MKFSELWLREWVNPAIDSDALANQITMAGLEVDGVEPVAGSFHGVVVGEVVECAQHPNADKLRVTKVNVGGDRLLDIVCGAPNCRQGLRVAVATIGAVLPGDFKIKAAKLRGEPSEGMLCSFSELGISDDHSGIIELPADAPIGTDIREYLKLDDNTIEISVTPNRADCLGIIGVARDVAVLNQLPLVQPEIVPV-GATIDDTLPITVEAPEACPRYLGRVVKGINVKAPTPLWMKEKLRRCGIRSIDAVVDVTNYVLLELGQPMHAFDKDRIEGGIVVRMAKEGETLVLLDGTEAKLNADTLVIADHNKALAMGGIFGGEHSGVNDETQNVLLECAFFSPLSITGRARRHGLHTDASHRYERGVDPALQHKAMERATRLLIDICGGEAG-P----VIDITNEATLPKRATITLRRSKLDRLIGHHIADEQVTDILRRLGCEVTEG-KDEWQAVAPSWRFDMEIEEDLVEEVARVYGYNNIPDEPVQASLIMGTHREADLSLKRVKTLLNDKGYQEVITYSFVDPKVQQMIHPGVEALLLPSPISVEMSAMRLSLWTGLLATVVYNQNRQQNRVRIFESGLRFVPDTQAPL-GIRQDLMLAGVICGNRYEEHWNLAKETVDFYDLKGDLESVLDLTGKLNEVEFRAEANPALHPGQSAAIYLKGERIGFVGVVHPELERKLDLNGRTLVFELEWNKLADRVVPQAREISRFPANRRDIAVVVAENVPAADILSECKKVGVNQVVGVNLFDVYRGKGVAEGYKSLAISLILQDTSRTLEEEEIAATVAKCVEALKERFQASLRD-

General information: TITO was launched using: RESULT: Template: 3PCO.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 3982 -96607 -24.26 -123.22 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain D : 0.85 3D Compatibility (PKB) : -24.26 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.432

(partial model without unconserved sides chains): PDB file : Tito_3PCO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3PCO-query.scw PDB file : Tito_Scwrl_3PCO.pdb: