Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKISENWLRTWVNPAIDSDTLSDQLTMLGLEVDELAPVAKPFTGVVVGEVLTVEQHPDADRLRVTTVNIGSGEPLQIVCGAPNVRAGMKAPVATIGAVLPGDFKIKKGKLRGVESQGMLCGASEINLEDKI--DGLLELPADAPVGVNIREYLKLDDNVIDISITPNRGDCFSIRGIAREVAVINQLQMNEPEI-KSV-DATITDEKKVVIN-TDGAPRYLGRVIKNVNVKAGTPEWMEQALARSGIRTHSILVDVTNYVLMELGQPMHAFDLAKIEG-TVHVRQAQPQEKLQLLNDQEVELQEDVMVIADDQKALAIAGIMGGLASSVTDDTTDIFLESAFFAPLAIAGRARRFGLHTDSSQRYERGVDFELPLIAMNRASQLIQELAGGEFGPITVAEKSDLL---PKREAIELKQVQVDQLLGYKVAAEFITDALTRLGCEVTVQANGEWSVVPPSHRYDMAIYQDLIEEVARIDGYDNIQISLPSMDV-Q-LAKYQDRFEIAQLRQTVVTLGYQEAISFSFADAKLEKQLNPQ-VSPLMLANPISSDLAAMRSTLLSSLIPCVQYNLNRQQSRVRFFELGLRFDYQNANSIQDLKQIPTLALVAVGSREPESWHAKPQPMDFFDFKGEVEEILAA-GRVKVEYVRSERPWLHPGQSAEILVDGQSIGYLGRLHPSLENELDLS-TTWVAELDQAAVL--QSYVSNFTELSRFPSVRRDIALLISDNINVRDIQQLIEKTGGELLDSTWLFDVYTGQGVEEGKRSLAFALLWQHPSRTLEDAEIKSGMDNIIQVLENTYQATLRAS 2RHS Chain:D ((1-799)) MLISNEWLKDYVDAGVKVEDLAERITRTGIEVDNMIDYSKDIKNLVVGYIQSKE------KLNICQVDIGEEEPVQIVCGAPNVDAGQHVIVAKVGGRLPGGIKIKRAK--GERSEGMICSLQEIGISSNVVP--IFVFPTEVEPGTDALTALYLNDQVMEFDLTPNRADALSMVGTAYEVAALYQTEMTKPETQSNETSESATNELSVTIDNPEKVPYYSARVVKNVSI-EPSPIWVQARLIKAGIRPINNVVDISNYVLLEYGQPLHMFDQDHIGSKEIVVRQAKDEETMTTLDNNERKLVDTDIVISNGQEPIALAGVMGGDFSEVTEQTTNVVIEGAIFDPVSIRHTSRRLNLRSEASSRFEKGIATEFVDEAVDRACYLLQELASGEVLQD----RVSSGDLGSFVTPIDITAEKVNKTIGFNLSNDEIQSIFRQLGFETTL-KGETLTVNVPSRRKDITIKEDLIEEVARIYGYDEIPSSLPVFGEVTSGELTDRQHKTRTLKETLEGAGLNQAITYSLVSKDHAKDFALQERPTISLLMPMSEAHATLRQSLLPHLIEATAYNVARKNKDVRLYEIGRVFFGNGEGE--LPDEVEYLSGILTGEYVVNAWQGKKEEIDFFIAKGVVDRVAEKLNL-EFSYKAGKIEGLHPGRTAIVSLGGAGIGFIGELHPQVAADNDLKRT-YVFELNYDAMMQVAVGYINYEQIPKFPGVTRDIALEVNHDVPSSELKQIIHNNGEDILQSTLVFDVYEGEHLEKGKKSVAIRLNYLDTEDTLTDERVSKIHDKILEALQAQG-ATI---

General information: TITO was launched using: RESULT: Template: 2RHS.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 : 4004 3704 0.92 4.82 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain D : 0.79 3D Compatibility (PKB) : 0.92 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.472

(partial model without unconserved sides chains): PDB file : Tito_2RHS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2RHS-query.scw PDB file : Tito_Scwrl_2RHS.pdb: