Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ------MMNLSKVCKGVRQ------LKKY-----GPFLAIF--------FIA---LAFLMPHLFTHKLILGADAPFHYNR--FY--DAAQQIKYGDFHYFPSLYGFQQSGRIVNAVYGPFFAYLQGLIVLLAGSWFHYQILSN--------FILYLISG---FSMLILLRYVNVRNWVSVPVAV-LFMSTYSIQYWSINQG-----------------FTSWGTCFYPLCMIPIADFVLHKKFPVIKVAVSVGLMTQIHLLSSIMLALM-YIPFYLYYFFNQTEKGKALLQLIKSVLLYFVLTANIWAGLAIVYSGNKILPPFVNREMSQKAIDLDGSYWLHY--PKAFPILILSGFLLFIFFQQKNTLFQKIVLYTSLVFFFLSTSLIPWTTLIEKNVPFISLIQ-FPFRFFVPFTLLLLLYLALSLNQWSEQKWFRLLSIFGILIFSAQTIQNLYQHLEKWENETFVSRHTYL----FDTPEEARKTF------FSKDMSTSLFVFQKTTPDYLPIYKETKDNKYDRYNEE-ILENETTFIKTHPGGL--------LTIKWKNT-----GDKTVHIPVIVYDRTVLQQNGKT--------------------------------LTDYEVT--DIGTPIVKQQKGINELTLH---YQTPIYFYFILSLT-LIGWFTLLCLFIYHRY----KLLRA--- 3WOL Chain:A ((1-696)) GEGMWVPQQLPEIAGPLKKAGLKLSPQQISDLTGDPMGAVVALGGCTASFVSPNGLVVTNHHCAYGAIQLNSTAENNLIKNGFNAPTTADEVSAGPNARVFVLDEITDVTKDAKAAIAA--AGDDALARTKALEAFEKKLIADCEAEAGFRCRLYSFSGGNTYRLFKNLEIKDVRLAYAPPGSVGKFGGDIDNWMWPRHTGDFAFYRAYVGKDGKPAAFSKDNVPYQPKHWLKFADQPLGAG-DFVMVAGYPGSTNRYALAAEFDNTAQWTYPTIARHYKNQIAMVEAAGKQNADIQVKYAATMAGWNNTSKNYDGQLEGFKRIDAAGQKLREEAAVLGWLKGQGAKGQPALDAHAKLLDLLEQSKATRDRDLTLALFNNTAMLGSATQLYRLSIEREKPNAERESGYQERDLPAIEGGLKQLERRYVAAMDRQLQEYWLNEYIKLP-ADQRVAAVDAWLGGNDAAAVKRALDRLAGTKLGSTEERLKWFAADRKAFEASNDPAIQYAVAVMPTLLKLEQERKTRAGENLAARPVYLQALADYKKSQGEFVYPDANLSLRITFGNVMGYAPKDGMEYTPFTTLEGVVAKETGQDPFDSPKALLDAVAAKRYGGLEDKRIGSVPVNYLSDLDITGGNSGSPVLDAHGKLVGLAFDGNWESVSSNWVFDPKMTRMIAVDGRYLRWIMQEVYPAPQLLKEMNV

General information: TITO was launched using: RESULT: Template: 3WOL.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 : 2602 -61203 -23.52 -108.90 target 2D structure prediction score : 0.41 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -23.52 2D Compatibility (Sec. Struct. Predict.) : 0.41 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.234

(partial model without unconserved sides chains): PDB file : Tito_3WOL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3WOL-query.scw PDB file : Tito_Scwrl_3WOL.pdb: