Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------------------------------MELIIILLALG--LLMFTAYRGFSVILFAPICALFAVLL--TDPSHVLP---FFSSIFMEKMAGFIKLYFPVFLLGAIFGKVVEMAGLAA-----SIAKTIVRLVGAKRAILA-------------------------IVLMGAVLTY---------------------SGVSLFVVVFAVYPFAKNMFQEANIPKR-----------LIPGTIALGA--------------------FTFTMDALPGTPQIQNVIPTSFFKTDIYA------APWLGLMGAVIVLAAGMLYLESRRKKAQASGEGYGGFDSQNAPAPESIESAA------EPDKSPIRHALAFVPL---ILVGAVNKYFTIYLPKWYPNGFDFSSIGLKEFGRLDISSAAAIWSVEIALVIGIITTILFDWRSV-FAQLKEGLNEGIGG----ALLASMNTGAEYGFGGIIAALPGFHKLSSGISHTFTDPLVNGAVTTTALAGITGSASGGMGIALSAMSEQYLQAIQAYNIPPEVMH--------RVIS------MASGGMDTLPHNGAVITLLAVTGLTHRQSYRDIFAITLIKT------AAVFAVIAIYS--------------------LTGLV------------------------------------------------ 3WOL Chain:A ((1-696)) GEGMWVPQQLPEIAGPLKKAGLKLSPQQISDLTGDPMGAVVALGGCTASFVSPNG--LVVTNHHCAYGAIQLNSTAENNLIKNGFNAPTTADEVSAGPNA---RVFVLDEITDVTKDAKAAIAAAGDDALARTKALEAFEKKLIADCEAEAGFRCRLYSFSGGNTYRLFKNLEIKDVRLAYAPPGSVGKFGGDIDNWMWPRHTGDFAFYRAYVGKDGKPAAFSKDNVPYQPKHWLKFADQPLGAGDFVMVAGYPGSTNRYALAAEFDNTAQWTYPTIARHYKNQIAMVEAAGKQNADIQVKYAATMAGWNNTSKNYDGQLEGFKRIDAAGQKLREEAAVLGWLKGQGAKGQPALDAHAKLLDLLEQSKATRDRDLTLALFNNTAMLGSATQLYRLSIEREKPNAERESGYQERDLPAIEGGLKQLERRYVAAMDRQLQEYWLNEYIKLPADQRVAAVDAWLGGNDAAAVKRALDRLAGTKLGSTEERLKWFAADRKAFEAS-NDPAIQYAVAVMPTLLKLEQERKTRAGENLAARPVYLQALADYKKSQGEFVYPDANLSLRITFGNVMGYAPKDGMEYTPFTTLEGVVAKETGQDPFDSPKALLDAVAAKRYGGLEDKRIGSVPVNYLSDLDITGGNSGSPVLDAHGKLVGLAFDGNWESVSSNWVFDPKMTRMIAVDGRYLRWIMQEVYPAPQLLKEMNV

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 : 1802 -29089 -16.14 -62.42 target 2D structure prediction score : 0.42 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -16.14 2D Compatibility (Sec. Struct. Predict.) : 0.42 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.081

(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: