Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ------------MSEKISRREL----IQKSLLGFGALSIPVAFTGCNDG--SDD----ESPEIQADFLH--GVASGDPLQDKVILWTRVTPTVSG--VRLKVVWEIS-TDNQFKQNLK----TGMVETSKTDDFTVKVDAA--GLQADTVYYYRFKFGNKVSPVGQTKTLPTSTNKVSFAVCSCSNY--------------PAGYFYVYREM-------AKQNVDVIIHLGDYIYEYGADGYATEDAIKLG-------RNLPADNNKEIIKLNDYRKRYALYRQDKDLKAAHQRHPFIVIWDDHELANDAWREGAENHQSNEGVFSD-----RKLAALQAYFEWMPIRPVSSTDHLNIYRQFNFGSLVQLTMLDTRIIARDKQLAYADY----MTTTGLDIAKFQADLTNPVRTLM-GYTQRDW------LVDKLKQSTATWNVVGQQVLMSKMW-IPAELLASLGQITSGGTSPDALAKMNAQI--TELVALKLRLQQNDPTLTAQEKA--RIMTVAPYNLDAWDGYYAEREFVYDKLAEFNKKIIVLAGDTHNAWASYLY--SQKGKYVGVELATSSVSSPGLEKYLSIPLAQLQQFEF---------AFTTLIDELVYCNLNQR-------GYLL-----------VTLDQ------VQVHSEWRFVDSIKNTEYQIDSSRQNDIVLDLNLM--------PLKQGQKTA-- 3WOL Chain:A ((1-696)) GEGMWVPQQLPEIAGPLKKAGLKLSPQQISDLTGDPMGAVVALGGCTASFVSPNGLVVTNHHCAYGAIQLNSTAENNLIKNGFNAPTTADEVSAGPNARVFVLDEITDVTKDAKAAIAAAGDDALARTKALEAFEKKLIADCEAEAGFRCRLYSFSGGNTYRLFKNLEI-----KDVRLAYAPPGSVGKFGGDIDNWMWPRHTGDFAFYRAYVGKDGKPAAFSKDNVPYQPKHWLKFADQPLGAGDFVMVAGYPGSTNRYALAAEFDNTAQWTYPTIARHYKNQIAMVEAAGKQNADIQVK--YAATMAGWNNTSKNYDGQLEGFKRIDAAGQKLREEAAVLGWLKGQGAKGQPALDAHAKL-------LDLLEQSKATRDRDLTLALFNNTAMLGSATQLYRLSIEREKPNAERESGYQERDLPAIEGGLKQLERRYVAAMDRQLQEYWLNEYIKLPADQRVAAVDAWLGGNDAAAVKRALDRLAGTKLGSTEERLKWFAADRKAFEASNDPAIQYAVAVMPTLLKLEQERKTRAGENLAARPVYLQALADYKKSQGEFVYPDANLSLRITFGNVMGYAPKDGMEYTPFTTLEGVVAKETGQDPFDSPKALLDAVAAKRYGGLEDKRIGSVPVNYLSDLDITGGNSGSPVLDAHGKLVGLAFDGNWESVSSN----WVFDPKMTRMIAVDGRYLRWIMQEVYPAPQLLKEMNV

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 : 2609 83404 31.97 146.58 target 2D structure prediction score : 0.48 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : 31.97 2D Compatibility (Sec. Struct. Predict.) : 0.48 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.199

(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: