Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -------------MTEGVGLPLWLLAELTYRCLLQCPYCSNPLDYAQHK-NELTTQEWFDVFDQARQMGAVQLG---FSGGEPLVRQDL-EQLVAHAHQLGFYTNLVTSGMGLTEQRISHLKQAGLDHIQISFQASDPVLNDALAGSKHAFEQKYEMCRLVKKYDYPMVLNFVIHRHNIDQIDKIIELCLELNA----DTVELAICQFYGWAFLNRQGL--------LPTQEQLIRAERITNEYREKLKAQNHPCKLIFVVPDYYEERPKACMNGWGKIFFTVAPDGMALPCHAARQLPISFPNVREQSLSRIWYESTGFNRFRGDAWMPEGCRSCPDKDRDFGGCRCQAYMLTGDASNADPVCGKSPYHQFIEQARAESEIDSSLEKLVFRNSRNSKQFTVQQNIPVQNIVDD 3C8F Chain:A ((1-245)) SVIGRIHSFESCGTVDGPGIRFITFFQ---GCLMRCLYCHNRDTWDTHGGKEVTVEDLMKEVVTYRHFMNASGGGVTASGGEAILQAEFVRDWFRACKKEGIHTCLDTNGFVRRYDPVIDELLEVTDLVMLDLKQMNDEIHQNLVGVSN--HRTLEFAKYLANKNVKVWIRYVVVPGWSDDDDSAHRLGEFTRDMGNVEKIELLPYHELGKHKWVAMGEEYKLDGVKPPKKETMERVKGILEQYGHKVMF--------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3C8F.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 : 1079 -11392 -10.56 -52.98 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -10.56 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.384

(partial model without unconserved sides chains): PDB file : Tito_3C8F.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3C8F-query.scw PDB file : Tito_Scwrl_3C8F.pdb: