Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKTFFQFDELGTSYRNEIIGGLTTFLSMAYILFVNPITLALESVKDFPEALRIDQGAVFTATALASAAGCILMGL-IARYPIAIAPGMGLNAFFA-----FSVVLGMGISWQAALSGVFISGLIFVALSLTGFREKIINAIPPELKLAVGAGIGLFITFVGLQGSGIITANPSTLVTIGNIHSGPVLLTIFGVIVTVILMVLRVNAGVFIGMLLTAVAGMIFGLVPVPTQIIGSVPSLAPTFGQAWIHLPDIFSVQMLIVILTFLFVGFFDTAGTLVAVATQAGLMKENKLPRAGRALLADSSSIVIGAVLGTSTTTSYVESSSGVAAGARSGFAAIVTGILFLLATFFSPLLSVVTSNVTAPALIIVGALMVAPLGKIAWDKFEVAVPAFLTMIMMPLTYSIATGIAIGFIFYPITMVCKGKAKEVHPIMYGLFVVFILYFIFLK 4O6D Chain:A ((19-377)) --LYFQSNA-DTGCAIDISRQELRCGSGVFIH--NDVEAWMDRYKYYPET---PQGLAKIIQKAHKEGVCGLRSVSRLEHQMWEAVKDELNTLLKENGVDLSVVVE-------KQEGMYKS----APKRLTATANNTFVVDGPETKECPTQNRAWNSLEVEDFGFGL--TSTRMFLKVRESNTTECDSKIIGTAVK-NNLAIHSDLSYWIESRLN-------DTWKLERAVLGEVKSC--TWPETHTLWGDGILESDLIIPVTL--------AGPRSNHNRRPGYKTQNQGP-----WDEGRVEIDFDYCPGTTVTLSESCGHRGPATRTTTESGKLIT--------------DWCCRSCTLP----------------------------------PLRYQTDSGCWYGM------EIRPQRHDEKTLVQSQVNA----------

General information: TITO was launched using: RESULT: Template: 4O6D.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 : 1749 -173693 -99.31 -523.17 target 2D structure prediction score : 0.28 Monomeric hydrophicity matching model chain A : 0.57 3D Compatibility (PKB) : -99.31 2D Compatibility (Sec. Struct. Predict.) : 0.28 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.080

(partial model without unconserved sides chains): PDB file : Tito_4O6D.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4O6D-query.scw PDB file : Tito_Scwrl_4O6D.pdb: