Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFIEQMFPFINESVRVHQLPEGGVLEIDYLRDNVSISDFEYLDLNKTAYELCMRMDGQKTAEQILAEQCAVYDESPEDHKDWYYDMLNMLQNKQVIQLGNRASRHTITTSGSNEFPMPLHATFELTHRCNLKCAHCYLES--SPEALGTVSIEQFKKTADMLFD--NGVLTCEITGGE-IFVHPNANEILDYVCKK--FKKVAVL----TNGTLMRKESLELLKTYKQKIIVGISLDSVNSEVHDSFRGR---KGSFAQTCKTIKLLSDHGIFVRVAMSVFEKNMWEIHDMAQKVRDLGAKAFSY-NWVDDFGRGRDIVHPTKDAEQHRKFME------YEQHV------IDEFKDLIPIIPYERKRAANCGAGWK---SIVISPFGEVRPCALFP-KEFSLGNIFHDSYESIFNSPLVHKLWQAQAPRFSEHCMKDKCPFSGYC-GGCYLKGLNSNKYHRKNICSWAKNEQLEDVVQLI 4K37 Chain:A ((15-330)) --------------------------------------------------------------------------------------------------------------------------------CNLKCTYCFYHSLS-VKSYGIMRDEVLESMVKRVLNEANGHCSFAFQGGEPTLAGLEFFEKLMELQRKHNYKNLKIYNSLQTNGTLIDESWAKFLS--ENKFLVGLSMDGP-KEIHNLNRKDCCGLDTFSKVERAAELFKKYKVEFNILCVVTSNTARHVNKVYKYFKEKDFKFLQFINCLDPLYEEKGKYNYSLKPKDYTKFLKNLFDFWYEDFLNGNRVSIRYFDGLLETILL--GKSSSCGMNGTCTCQFVVESDGSVYPCDFYVLDKWRLGNIQDMTMKELFETNKNHEFIKLS---FKVHEECKKCKWFRLCKGGC-------------------------------

General information: TITO was launched using: RESULT: Template: 4K37.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 : 1289 19439 15.08 69.42 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : 15.08 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.369

(partial model without unconserved sides chains): PDB file : Tito_4K37.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4K37-query.scw PDB file : Tito_Scwrl_4K37.pdb: