Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNIAQALAIRGEPDSYERQENAWLLEHFLKINSLELKFRLEQELTAQQEQDYLAGLERIQNGEPLAYVTGSQPFWTLDLKVTSDTLVPRPDTEVLVETVLNLNLPKNANIVDLGTGTGAIALALASERPDWFVTATDIYAPTLEVAKENAQTHGLHHVKFACGVWYEALEPQQFDLIVSNPPYIDPEDEHMQALATEPRRALVADHHGLADIEIIIAQGKNWLKPQGWIALEHGYDQGQAVRGIFAEHGFSEIRTIQDYGRNDRVTLASLLIK 3CJQ Chain:A ((105-215)) ------------------------------------------------------------------------------------------ETTRLALKALARHLRPGDKVLDLGTGSGV--LAIAAEKLGGKALGVDIDPMVLPQAEANAKRNGVRP-RFLEGSLEAALPFGPFDLLVAN-----LYAELHAALAPRYREALVPGGRAL----------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3CJQ.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 : 536 -44699 -83.39 -402.69 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -83.39 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.554

(partial model without unconserved sides chains): PDB file : Tito_3CJQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3CJQ-query.scw PDB file : Tito_Scwrl_3CJQ.pdb: