Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEAYFLQGILLMKKTLIALLSLLFSVDTLISASIIDPDVYTILEQSFPSIPKEQWMIQVLKGGLSGTALYKIETPTQQYVLRLHQSTQLSSQDEREHFALIEAAKLGIAPHVAYVSSDNRAILMEFVNHK-TLTLEKAK-LPENIVKIACAIRKAHEIVGHPHVGESLLSNAHRCHEKVLKDGL-GTEE--NINGALELIKRYREQLSAYACPQVNVHGDLNPRNIFLTDDNGVLLIDWAESSLEDPFYDLTYFALKHDYDEVQEALLLKTYLQRQPTVEETSRFTLQKKIHQAFWSLTNLYLADVQLRKHPQQKIDPQASLKSWSTYQKTYADSMEELPAQYFYELSRLNYQLAL 3DXQ Chain:A ((4-284)) ------------------------------------DEARAKLAA-IPMLAGYT-GPLERLGGLTN-LVFRA----GDLCLRIPGK---YINRANEAVAAREAAKAGVSPEVLHVDPATGVMVTRYIAGAQTMSPEKFKTRPGSPARAGEAFRKLHGSGAVFPFRFELFAMIDDYLKVLS--NVTLPAGYHDVVR---EAGGVRSALAAHPLPLAACHCDPLCENFLDTG-ERMWIVDWEYSGMNDPLWDLGDLSVEGKFNANQDEELMRAYFGGEARPAERGRVVIYKAMCDLLWTLWGLIQLANDN---PV--DD-------FRAYADGRFARCKAL-----------------

General information: TITO was launched using: RESULT: Template: 3DXQ.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 : 1275 -5223 -4.10 -19.34 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -4.10 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.362

(partial model without unconserved sides chains): PDB file : Tito_3DXQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3dxq-query.scw PDB file : Tito_Scwrl_3DXQ.pdb: