Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEHDIAALLHKAAPRSEIAEVLPRSGGQLATVFEVRRIAAAPLIIKLYSPEWAWKQAKEIHVYDLLAPHLGTAIPQVVHAEPEGETHAFTVMTMLTGV-PLCETTAPDYQVVYKQLGELLTAIHRIPQPAYGYLTDEVLEPLPSNDAYMRRQFAKKLQEFEELGGDRALHARLTEYVEQHSGLFASSSRPVLCHNDFHEGNVLVDPDTWQVQGIVDVENAIAADPLIDLAKTQYYSIKNDQAKLSGLLTGYGELP-SDW-VERTAVYRLYHALELWDWFRLIGVIDPLESIAADLVSLLGTSRVAGRPDAVR 3DXQ Chain:B ((3-258)) -TDEARAKLAAIPMLAGYTGPLERLGGLTNLVFRA-----GDLCLRIP------NRANEAVAAREAAK-AGVS-PEVLHVDP---ATGVMVTRYIAGAQTMSPEKFKTRPGSPARAGEAFRKLHGSGAVFPF-R-----FELFAMIDDYLKVLSTK-NVTLPA-GYHDVVREAGGVRS--ALA-AHPLPLAACHCDPLCENFLDTGE---RMWIVDWEYSGMNDPLWDLGDLSVEG-KFNANQDEELMRAYFGGEARPAERGRVVIYKAMCDLLWTLWGL--------------------------------

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 B - contact count / total energy / energy per contact / energy per residue : 1160 -58929 -50.80 -240.52 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain B : 0.62 3D Compatibility (PKB) : -50.80 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.298

(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: