Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSKQIIYPGAVIGIIGGGQLGKMMAVSAKQMGYKVAVVDPVKDSPCGQVADVEITAHYNDREAIRKLAEISDIITYEFENIDYDALHWLKDHAYLPQGSELLLITQNRETEKKAIQSAGCEVAPYSIVKTKNELKQAVQELRLPAVLKTCRGG-YDGKGQFVIKEEAQMEQAAALLEHGTCILESWVSFKMELSVIVVRSVNGEISTFPTAENIHHNNILFQSIVPARVEKGIQQKAADLAVKLADELNLVGPLAVEMFLTEDGELLVNELAPRPHNSGHYTLDLCETSQFEQHIRAVCGLPLGKTDLLKPGMMVNLL-GD-EVKLVEEDPELLKEAKLYIYGKHEIKKGRKMGHITFMKQPEDEWIQEITNKWMNRDGGQAE 3Q2O Chain:A ((10-381)) ----IILPGKTIGIIGGGQLGRMMALAAKEMGYKIAVLDPTKNSPCAQVADIEIVASYDDLKAIQHLAEISDVVTYEFENIDYRCLQWLEKHAYLPQGSQLLSKTQNRFTEKNAIEKAGLPVATYRLVQNQEQLTEAIAELSYPSVLKTTT-GGYDGKGQVVLRSEADVDEARKLANAAECILEKWVPFEKEVSVIVIRSVSGETKVFPVAENIHVNNILHESIVPARITEELSQKAIAYAKVLADELELVGTLAVEMFATADGEIYINELAPRPHNSGHYTQDACETSQFGQHIRAICNLPLGETNLLKPVVMVNILGEHIEGVLR-QVNR-LTGCYLHLYGKEEAKAQRKMGHVNILNDNIEVALEKAKSLHIWDHQ----

General information: TITO was launched using: RESULT: Template: 3Q2O.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 : 2163 -225811 -104.40 -611.95 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.87 3D Compatibility (PKB) : -104.40 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.87 QMean score : 0.595

(partial model without unconserved sides chains): PDB file : Tito_3Q2O.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3Q2O-query.scw PDB file : Tito_Scwrl_3Q2O.pdb: