Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSKQIIYPGAVIGIIGGGQLGKMMAVSAKQMGYKVAVVDPVKDSPCGQVADVEITAHYNDREAIRKLAEISDIITYEFENIDYDALHWLKDHAYLPQGSELLLITQNRETEKKAIQSAGCEVAPYSIVKTKNELKQAVQELRLPAVLKTCRGGYDGKGQFVIKEEAQMEQAAALLEHGTCILESWVSFKMELSVIVVRSVNGEISTFPTAENIHHNNILFQSIVPAR-VEKGIQQKAADLAVKLADELNLVGPLAVEMFLTEDGELLVNELAPRPHNSGHYTLDLCETSQFEQHIRAVCGLPLGKTDLLKPGMMVNLLGDEVKLVEEDPEL--LKEAKLYIYGKHEIKKGRKMGHITFMKQPEDEWIQEITNKWMNRDGGQAE 3AW8 Chain:A ((1-360)) ----------MIGILGGGQLGRMLALAGYPLGLSFRFLDPSPEACAGQVGE-LVVGEFLDEGALLRFAEGLALVTYEFENVPVEAARRLEGRLPLYPPAKALEVAQDRLREKTFFQGLGVPTPPFHPVDGPEDLEEGLKRVGLPALLKTRR------GQALVRTEEEALEALKALGGRGLILEGFVPFDREVSLLAVRGRTGEVAFYPLVENRHWGGILRLSLAPAPGASEALQKKAEAYALRAMEALDYVGVLALEFFQVG-EELLFNEMAPRVHNSGHWTIEGAETSQFENHLRAVLGLPLGSTAPRGQSAMVNLIGEKP----PFAEVLKVEGAHLHWYGKA-VRPGRKVGHITLRRDGLKALEEGLARLSRLV------

General information: TITO was launched using: RESULT: Template: 3AW8.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 : 2073 -193548 -93.37 -551.42 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : -93.37 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.434

(partial model without unconserved sides chains): PDB file : Tito_3AW8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3AW8-query.scw PDB file : Tito_Scwrl_3AW8.pdb: