Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSKQIIYPGAVIGIIGGGQLGKMMAVSAKQMGYKVAVVDPVKDSPCGQVADVEITAHYNDREAIRKLAEISDIITYEFENIDYDALHWLKDHAYLPQGSELLLITQNRETEKKAIQSAGCEVAPYSIVKTKNELKQAVQELRLPAVLKTCRGGYDGKGQFVIKEEAQMEQAAALLEHGTCILESWVSFKMELSVIVVRSVNGEISTFPTAENIHHNNILFQSIVPAR-VEKGIQQKAADLAVKLADELNLVGPLAVEMFLTEDGELLVNELAPRPHNSGHYTLDLCETSQFEQHIRAVCGLPLGKTDLLKPGMMVNLLGDEVKLVEEDPELLK--EAKLYIYGKHEIKKGRKMGHITFMKQPEDEWIQEITNKWMNRDGGQAE 3AW8 Chain:A ((12-343)) ---------------------RMLALAGYPLGLSFRFLDPSPEACAGQVGEL-VVGEFLDEGALLRFAEGLALVTYEFENVPVEAARRLEGRLPLYPPAKALEVAQDRLREKTFFQGLGVPTPPFHPVDGPEDLEEGLKRVGLPALLKTRRG------QALVRTEEEALEALKALGGRGLILEGFVPFDREVSLLAVRGRTGEVAFYPLVENRHWGGILRLSLAPAPGASEALQKKAEAYALRAMEALDYVGVLALEFFQVGE-ELLFNEMAPRVHNSGHWTIEGAETSQFENHLRAVLGLPLGSTAPRGQSAMVNLIGEKPPFA----EVLKVEGAHLHWYGK-AVRPGRKVGHITLRR-----------------------

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 : 1769 -162681 -91.96 -503.66 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -91.96 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.407

(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: