Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSFEQKPKVTVILANLGTPDEATVPAVRRFLKQFLSDPRVIEIPKFIWWIILNLFVLPFRPKRAAHAYASVWSTDSPMREIVFEQTQRVQAYLERENKQFDLTVLPAMTYGNLGIDAVLEKLSAHPQEHVILLPLFPQYSATSTAPLYDAFAKWIPTQRNLPGL--TIIKDYYQHPMFIQALAESVLAYQEQHGKPEK-----LLMSFHGIPQPYADKGDPYADRCRITAKLVAEALHLKDDEWAISFQSRFGKQEWVKPYTDQLLQDWAKQGVKSVQVLSPAFSADCLETLEELAIQNAE-LFQQAGGGSYAYIPALNSDQAHIDLLAGLVQANLDALTHTLAHR 3AQI Chain:A ((107-327)) -------------------------------------------------------------------------------------------------------------------EEAIEEMERDGLERAIAFTQYPQYSCSTTGSSLNAIYRYYNQVGRKPTMKWSTIDRWPTHHLLIQCFADAILK-ELDHFPLEKRSEVVILFSAHSLPMSVVNRGDPYPQEVSATVQKVMERLEYCNP-YRLVWQSKVGPMPWLGPQTDESIKGLCERGRKNILLVPIAFTSDHIETLYELDIEYSQVLAKECGVENIRRAESLNGNPLFSKALADLVHSHIQS--------

General information: TITO was launched using: RESULT: Template: 3AQI.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 : 961 -12480 -12.99 -58.59 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -12.99 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.556

(partial model without unconserved sides chains): PDB file : Tito_3AQI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3AQI-query.scw PDB file : Tito_Scwrl_3AQI.pdb: