Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MVRNKEKGFPYENENKF----QGEPRAKDDYASKRADGSINQHPQERMRASGKR------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- 4BS9 Chain:A ((3-781)) PTALQIKPHFHVEIIEPKQVYLLGEQGNHALTGQLYCQILPFLNGEYTREQIVEKLDGQVPEEYIDFVLSRLVEKGYLTEVAPELSLEVAAFWSELGIAPSVVAEGLKQPVTVTTAGKGIREGIVANLAAALEEAGIQVSDPTAQLQVVLTDDYLQPELAAINKEALERQQPWLLVKPVGSILWLGPLFVPGETGCWHCLAQRLQGNREVEASVLQQKRALQERPTARATLPSTLQTGLQWAATEIAKWMVKRHLNAIAPGTARFPTLAGKIFTFNQTTLELKAHPLSRRPQCPTCGDRETLQRRGFEPLKLESRPKHPEQTVQKYQHLIGPITGVVTELVRSRASGLCEAIERYSGIFQGDEPR---KRATLAELGDLAIHPEQCLHFSDRQYDNRESSNERATVTHDWIPQRFDASKAHDWTPVWSLTEQTHKYLPTALCYYRYPFPPEHRFCRSDSNGNAAGNTLEEAILQGFMELVERDSVCLWWYNRVSRPAVDLSSFDEPYFLQLQQFYQTQNRDLWVLDLTADLGIPAFVGVSNRKAGSSERIILGFGAHLDPTVAILRALTEVNQIGLELDATDWLVNATLAASPYLVADASQPLKTAKDYPRRWSDDIYTDVMTCVEIAKQAGLETLVLDQTRPDIGLNVVKVIVPGMRFWSRFGSGRLYDVPVKLGWREQPLAEAQMNPTPMPF

General information: TITO was launched using: RESULT: Template: 4BS9.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 : 47 1101 23.41 23.41 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.51 3D Compatibility (PKB) : 23.41 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.51 QMean score : 0.377

(partial model without unconserved sides chains): PDB file : Tito_4BS9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4BS9-query.scw PDB file : Tito_Scwrl_4BS9.pdb: