Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLQAENIKKAYGKKTIVKGISFSLKKGESFGLLGPNGAGKSTTISMISGLVPHDSGNITVGGYVI-GKETA--KAKQKIGIVPQEIALYPTLTAHENLMFWG-KMYGLTHGEAKKRAAEVLEYVGLTERAKDKIETFSGGMKRRINIGAALMHKPELLIMDEPTVGIDPQSRNHILETVKQLNETGMTVIYTSHYMEEVEFLCDRIGIIDQGEMIAIGTKTDLCSRLGGDTIIQLTVSGINEAFLVAIRSLAHVNDVTVHELELKIDISAAHHEKVVTSLLAEATAHHINLLSLQVQEPNLERLFLNLTGRTLRD 2OLK Chain:B ((24-249)) MIDVHQLKKSFGSLEVLKGINVHIREGEVVVVIGPSGSGKSTFLRCLNLLEDFDEGEIIIDGINLKAKDTNLNKVREEVGMVFQRFNLFPHMTVLNNITLAPMKVRKWPREKAEAKAMELLDKVGLKDKAHAYPDSLSGGQAQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLSVMKQLANEGMTMVVVTHEMGFAREVGDRVLFMDGGYIIEEGKPEDLFDR-----------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2OLK.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1156 -137616 -119.04 -619.89 target 2D structure prediction score : 0.44 Monomeric hydrophicity matching model chain B : 0.71 3D Compatibility (PKB) : -119.04 2D Compatibility (Sec. Struct. Predict.) : 0.44 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.513

(partial model without unconserved sides chains): PDB file : Tito_2OLK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2OLK-query.scw PDB file : Tito_Scwrl_2OLK.pdb: