Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMIIEIDKLVKRYGDFVALNHFDLQVQEGEVLGLLGPNGSGKSTAINCMLSLLNYDKGTIKLFGTTMTPENY---AVKAMIGVVPQDVAVFDELSVQENIDYFCGLYVSE--KEKRKALIEEVIQLVGLEKYVSFRPGELSGGLKRRLNIACGIAHKPRLIFLDEPTVAVDPQSRNKILESIKELNRQGATIVYTTHYMEEVEILCDQIVIMDQGQVIAKGTKESLKDMVRTADRLTIDIPLLPENVLSAIQRTIASDGIAYKKGQLQVTTTELNTVLLPILTILQEEKISYGKIATKEASLNDVFLEITGKDLRD 2OLK Chain:C ((22-248)) LQMIDVHQLKKSFGSLEVLKGINVHIREGEVVVVIGPSGSGKSTFLRCLNLLEDFDEGEIIIDGINLKAKDTNLNKVREEVGMVFQRFNLFPHMTVLNNI-TLAPMKVRKWPREKAEAKAMELLDKVGLKDKAHAYPDSLSGGQAQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLSVMKQLANEGMTMVVVTHEMGFAREVGDRVLFMDGGYIIEEGKPEDLFD----------------------------------------------------------------------------------------

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 C - contact count / total energy / energy per contact / energy per residue : 1171 -22939 -19.59 -103.33 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain C : 0.70 3D Compatibility (PKB) : -19.59 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.561

(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: