Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLTVKGLNKSFGENEILKKIDMKIEKGKVIAILGPSGSGKTTLLRCLNALEIPNRGELAFDDFSIDFSKKVKQADILKLRRKSGMVFQAYHLFPHRTALENVMEGPVQVQKRNKEEVRKEAIQLLDKVGLKDKMDLYPFQLSGGQQQRVGIARALAIQPELMLFDEPTSALDPELVGEVLKVIKDLANEGWTMVVVTHEIKFAQEVADEVIFIDGGVIVEQGPPEQIFSAPKEERTQRFLNRILNPL 2OUK Chain:B ((24-263)) MIDVHQLKKSFGSLEVLKGINVHIREGEVVVVIGPSGSGKSTFLRCLNLLEDFDEGEIIIDGINL----KAKDTNLNKVREEVGMVFQRFNLFPHMTVLNNITLAPMKVRKWPREKAEAKAMELLDKVGLKDKAHAYPDSLSGGQAQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLSVMKQLANEGMTMVVVTHEMGFAREVGDRVLFMDGGYIIEEGKPEDLFDRPQHERTKAFLSKVF---

General information: TITO was launched using: RESULT: Template: 2OUK.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 : 1251 -151872 -121.40 -632.80 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain B : 0.90 3D Compatibility (PKB) : -121.40 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.90 QMean score : 0.552

(partial model without unconserved sides chains): PDB file : Tito_2OUK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2OUK-query.scw PDB file : Tito_Scwrl_2OUK.pdb: