Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLTVKGLNKSFGENEILKKIDMKIEKGKVIAILGPSGSGKTTLLRCLNALEIPNRGELAFDDFSIDFSKKVKQADILKLRRKSGMVFQAYHLFPHRTALENVMEGPVQVQKRNKEEVRKEAIQLLDKVGLKDKMDLYPFQLSGGQQQRVGIARALAIQPELMLFDEPTSALDPELVGEVLKVIKDLANEGWTMVVVTHEIKFAQEVADEVIFIDGGVIVEQGPPEQIFSAPKEERTQRFLNRILNPL 3C41 Chain:J ((3-242)) MIDVHQLKKSFGSLEVLKGINVHIREGEVVVVIGPSGSGKSTFLRCLNLLEDFDEGEIIIDGINL----KAKDTNLNKVREEVGMVFQRFNLFPHMTVLNNITLAPMKVRKWPREKAEAKAMELLDKVGLKDKAHAYPDSLSGGQAQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLSVMKQLANEGMTMVVVTHEMGFAREVGDRVLFMDGGYIIEEGKPEDLFDRPQHERTKAFLSKVF---

General information: TITO was launched using: RESULT: Template: 3C41.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain J - contact count / total energy / energy per contact / energy per residue : 1274 -143542 -112.67 -598.09 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain J : 0.90 3D Compatibility (PKB) : -112.67 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.90 QMean score : 0.532

(partial model without unconserved sides chains): PDB file : Tito_3C41.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3C41-query.scw PDB file : Tito_Scwrl_3C41.pdb: