Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIELKQVSKSFGERELFSNLSMTFEAGKVYALIGSSGSGKTTLMNMIGKLEPYD-GTIFYRGKDL-ANYKSSDFFRHELGYLFQNFGLIENQSIEENLKLGLIG-QKLSRSEQRLRQKQALEQVGL-----VYLDLDKRIFELSGGESQRVALAKIILKNPPFILADEPTASIDPATSQLIMEILLSLRDDNRLIIIATHNPAIW-EMADEVFTMDHLK 3C4J Chain:B ((24-233)) MIDVHQLKKSFGSLEVLKGINVHIREGEVVVVIGPSGSGKSTFLRCLNLLEDFDEGEIIIDGINLKAKDTNLNKVREEVGMVFQRFNLFPHMTVLNNITLAPMKVRKWPREKAEAKAMELLDKVGLKDKAHAYPD------SLSGGQAQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLSVMKQLANEGMTMVVVTHEMGFAREVGDRVLFMD---

General information: TITO was launched using: RESULT: Template: 3C4J.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 : 984 -55694 -56.60 -277.08 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain B : 0.82 3D Compatibility (PKB) : -56.60 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.495

(partial model without unconserved sides chains): PDB file : Tito_3C4J.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3C4J-query.scw PDB file : Tito_Scwrl_3C4J.pdb: