Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEANDQTQNIPAISFRSVRKSYKQDGQTYDVLQDVTGDIQQGAIVAVLGPSGSGKSTLLSMCNLMRTPDSGEVNIYGKEV--REWNVNELRRTAALAFQSAPVL-DGTVRDNLSLVQRLHQSQLYSPEKLASLAGLPPELLDRSA-RD--------LSGGQRQRLSLARTLSNPSSILLLDEITSALDPVSALEIEELIKRQHQEKKWTVMWVTHNMEQAKRIADTIWFMADGRLLEIAETDTFFSAPQHEAAKEFLKGGTR 3C41 Chain:K ((4-238)) ------------IDVHQLKKSFG----SLEVLKGINVHIREGEVVVVIGPSGSGKSTFLRCLNLLEDFDEGEIIIDGINLKAKDTNLNKVREEVGMVFQRFNLFPHMTVLNNITLAPM--KVRKWPREKAEAKA---MELLDKVGLKDKAHAYPDSLSGGQAQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLSVMKQLANE-GMTMVVVTHEMGFAREVGDRVLFMDGGYIIEEGKPEDLFDRPQHERTKAFL-----

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 K - contact count / total energy / energy per contact / energy per residue : 1142 -138177 -121.00 -619.63 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain K : 0.80 3D Compatibility (PKB) : -121.00 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.492

(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: