Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKNMYYPYLRGKQFDLLALKEALSRGLLSNKIQPVIEPVRDSATLKNVIELFQKKHHPIAVIQNPQVGQFKLFDQHVHSWTVKENSSVVPAQILTPENLSEVLDSPPAFLVFDGQHYPKDTEVWKQLAGVDSKFLIPDTSRFRIWLPENKIVIRDSFQTRKHVESYADKTDDFFSDDYLFFHADGYIGFSDFTIEGSRYFDKGFPSRALAIHLTYIDAYGNIRVKHFVSDSNDSAKDQALKFLEAGDKMKKWIMRHHHQLLITSGMIELLALYQQQKFPGLGVLKKWSLMHHLELISHLLDHPKDWLKYYSKVQELYEVIQ 3WQ4 Chain:A ((166-203)) ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DEYGGFLSPHIVNDFRDFAE---LCFKEFGDRVKHWITMNE----------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3WQ4.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 34 -5710 -167.93 -150.25 target 2D structure prediction score : 0.34 Monomeric hydrophicity matching model chain A : 0.52 3D Compatibility (PKB) : -167.93 2D Compatibility (Sec. Struct. Predict.) : 0.34 1D Compatibility (Hydrophobicity) : 0.52 QMean score : 0.223

(partial model without unconserved sides chains): PDB file : Tito_3WQ4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3WQ4-query.scw PDB file : Tito_Scwrl_3WQ4.pdb: