Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIELKKVNKAFGEKKIIKDLNLIIPDGKTLAIVGPSGGGKTTLLRILAGLESSDSGEFYLDGVPFNPFELKMKEQVVGVVFQDFQLFPHLNIFENITLAPKMVLKQTKEEYTKKAEELAASLGISDLLNIYPYQLSGGQKQRVAIARALAMNPRVLAYDEPTSALDPELRQQVERLILSL-KEDGVTQIIVTHDLVFAENVGDQLLKVSPIH 3PUW Chain:B ((4-215)) -VQLQNVTKAWGEVVVSKDINLDIHEGEFVVFVGPSGCGKSTLLRMIAGLETITSGDLFIGEKRMN--DTPPAERGVGMVFQSYALYPHLSVAENMSFGLKLA-GAKKEVINQRVNQVAEVLQLAHLLDRKPKALSGGQRQRVAIGRTLVAEPSVFLLDEPLSNLDAALRVQMRIEISRLHKRLGRTMIYVTHDQVEAMTLADKIV------

General information: TITO was launched using: RESULT: Template: 3PUW.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 : 952 -115510 -121.33 -574.67 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain B : 0.79 3D Compatibility (PKB) : -121.33 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.679

(partial model without unconserved sides chains): PDB file : Tito_3PUW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3PUW-query.scw PDB file : Tito_Scwrl_3PUW.pdb: