Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIELKKVNKAFGEKKIIKDLNLIIPDGKTLAIVGPSGGGKTTLLRILAGLESSDSGEFYLDGVPFNPFELKMKEQVVGVVFQDFQLFPHLNIFENITLAPKMVLKQTKEEYTKKAEELAASLGISDLLNIYPYQLSGGQKQRVAIARALAMNPRVLAYDEPTSALDPELRQQVERLILSL-KEDGVTQIIVTHDLVFAENVGDQLLKVSPIH 3PUV Chain:A ((4-205)) -VQLQNVTKAWGEVVVSKDINLDIHEGEFVVFVGPSGCGKSTLLRMIAGLETITSGDLFIGEKRMN--DTPPAERGVGMVFQSYALYPHLSVAENMSFGLKLA-GAKKEVINQRVNQVAEVLQLAHLLDRKPKALSGGQRQRVAIGRTLVAEPSVFLLDEPLSNLDAALRVQMRIEISRLHKRLGRTMIYVTHDQVEAMTLADKIV------

General information: TITO was launched using: RESULT: Template: 3PUV.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 : 935 -119641 -127.96 -595.23 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -127.96 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.655

(partial model without unconserved sides chains): PDB file : Tito_3PUV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3PUV-query.scw PDB file : Tito_Scwrl_3PUV.pdb: