Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRLAVIGAMEEEVTILRNKLENAKTETIAHCEFTTGEYEGTEVILLKSGIGKVNAAISTTLLLDRYKPDYVINTGSAGGFHHTLNVGDVVISTDVRHHDVDVTAFDYEYGQVPGLPAAYAADEKLISITEEAVSELDGIQVAKGTIATGDSFMNDPKRVEEVRARFSDLYAVEMEAAAVAQVCHQFKTPFVVIRALSDIAGKESHVSFDQFLEQAAVHSTELVLKVIKRIH 4WKB Chain:A ((1-230)) MKIGIIGAMQQEVAILKDLIEDVQEVNQAGCTFYSGQIQGVDVVLLQSGIGKVSAALGTALLISQYAPDVVINTGSAGGFDASLNVGDVVISSEVRHHDADVTAFGYEIGQMAGQPAAFKADEKLMTVAEQALAQLPNTHAVRGLICTGDAFVCTAERQQFIRQHFPSVVAVEMEASAIAQTCHQFKVPFVVVRAISDVADKESPLSFEEFLPLAAKSSSAMVLKMVELL-

General information: TITO was launched using: RESULT: Template: 4WKB.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 : 1395 -163126 -116.94 -709.24 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.89 3D Compatibility (PKB) : -116.94 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.89 QMean score : 0.621

(partial model without unconserved sides chains): PDB file : Tito_4WKB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4WKB-query.scw PDB file : Tito_Scwrl_4WKB.pdb: