Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRLAVIGAMEEEVT-ILRNKLENAKTETIAHCEFTTGEYEGTEVILLKSGIGKVNAAISTTLLLDRYKPDYVINTGSAGGFHHTLNVGDVVISTDVRHHDVDVTAFDYEYGQVPGLPAAYAADEKLISITEEAVSELDGIQVAKGTIATGDSFMNDPKRVEEVRARFSDLYAVEMEAAAVAQVCHQFKTPFVVIRALSDIAGKESHVSFDQFLEQAAVHSTELVLKVIKRIH 4WKN Chain:A ((18-239)) -KIGILGAMREEITPILELFGVDFEEIPLGGNVFHKGVYHNKEIIVAYSKIGKVHSTLTTTSMILAFGVQKVLFSGVAGSLVKDLKINDLLVATQLVQHDVDLSAFDHPLGFIPESAIFIETSGSLNALAKKIANE-QHIALKEGVIASGDQFVHSKERKEFLVSEFKA-SAVEMEGASVAFVCQKFGVPCCVLRSISDNADEKAGMSFDEFLEKSA-HTSAKFLK------

General information: TITO was launched using: RESULT: Template: 4WKN.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 : 1316 -14604 -11.10 -66.08 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -11.10 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.471

(partial model without unconserved sides chains): PDB file : Tito_4WKN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4WKN-query.scw PDB file : Tito_Scwrl_4WKN.pdb: