Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRLAVIGAMEEEVT-ILRNKLENAKTETIAHCEFTTGEYEGTEVILLKSGIGKVNAAISTTLLLDRYKPDYVINTGSAGGFHHTLNVGDVVISTDVRHHDVDVTAFDYEYGQVPGLPAAYAADEKLISITEEAVSELDGIQVAKGTIATGDSFMNDPKRVEEVRARFSDLYAVEMEAAAVAQVCHQFKTPFVVIRALSDIAGKESHVSFDQFLEQAAVHSTELVLKVIKRIH 4BMX Chain:B ((24-251)) -KIGILGAMREEITPILELFGVDFEEIPLGGNVFHKGVYHNKEIIVAYSKIGKVHSTLTTTSMILAFGVQKVLFSGVAGSLVKDLKINDLLVAIQLVQHDVDLSAFDHPLGFIPESAIFIETSESLNALAKEVANE-QHIVLKEGVIASGDQFVHSKERKEFLVSEFKA-SAVEMEGASVAFVCQKFGVPCCVLRSISDNADEEANMSFDAFLEKSAQTSAKFLKSMVDEL-

General information: TITO was launched using: RESULT: Template: 4BMX.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 : 1400 -27682 -19.77 -121.95 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain B : 0.78 3D Compatibility (PKB) : -19.77 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.532

(partial model without unconserved sides chains): PDB file : Tito_4BMX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4BMX-query.scw PDB file : Tito_Scwrl_4BMX.pdb: