Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MALAKIVFASMTGNTEEIADIVADKLRDLGLDVDVDECTTVDASDFLEADIAIVATYTYGDGELPDEMMDFYEDLADLNLNGKIYGVVGSGDTFYDEFCKAVDDFDRVFVSTGAEKGSECVKVDLSAEEEDIERLEQFAEELAAKVG 5LJI Chain:A ((2-146)) -ALAKIVFASMTGNTEEIADIVADKLRDLGLDVDVDECTTVDASDFLEADIAIVATYTYGDGELPDEMMDFYEDLADLNLNGKIYGVVGSGDTFYDEFCKAVDDFDRVFVSTGAEKGSECVKVDLSAEEEDIERLEQFAEELAAKV-

General information: TITO was launched using: RESULT: Template: 5LJI.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 : 810 -100336 -123.87 -691.97 target 2D structure prediction score : 0.76 Monomeric hydrophicity matching model chain A : 0.99 3D Compatibility (PKB) : -123.87 2D Compatibility (Sec. Struct. Predict.) : 0.76 1D Compatibility (Hydrophobicity) : 0.99 QMean score : 0.543

(partial model without unconserved sides chains): PDB file : Tito_5LJI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5LJI-query.scw PDB file : Tito_Scwrl_5LJI.pdb: