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

General information: TITO was launched using: RESULT: Template: 5LJL.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 : 809 -99935 -123.53 -689.21 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain A : 0.92 3D Compatibility (PKB) : -123.53 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.92 QMean score : 0.600

(partial model without unconserved sides chains): PDB file : Tito_5LJL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5LJL-query.scw PDB file : Tito_Scwrl_5LJL.pdb: