Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTNKKNLGIGGIIVLLIAAYLGLDLSGHKNNPTPSSIPVNQRTETTFSNDGVDTIKAAYERRQSNVQVQGSGRVKAILREDNDGSRHQKFILVLKNGLSILVAHNIDLA-PKIEDLRKGDIVEFNGEYEYNEKGGVLHWTHHDPQNRHENGWLKHNGRIYQ 2HAX Chain:B ((3-52)) ----------------------------------------------------------------------RGKVKWFNNEKGYG-----FIE-VEGGSDVFV-HFTAIQGEGFKTLEEGQEVSFEIV----------------------------------

General information: TITO was launched using: RESULT: Template: 2HAX.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 : 84 -9385 -111.73 -191.53 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain B : 0.62 3D Compatibility (PKB) : -111.73 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.414

(partial model without unconserved sides chains): PDB file : Tito_2HAX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2HAX-query.scw PDB file : Tito_Scwrl_2HAX.pdb: