Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSWTFDNKKPIYLQIMEKIKLQIVSHTLEPNQQLPTVRELASEAGVNPNTIQRALSDLEREGFVYSKRTTG-RFVT-KDKELIAQSRKQLSEEELEHFVSSMTHFGYEKEELPGVVSDYIKGV- 2DU9 Chain:A ((3-118)) --------VPLYKQIASLIEDSIVDGTLSIDQRVPSTNELAAFHRINPATARNGLTLLVEAGILYKKRGIGMFVSAQAPALIRERRDAAFAATYVAPLIDESIHLGFTRARIHALLDQVAESRG

General information: TITO was launched using: RESULT: Template: 2DU9.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 : 330 -28708 -86.99 -254.05 target 2D structure prediction score : 0.87 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -86.99 2D Compatibility (Sec. Struct. Predict.) : 0.87 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.625

(partial model without unconserved sides chains): PDB file : Tito_2DU9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2DU9-query.scw PDB file : Tito_Scwrl_2DU9.pdb: