Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSQLSTIIEQAFEDCANFTAADCPSEIRQAVEEAIAGLDNGTLRVAEKINGEWVVHQWLKKAVLLSFKLNDNKPIESCDLRFYDKVETKFSGWTEEQFKAAGVRVVPPAVARRGSFQAKNVVLMPSYVNIGAYVDEGTMVDTWATVGSCAQIGKNVHLSGGVGIGGVLEPLQANPTIIEDNCFIGARSEIVEGVIVEEGSVISMGVYIGQSTRIYDRETGEIHYGRVPAGSVVVPGNLPSADGKYSLYAAIIVKKVDAQTRAKTSLNDLLRAD 4E1K Chain:A ((355-427)) -------------------------------------------------------------------------------------------------------------------------------------VGKGSKVNHLTYVGD-SEIGSNCNIGAGV-ITCNYDGANKFKTIIGDDVFVGSDTQLVAPVKVANGATIGAGTTI-----------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4E1K.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 : 354 -56220 -158.81 -770.13 target 2D structure prediction score : 0.34 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : -158.81 2D Compatibility (Sec. Struct. Predict.) : 0.34 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.533

(partial model without unconserved sides chains): PDB file : Tito_4E1K.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4E1K-query.scw PDB file : Tito_Scwrl_4E1K.pdb: