Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSQLSTIIEQAFEDCANFTAADCPSEIRQAVEEAIAGLDNGTLRVAEKINGEWVVHQWLKKAVLLSFKLNDNKPIESCDLRFYDKVETKFSGWTEEQFKAAGVRVVPPAVARRGSFQAKNVVLMP-SYVNIGAYVDEGTMVDTWATVGSCAQIGKNVHLSGGVGIGGVLEPLQANPTIIEDNCFIGARSEIVEGVIVEEGSVISMGVYIGQSTRIYDRETGEIHYGRVPAGSVVVPGNLPSADGKYSLYAAIIVKKVDAQTRAKTSLNDLLRAD 3CJ8 Chain:A ((92-221)) ------------------------------------------------------------------------------------------------------ARIEPGALIREKVEIGDQAVIMMGAILNIGAVVGAGTMIDMGAVLGGRATVGKHCHIGAGTVLAGVIEPPSAAPVVIENEVVIGANAVVLEGVRVGEGAVVAAGAVVVED---------------VPAHTVVA--GVPAK----------VIKQIDD---------------

General information: TITO was launched using: RESULT: Template: 3CJ8.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 : 799 -64520 -80.75 -500.16 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -80.75 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.583

(partial model without unconserved sides chains): PDB file : Tito_3CJ8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3CJ8-query.scw PDB file : Tito_Scwrl_3CJ8.pdb: