Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTYFMTKSAVKRKNSDIKKPLHAQTGVVYRHSVEVNQMNTNNLSNQQQIIQSWFEPALHTLKALIKKCEENLERIKGDTKNAAVRREEFKEALARQHCITYNHAEEIIRSLSRVDRIRFLGSTYIQIKEGGEA 3AV0 Chain:B ((161-221)) -----------------------------------------------------FEKCYQKMGEIVKEYEKRLERIEGELN----YK------RLKEMSNLEKEKEKLTKFVEYLDKVR---------------

General information: TITO was launched using: RESULT: Template: 3AV0.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 : 82 -7255 -88.48 -131.91 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain B : 0.65 3D Compatibility (PKB) : -88.48 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.615

(partial model without unconserved sides chains): PDB file : Tito_3AV0.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3AV0-query.scw PDB file : Tito_Scwrl_3AV0.pdb: