Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIRYPNGKTFQPKHSVSSQNSQKRAPSYSNRGMTLEDDLNETNKYYLTNQIAVIHKKPTPVQIVNVHYPKRSAAVIKEAYFKQSSTTDYNGIY-KGRYIDFEAKET-KNKTSFPLQNFHDHQIEHMKQVKAQDGICFVIISAFDQVYFLEADKLFYFWDRKEKNGRKSIRKDELEETAYPISLGYAPRIDYISIIEQLYFSPSSGAKG 4QBN Chain:A ((3-82)) ----------------------------------KEGRVQKYAKERFEALGGLVRKLS---------Y------------EGRSGAPDLLVILPRGVIWFVEVKKDEN-T------KPDPHQLREHERFRKRGANVFVVGSF------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4QBN.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 : 262 3473 13.25 44.52 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : 13.25 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.375

(partial model without unconserved sides chains): PDB file : Tito_4QBN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4QBN-query.scw PDB file : Tito_Scwrl_4QBN.pdb: