Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDITFNTGLMGSGKSKKL---IDDYLIDPKEKVALSVSLTEDTFSRGKIESRDGRSLRSINLNR-DQFKQNISLLEIIIFMTNTQTIYIDESQFLPKETVEKFVSLSESYHVPIHFYGLDLTFTGELFDSSSHLLTILPSENINRISRGCEASKCSKIAQYNARIVDGKVSRSGETFVEEKSYYLALCSDHYYNDEKII 2QQE Chain:A ((5-177)) --LTVITGPMYSGKTTELLSFVEIYKLG-KKKVAVFKPK---------------NGVEAHVIERPEEMRKYIE--------EDTRGVFIDEVQFFNPSLFEVVKDLLDR-GIDVFCAGLDLTHKQNPFETTALLLSL--ADTVIK-----KKAVCHRCGEYNATLTLKVAG-EEEIDVGGQEKYIAVCRDCY-------

General information: TITO was launched using: RESULT: Template: 2QQE.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 : 748 -85503 -114.31 -558.84 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -114.31 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.350

(partial model without unconserved sides chains): PDB file : Tito_2QQE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2QQE-query.scw PDB file : Tito_Scwrl_2QQE.pdb: