Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDITFNTGLMGSGKSKKL---IDDYLIDPKEKVALSVSLTEDTFSRGKIESRDGRSLRSINLNR-DQFKQNISLLEIIIFMTNTQTIYIDESQFLPKETVEKFVSLSESYHVPIHFYGLDLTFTGELFDSSSHLLTILPSENINRISRGCEASKCSKIAQYNARIVDGKVSRSGETFVEEKSYYLALCSDHYYNDEKII 2QQ0 Chain:A ((5-177)) --LTVITGPMYSGKTTELLSFVEIYKLG-KKKVAVFKPK-------TMIVSH----VEAHVIERPEEMRKYIE--------EDTRGVFIDEVQFFNPSLFEVVKDLLDR-GIDVFCAGLDLTHKQNPFETTALLLSL--ADTVIK-----KKAVCHRCGEYNATLTLKVAGGEEEIDVGGQEKYIAVCRDCY-------

General information: TITO was launched using: RESULT: Template: 2QQ0.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 : 810 -92525 -114.23 -585.60 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -114.23 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.343

(partial model without unconserved sides chains): PDB file : Tito_2QQ0.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2QQ0-query.scw PDB file : Tito_Scwrl_2QQ0.pdb: