Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDITFNTGLMGSGKSKKL---IDDYLIDPKEKVALSVSLTEDTFSRGKIESRDGRSLRSINLNR-DQFKQNISLLEIIIFMTNTQTIYIDESQFLPKETVEKFVSLSESYHVPIHFYGLDLTFTGELFDSSSHLLTILPSENINRISRGCEASKCSKIAQYNARIVDGKVSRSGETFVEEKSYYLALCSDHYYNDEKII 2QPO Chain:A ((5-177)) --LTVITGPMYSGKTTELLSFVEIYKLG-KKKVAVFKP--------------------AHVIERPEEMRKYIE--------EDTRGVFIDEVQFFNPSLFEVVKDLLDR-GIDVFCAGLDLTHKQNPFETTALLLSL--ADTVIK-----KKAVCHRCGEYNATLTLKVAGGEE-------EKYIAVCRDCY-------

General information: TITO was launched using: RESULT: Template: 2QPO.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 : 686 -86682 -126.36 -610.43 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -126.36 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.340

(partial model without unconserved sides chains): PDB file : Tito_2QPO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2QPO-query.scw PDB file : Tito_Scwrl_2QPO.pdb: