Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKTIQIAIDGPASSGKSTVAKIIAKDFGFTYLDTGAMYRAATYMALKNQLGVEEVEALLALLDQHPISFGRSETGDQLVFVGDVDITHPIRENEVTNHVSAIAAIPEVREKLVSLQQEIAQQ-GGIVMDGRDIGTVVLPQAELKIFLVASVDERAERRYKENIAKGIETDLETLKKEIAARDYKDSHRETSPLKQAEDAVYLDTTGLNIQEVVEKIKAEAEKRM 4DIE Chain:A ((4-216)) --SMVVAVDGPSGTGKSSVAKELARQLGASYLDTGAMYRIVTLWVLRAGVDLTDPAAIAAATDQVPMSVS-SDPDAQTALLAGEDVSVPIRGNEVTGAVSAVSAVPAVRERLVRQQRELAESSGAVVVEGRDIGTVVLPDADVKIYLTASAQARAQRRNAQN-----------VLADVQRRDHLDSTR----LRPAEDALEVDTSDMTQEQVVAHL--------

General information: TITO was launched using: RESULT: Template: 4DIE.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 : 926 -67498 -72.89 -342.63 target 2D structure prediction score : 0.75 Monomeric hydrophicity matching model chain A : 0.82 3D Compatibility (PKB) : -72.89 2D Compatibility (Sec. Struct. Predict.) : 0.75 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.588

(partial model without unconserved sides chains): PDB file : Tito_4DIE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4DIE-query.scw PDB file : Tito_Scwrl_4DIE.pdb: