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

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 C - contact count / total energy / energy per contact / energy per residue : 976 -61839 -63.36 -301.65 target 2D structure prediction score : 0.76 Monomeric hydrophicity matching model chain C : 0.83 3D Compatibility (PKB) : -63.36 2D Compatibility (Sec. Struct. Predict.) : 0.76 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.565

(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: