Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -------------MQKFMNGWVN-------GFIGVAIFAGSLPATRVAVTGFE-----------------PGFLTAARAVIAGVLGLILIFLLKEKKPAKQDWW-----PLAIVALGVVVGFPLFTALALQYMNA-----AHSIVFVSLLPLATAIFAVVRGGEKPNLFFWIFAV-LGSLVVFTYMFFLSGEASFGIGDLYMLIAIILCG---FGYAEGGVLSKKI-----GGWQVICWALILALPIMLLATLFYMPVSFQDVSTSAVAGLVYVSLFSMLIGFFFWYKGLAQ--------GGIAAISQLQLLQPLMGLAIAALLLHEHVSWSMLMVTAVTILCVAAAKKFA--- 1W5C Chain:D ((1-350)) MTIAIGRAPAERGWFDILDDWLKRDRFVFVGWSGILLFPCAYLALGGWLTGTTFVTSWYTHGLASSYLEGCNFLTVAVSTPANSMGHSLLLLWGPEAQGDFTRWCQLGGLWTFIALHGAFGLIGFMLRQFEIARLVGVRPYNAIAFSAPIAVFVSVFLIYPLGQSS----WFFAPSFGVAAIFRFLLFFQGFHNWTLNPFHMMGVAGVLGGALLCAIHGATVENTLFQDGEGASTFRAFNPTQAEETYSMVTANRFWSQIFGIAFSNKRWLHFFMLFVPVTGLWMSAIGVVGLALNLRSYDFISQEIRAAEDPEFETFYTKNLLLNEGIRAWMAPQDQPHENFVFPEEVLPRGN

General information: TITO was launched using: RESULT: Template: 1W5C.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 982 -127566 -129.90 -450.76 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain D : 0.66 3D Compatibility (PKB) : -129.90 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.086

(partial model without unconserved sides chains): PDB file : Tito_1W5C.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1W5C-query.scw PDB file : Tito_Scwrl_1W5C.pdb: