Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKTLHVQTASSSYPVFIGQGIRKKACELLTSLNRPLTRIMFVTDEEVDRLYGDEMLHLLQEKWPVKKVTVPSGEQAKSMDMYTKLQSEAIRFHMDRSSCIIAFGGGVVGDLAGFVAATFMRGIDFIQMPTTLLAHDSAVGGKVAVNHPLGKNLIGAFYQPKAVLYDTDFLRSLPEKELRSGMAEVIKHAFIYDRAFLEELLNIHSLRDITNDQLNDM---IFKGISIKASVVQQDEKEEGIRAYLNFGHTLGHAVEAEYGYGQITHGDAVALGMQFALYISEKTVGCEMDRKRLVSWLKSLGYPSQIRKETETSVLLNRMMNDKKTRGGKIQFIVLNELGKVADHTFSRNELESWLNKWRLEETS 1XAI Chain:A ((3-333)) ---LQTTYPSNNYPIYVEHGAIKYIGTYLNQFDQSFLLI----DEYVNQYFANKFDDILSYE-NVHKVIIPAGEKTKTFEQYQETLEYILSHHVTRNTAIIAVGGGATGDFAGFVAATLLRGVHFIQVPTTILAHDSSVGGKVGINSKQGKNLIGAFYRPTAVIYDLDFLKTLPFKQILSGYAEVYKHALLNGESATQDIEQHFKDREILQS-LNGMDKYIAKGIETKLDIVVADEKEQGVRKFLNLGHTFGHAVEY---YHKIPHGHAVMVGIIYQFIVANALFDSKHDISHYIQYLIQLGYPLDMITDLDFETLYQYMLSDKKNDKQGVQMVLMRQFGDIV----------------------

General information: TITO was launched using: RESULT: Template: 1XAI.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 : 1765 -154239 -87.39 -470.24 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : -87.39 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.484

(partial model without unconserved sides chains): PDB file : Tito_1XAI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1XAI-query.scw PDB file : Tito_Scwrl_1XAI.pdb: