Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKTLHVQTASSSYPVFIGQGIRKKACELLTSLNRPLTRIMFVTDEEVDRLYGDEMLHLLQEKWPVKKVTVPSGEQAKSMDMYTKLQSEAIRFHMDRSSCIIAFGGGVVGDLAGFVAATFMRGIDFIQMPTTLLAHDSAVGGKVAVNHPLGKNLIGAFYQPKAVLYDTDFLRSLPEKELRSGMAEVIKHAFIYDRAFLEELLNIHSLRDITNDQLNDM---IFKGISIKASVVQQDEKEEGIRAYLNFGHTLGHAVEAEYGYGQITHGDAVALGMQFALYISEKTVGCEMDRKRLVSWLKSLGYPSQIRKETETSVLLNRMMNDKKTRGGKIQFIVLNELGKVADHTFSRNELESWLNKWRLEETS 1XAH Chain:B ((3-333)) ---LQTTYPSNNYPIYVEHGAIKYIGTYLNQFDQSFLLI----DEYVNQYFANKFD-------NVHKVIIPAGEKTKTFEQYQETLEYILSHHVTRNTAIIAVGGGATGDFAGFVAATLLRGVHFIQVPTTILAHDSSVGGKVGINSKQGKNLIGAFYRPTAVIYDLDFLKTLPFKQILSGYAEVYKHALLNGESATQDIEQHFKDREILQS-LNGMDKYIAKGIETKLDIVVADEKEQGVRKFLNLGHTFGHAVEY---YHKIPHGHAVMVGIIYQFIVANALFDSKHDISHYIQYLIQLGYPLD--------TLYQYML--------GVQMVLMRQFGDIV----------------------

General information: TITO was launched using: RESULT: Template: 1XAH.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1630 -163861 -100.53 -535.49 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain B : 0.80 3D Compatibility (PKB) : -100.53 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.519

(partial model without unconserved sides chains): PDB file : Tito_1XAH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1XAH-query.scw PDB file : Tito_Scwrl_1XAH.pdb: