Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRVDLFHAMRVFNKVVETNSFSLAADSLGLPRASVTTTIQALEKHLQVRLLNRTTRKISLTPDGAVYYDRTARILADVADIESSFHDAERGPRGQLRIDVPVSIGRLILIPRLRDFHARYPDIDLVIGLNDRPVDLVGEAVDCAIRVGELKDSSLIARRIGTFQCATAASPIYLEKYGEPTSIEDLQKNHKAIHFFSSRTGRNFDWDFVVDDLIKSVSVRGRVSVNDGDAYIDLALQGFGIIQGPRYMLTNHLESGLLKEVLPQW-TPAPMPISAVYLQNRHLSLKVKVFVDWVAELFAGCPLLGGTALPFDQKCEFACDKETGHEYTIRTLVEQHNIAEAYTLKT 3HHG Chain:E ((1-297)) -MKTNSEELTVFVQVVESGSFSRAAEQLAMANSAVSRIVKRLEEKLGVNLLNRTTRQLSLTEEGAQYFRRAQRILQEMAAAETEMLAVHEIPQGVLSVDSAMPMVLHLLAPLAAKFNERYPHIRLSLVSSEGYINLIERKVDIALRAGELDDSGLRARHLFDSRFRVIASPEYLAKHGTPQSTEELA-GHQCLGFTEPGSL--NTWAVLDA-QGNPYKISPHFTASSGEILRSLCLSGCGIVCLSDFLVDNDIAEGKLIPLLAEQTSDKTHPFNAVYYSDKAVNLRLRVFLDFLVEELGNNL--------------------------------------------

General information: TITO was launched using: RESULT: Template: 3HHG.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain E - contact count / total energy / energy per contact / energy per residue : 1345 -156836 -116.61 -529.85 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain E : 0.75 3D Compatibility (PKB) : -116.61 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.404

(partial model without unconserved sides chains): PDB file : Tito_3HHG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3HHG-query.scw PDB file : Tito_Scwrl_3HHG.pdb: