Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQSLQHKTALITGGGRGIGRATALALAKEGVNIGLIGRTSANVEKVAEEVKA-LGVKAAFAAADVKDADQVNQAVAQVKEQLGDIDILINNAGISKFGGFLDLSADEWENIIQVNLMGVYHVTRAVLPEMIERKAGDIINISSTAGQRGAAVTSAYSASKFAVLGLTESLMQEVRKHNIRVSALTPSTVASDMSIELNL-----T------------D-G-NPEKVMQPEDLAEYMVAQLKLDPRIFIKTAGLWSTNP 3AI3 Chain:A ((3-251)) -MGISGKVAVITGSSSGIGLAIAEGFAKEGAHIVLVARQVDRLHEAARSLKEKFGVRVLEVAVDVATPEGVDAVVESVRSSFGGADILVNNAGTGSNETIMEAADEKWQFYWELLVMAAVRLARGLVPGMRARGGGAIIHNASICAVQPLWYEPIYNVTKAALMMFSKTLATEVIKDNIRVNCINPGLILTPDWIKTAKELTKDNGGDWKGYLQSVADEHAPIKRFASPEELANFFVFLC-SERATYSVGS-------

General information: TITO was launched using: RESULT: Template: 3AI3.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 : 1138 -73467 -64.56 -320.81 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -64.56 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.606

(partial model without unconserved sides chains): PDB file : Tito_3AI3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3AI3-query.scw PDB file : Tito_Scwrl_3AI3.pdb: