Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQTLHVELGERRYPIFIGSQLDPKQLLEPYIHGQQVMIVSNVTVAPLYLSHYQEALESLGKTVATCILPDGEKYKDIQHLNLIFDALLEAGFNRDCTVLALGGGVIGDMAGFASACFQRGVYFVQVPTTLLSQVDSSVGGKTGINHPLGKNMLGAFQQPQVVLADMAQLNTLPERELSAGLAEVIKYALLGDEDFLVWLEENM-DGLVARDADLLAEAVYRSCAHKARIVANDEKEQGERALLNLGHTFGHAIESYLGYGTWLHGEAVATGMVMAADLSQRLGWISNEDVARTKKIIQRANLPIS-CPQIPLDDFLGHMAHDKKVLNGQLRLVLLKQLGQAVITKDFDVELMKQAILANQHG 1XAI Chain:A ((57-334)) ------------------------------------------------------------ENVHKVIIPAGEKTKTFEQYQETLEYILSHHVTRNTAIIAVGGGATGDFAGFVAATLLRGVHFIQVPTTILAH-DSSVGGKVGINSKQGKNLIGAFYRPTAVIYDLDFLKTLPFKQILSGYAEVYKHALLNGESATQDIEQHFKDREILQSLNGMDKYIAKGIETKLDIVVADEKEQGVRKFLNLGHTFGHAVEY---YHKIPHGHAVMVGIIYQFIVANAL-FDSKHDISHYIQYLIQLGYPLDMITDLDFETLYQYMLSDKKNDKQGVQMVLMRQFGDIVV-------------------

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 : 1334 -83436 -62.55 -302.30 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -62.55 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.442

(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: