Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence YYHGRLTKQDCETLLLKEGVDGNFLLRDSESIPGVLCLCVSFKNIVYTYRIFREKHGYYRIQTAEGSPKQVFPSLKELISKF 2MK2 Chain:A ((13-94)) WYHRDLSRAAAEELLARAGRDGSFLVRDSESVAGAFALCVLYQKHVHTYRILPDGEDFLAVQTSQGVPVRRFQTLGELIGLY

General information: TITO was launched using: RESULT: Template: 2MK2.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 : 294 -61387 -208.80 -748.62 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.83 3D Compatibility (PKB) : -208.80 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.592

(partial model without unconserved sides chains): PDB file : Tito_2MK2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2MK2-query.scw PDB file : Tito_Scwrl_2MK2.pdb: