Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence TPMLDSLIEHRSPIFCLVQMCEMLDGGKKYCTRWYKVYPGGSHTFQEGGRDTITVTFDNKCKKSLSGSTKKRSIGFPTQLVYRSDDPILAGISKIFEPGRAPNYH 3MK2 Chain:A ((199-272)) ----------------------ILGGGRKYMFRMGTPDPEYPDDYSQGG---TRLDGKNLVQEWLAKRQGARYVWNRTELMQASLDPSVTHLMGLFEPG------

General information: TITO was launched using: RESULT: Template: 3MK2.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 : 280 -1634 -5.84 -22.08 target 2D structure prediction score : 0.43 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -5.84 2D Compatibility (Sec. Struct. Predict.) : 0.43 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.068

(partial model without unconserved sides chains): PDB file : Tito_3MK2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3MK2-query.scw PDB file : Tito_Scwrl_3MK2.pdb: