Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSMQEKIMRELHVKPSIDPKQEIEDRVNFLKQYVKKTGAKGFVLGISGGQDSTLAGRLAQLAVESIREEGGDAQFIAVRLPHGTQQDEDDAQLALKFIKPDKSWKFDIKSTVSAFSDQYQQETGDQLTDFNKGNVKARTRMIAQYAIGGQEGLLVLGTDHAAEAVTGFFTKYGDGGADLLPLTGLTKRQGRTLLKELGAPERLYLKEPTADLLDEKPQQSDETELGISYDEIDDYLEGKEVSAKVSEALEKRYSMTEHKRQVPASMFDDWWK 4Q16 Chain:A ((10-280)) -PLRSHIIRELHVQPDIDPGAEVERRVAFLCDYLQSTPTKGFVLGISGGQDSTLAGRLCQLAVERRRSQGHGATFLAVRLPYGVQADEADAQQALDFIQADREVTVNIKEAADASVAAAQAALGSEVRDFVRGNVKARERMVAQYALAGQENLLVVGTDHAAEALTGFYTKYGDGGVDLTPLSGLTKRQGAQLLAHLGAPEGTWRKVPTADL----PGLPDEVALGVTYAQIDAYLEGREVSDEAAARLERLFLNSRHKRALPVTPFDGWWQ

General information: TITO was launched using: RESULT: Template: 4Q16.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 : 1310 -74090 -56.56 -277.49 target 2D structure prediction score : 0.74 Monomeric hydrophicity matching model chain A : 0.86 3D Compatibility (PKB) : -56.56 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.86 QMean score : 0.700

(partial model without unconserved sides chains): PDB file : Tito_4Q16.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4Q16-query.scw PDB file : Tito_Scwrl_4Q16.pdb: