Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MARFYRRRKFCRFTAENVAYIDYKDIDTLKQYITENGKIVPSRITGTKARYQRQLALAIKQARYLSLIPYTDNHK 5ME1 Chain:R ((20-74)) -------------------EIDYKDIATLKNYITESGKIVPSRITGTRAKYQRQLARAIKRARYLSLLPYTDRH-

General information: TITO was launched using: RESULT: Template: 5ME1.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain R - contact count / total energy / energy per contact / energy per residue : 151 -26578 -176.01 -483.23 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain R : 0.85 3D Compatibility (PKB) : -176.01 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.591

(partial model without unconserved sides chains): PDB file : Tito_5ME1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5ME1-query.scw PDB file : Tito_Scwrl_5ME1.pdb: