Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MWIAISALNLAFAVMLGAFGAHGLKAHASPEQLAWWQTATDYFFYHALGLLALGILSKVLPHFPIKLSFLLIQIGILFFCG-SLYIMALGLP----------------------RILGAITPIGGALMIAGWLILAWNAFKYAK 3AYG Chain:A ((684-762)) --------------------------------------------------------------KWLKFSCWMLNIGLAGMVVITLLPVGILQMKEAFIHGYWASRSPSFLQQDVVQNLLLVRAVPDTIFLIGVVALLVFAIK---

General information: TITO was launched using: RESULT: Template: 3AYG.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 : 82 -16354 -199.44 -292.04 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.55 3D Compatibility (PKB) : -199.44 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.55 QMean score : 0.202

(partial model without unconserved sides chains): PDB file : Tito_3AYG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3AYG-query.scw PDB file : Tito_Scwrl_3AYG.pdb: