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

General information: TITO was launched using: RESULT: Template: 3AYF.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 : 83 -16566 -199.59 -295.82 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.55 3D Compatibility (PKB) : -199.59 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.55 QMean score : 0.198

(partial model without unconserved sides chains): PDB file : Tito_3AYF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3AYF-query.scw PDB file : Tito_Scwrl_3AYF.pdb: