Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSFLSKNGAGILACLLISILSWYLGGFFPVIGAPVFAIFIGMLLHPFLSSYKQLDAGLTFSSKKLLQYAVVLLGFGLNISQVFAVG--QSSLPVILSTISIALIIAYLFQRFFALDTKLATLVGVGSSICGGSAIAATAPVIHAKEKEVAQAISVIFFFNVLAALIFPTLGTWLHLSNEGFALFAGTAVNDTSSVTAAASAWDSLYQSNTLESATIVKLTRTLAIIPITLFLSYWQSRQQENKQSLQLKKVFPLFILYFILASLLTTLLTSLGVSSSFFTPLKQLSKFLIVMAMSAIGLKTNLVAMVKSSGKSILLGAICWIAIILTTLGMQTLIGIF 5BZ3 Chain:A ((234-338)) ------------------------------LAPIVGAFLGGMLLSEVREK-YRLEEPIFAIESFLAPIFFAMVGVRLELSALASPVVLVAGTVVTVIAILGKVLGGFLGAL--TQGVRSALTVGCGMAPRGEVGLIVA--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5BZ3.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 : 129 -17065 -132.28 -165.67 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.46 3D Compatibility (PKB) : -132.28 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.46 QMean score : 0.051

(partial model without unconserved sides chains): PDB file : Tito_5BZ3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5BZ3-query.scw PDB file : Tito_Scwrl_5BZ3.pdb: