Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----------------------------------------------------------------------------------------------------------MILVNIEGRLEKDDGTEEKKGIQKEVTIDRKANLKSHRLYWIGRRAQDVFCSALA--LIILSPVMLITALAIVIDDLGGSPIFAQNKVSRNGRLFKFYKFCSMCVDAEAKLDALLSQNEMDGPVFKIKNDPRITRVGKFI--------------------------------------------------------------------------------------- 4J72 Chain:A ((20-363)) FAFNVLKYITFRSFTAVLIAFFLTLVLSPSFINRLKKYTPTMGGIVILIVVTLSTLLLMRWDIKYTWVVLLSFLSFGTIGFWDDYVKLKNKKGISIKTKFLLQVLSASLISVLIYYWADIDTILYFPFFKELYVDLGVLYLPFAVFVIVGSANAVNLTDGLDGLAIGPAMTTATALGVVAYAVGHSKIAQYLNIPYVPYAGELTVFCFALVGAGLGFLWFNSF----------PAQMFMGDVGSLSIGASLATVALLTKSEFIFAVAAGVFVFETISVILQIIYFRWTGGKRLFKRAPFHHHLELNGLPEPKIVVRMWIISILLAIIAISMLK

General information: TITO was launched using: RESULT: Template: 4J72.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 : 297 -19338 -65.11 -151.08 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.46 3D Compatibility (PKB) : -65.11 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.46 QMean score : 0.213

(partial model without unconserved sides chains): PDB file : Tito_4J72.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4J72-query.scw PDB file : Tito_Scwrl_4J72.pdb: