Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLKKWLAGILLIMLVGYTGWNLYQTYSKKEVGIQEGQQAPDFSLKTLSGEKSSLQDAKGKKVLLNFWATWCKPCRQEMPAMEKLQKEYADK-LAVVAVNFTSAEKSEKQVRAFADTYDLTFPILIDK-KGINADYNVMSYPTTYILDEKGVIQDIHVGTMTKKEMEQKLDLD 1ST9 Chain:A ((2-135)) ----------------------------------EGSDAPNFVLEDTNGKRIELSDLKGKGVFLNFWGTWCEPCKKEFPYMANQYKHFKSQGVEIVAVN---VGESKIAVHNFMKSYGVNFPVVLDTDRQVLDAYDVSPLPTTFLINPEGKVVKVVTGTMTESMIHDYMNL-

General information: TITO was launched using: RESULT: Template: 1ST9.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 : 643 -16554 -25.74 -125.41 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -25.74 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.622

(partial model without unconserved sides chains): PDB file : Tito_1ST9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1ST9-query.scw PDB file : Tito_Scwrl_1ST9.pdb: