Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLKKWLAGILLIMLVGYTGWNLYQTYSKKEVGIQEGQQAPDFSLKTLSGEKSSLQDAKGKKVLLNFWATWCKPCRQEMPAMEKLQKEYADK-LAVVAVNFTSAEKSEKQVRAFADTYDLTFPILIDK-KGINADYNVMSYPTTYILDEKGVIQDIHVGTMTKKEMEQKLDLD 1ST9 Chain:B ((4-135)) ------------------------------------SDAPNFVLEDTNGKRIELSDLKGKGVFLNFWGTWCEPCKKEFPYMANQYKHFKSQGVEIVAVN---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 B - contact count / total energy / energy per contact / energy per residue : 615 -20169 -32.80 -155.15 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain B : 0.72 3D Compatibility (PKB) : -32.80 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.671

(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: