Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLKKWLAGILLIMLVGYTGWNLYQTYSKKEVGIQEGQQAPDFSLKTLSGEKSSLQDAKGKKVLLNFWATWCKPCRQEMPAMEKLQKEYADK-LAVVAVNFTSAEKSEKQVRAFADTYDLTFPILIDK-KGINADYNVMSYPTTYILDEKGVIQDIHVGTMTKKEMEQKLDLD 2H1B Chain:D ((3-135)) -----------------------------------GSDAPNFVLEDTNGKRIELSDLKGKGVFLNFWGTWCEPCKKQFPYMANQYKHFKSQGVEIVAVN---VGESKIAVHNFMKSYGVNFPVVLDTDRQVLDAYDVSPLPTTFLINPEGKVVKVVTGTMTESMIHDYMNL-

General information: TITO was launched using: RESULT: Template: 2H1B.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 621 -21587 -34.76 -164.79 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain D : 0.72 3D Compatibility (PKB) : -34.76 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.630

(partial model without unconserved sides chains): PDB file : Tito_2H1B.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2H1B-query.scw PDB file : Tito_Scwrl_2H1B.pdb: