Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPRSLKKGPFVDAHLFAKVEAAVASNSRKPIKTWSRRSMILPDFVGLTISVHNGRNHVPVIVTEHMVGHKLGEFAPTRTYRGHGVDKKSKR 2YKR Chain:S ((2-80)) --RSLKKGPFIDLHLLKKVEKAVESGDKKPLRTWSRRSTIFPNMIGLTIAVHNGRQHVPVFVTDEMVGHKLGEFAPTRTYR----------

General information: TITO was launched using: RESULT: Template: 2YKR.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain S - contact count / total energy / energy per contact / energy per residue : 325 -27015 -83.12 -341.96 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain S : 0.92 3D Compatibility (PKB) : -83.12 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.92 QMean score : 0.579

(partial model without unconserved sides chains): PDB file : Tito_2YKR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2YKR-query.scw PDB file : Tito_Scwrl_2YKR.pdb: