Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVTVREAKLEDIKDIAKVHVDSWRTTYHEIIPIDYLNSLNYKEFEDKWKSR----SLKG-VFVAQDEKGSVFGFASFGPIRSEQ-EGYDGELYAIYLLEERQRQGAGRALLAKGAEFLLQHGFSSMFVWVIEQNP-SIIFYQAYSPERVAEDNFEIAGVRLKEVGLGWPDLSALKTLLNR 2CY2 Chain:A ((1-173)) -VRIRRAGLEDLPGVARVLVDTWRATYRGVVPEAFLEGLSYEGQAERWAQRLKTPTWPGRLFVAESESGEVVGFAAFGPDRASGFPGYTAELWAIYVLPTWQRKGLGRALFHEGARLLQAEGYGRMLVWVLKENPKGRGFYEHLGGVLLGEREIELGGAKLWEVAYGF-DLGGHK-----

General information: TITO was launched using: RESULT: Template: 2CY2.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 : 759 5128 6.76 30.89 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.82 3D Compatibility (PKB) : 6.76 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.584

(partial model without unconserved sides chains): PDB file : Tito_2CY2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2CY2-query.scw PDB file : Tito_Scwrl_2CY2.pdb: