Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MITMDDIIREGNPTLREVAKEVSLPLSEEDISLGKEMLEFLKNSQDPIKAEELHLRGGVGLAAPQLDISKRIIAVHVPSPDPEADGPSLSTVMYNPKILSHSVQD-ACLGEGEGCLSVDRE-VPGYVVRHAKITVSYYDMNGEKHKIRLKNYESIVVQHEIDHINGVMFYDHINDQNPFALKEGVLVIE 3CMD Chain:B ((10-196)) MITMDDIIREGNPTLREVAKEVSLPLSEEDISLGKEMLEFLKNSQDPIKAEELHLRGGVGLAAPQLDISKRIIAVHVPS--------SLSTVMYNPKILSHSVQDACL-GEGEGCLSVD-REVPGYVVRHAKITVSYYDMNGEKHKIRLKNYESIVVQHEIDHINGVMFYDHINDQNPFALKEGVLVIE

General information: TITO was launched using: RESULT: Template: 3CMD.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 : 892 -45109 -50.57 -254.85 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain B : 0.98 3D Compatibility (PKB) : -50.57 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.98 QMean score : 0.578

(partial model without unconserved sides chains): PDB file : Tito_3CMD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3CMD-query.scw PDB file : Tito_Scwrl_3CMD.pdb: