Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSTVPFVTCDLLDDNPEKDLQVVTPSMDGKSFKSYGARQTFGGQVVTVKCFEDNSRVKELLATDGTGKVLVVDGGASMRCALMGDMIAESAVKNNWNGVVIYGCVRDVDALATLDLGVHALAAIPQKSNRKGIGEVDIPLYFGGVTIQSGDFIYADNNGIVIAKEKLV 3C8O Chain:B ((3-158)) -----YVTPDLCDAYPEL-VQVVEPM-----FSNFGGRDSFGGEIVTIKCFEDNSLVKEQVDKDGKGKVLVVDGGGSLRRALLGDMLAEKAAKNGWEGIVVYGCIRDVDVIAQTDLGVQALASHPLKTDKRGIGDLNVAVTFGGVTFRPGEFVYADNNGIIVSPQAL-

General information: TITO was launched using: RESULT: Template: 3C8O.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 : 970 -126155 -130.06 -808.68 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain B : 0.87 3D Compatibility (PKB) : -130.06 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.87 QMean score : 0.604

(partial model without unconserved sides chains): PDB file : Tito_3C8O.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3C8O-query.scw PDB file : Tito_Scwrl_3C8O.pdb: