Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ------PEG---TVALQARYPANNKKAGKVNAAA--NNGTAAGGNVNGTADFGKCKPTMSFKTGRPGRKATEGTF----LPDDELVAKGQQDALNPNIITNRICDQLTNVCSAN--------AAAKTQCAAAKAMVSSLGTKDSSTADAFNKALGF----------------- 2NC8 Chain:A ((12-182)) GRENLYFQGHMLRVRASITISPDDLVSGEIIAAAKPKNSKDTGPALDGDVPFSQKVAVSNYDSD--GYVGSQAVFSDLTFAELPQLANMNSDAAGVNLSLRRNGNIVILEGRADLTSVSDPDADVELTVAFPAAVTSTNGDRIEPEVVQWKLKPGVVSTMSAQARYTDPNTRS

General information: TITO was launched using: RESULT: Template: 2NC8.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 : 598 43406 72.59 331.34 target 2D structure prediction score : 0.45 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : 72.59 2D Compatibility (Sec. Struct. Predict.) : 0.45 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.277

(partial model without unconserved sides chains): PDB file : Tito_2NC8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2NC8-query.scw PDB file : Tito_Scwrl_2NC8.pdb: