Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSKNIVQLNNSFIQNEYQRRRYLMKERQKRNRFMGGVLILIMLLFILPTFNLAQSYQQLLQRRQQLADLQTQYQTLSDEKDKETAFATKLKDEDYAAKYTRAKYYYSKSREKVYTIPDLLQR 2CTO Chain:A ((1-93)) --GSSGSSGMPNRKASRNAYYFFVQEKIPELRRRG-----------LPVARVADAIPYCSSDWALLR---------EEEKEKYAEMAREWRAAQGKDPGPSEKQKPVFTSGPSSG-------

General information: TITO was launched using: RESULT: Template: 2CTO.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 : 211 4157 19.70 44.69 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain A : 0.55 3D Compatibility (PKB) : 19.70 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.55 QMean score : 0.312

(partial model without unconserved sides chains): PDB file : Tito_2CTO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2CTO-query.scw PDB file : Tito_Scwrl_2CTO.pdb: