Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKEFKELEDFIGTHFIYTYDNGWEYEWYAKNDHTVDYRIHGGMVKGRWVKDQEADIVKLTDGVFKITWTEPTGTDVALDFMPNEKKLHGMIFFPKWVEEHPEITVTFQNEHIAEMEAAREKYETYPKLLVPEFATITYMGDAGIDNEDVISEEPYDGMPDDIRSGKYFDENYKRVK 2W2A Chain:B ((4-176)) --TFKTLDDFLGTHFIYTYDNGWEYEWYAKNDHTVDYRIHGGMVAGRWVTDQKADIVMLTEGIYKISWTEPTGTDVALDFMPNEKKLHGTIFFPKWVEEHPEITVTYQNEHIDLMEQSREKYATYPKLVVPEFANITYMGDAGQNNEDVISEAPYKEMPNDIRNGKYFDQNYHRL-

General information: TITO was launched using: RESULT: Template: 2W2A.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 : 846 -66344 -78.42 -383.49 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain B : 0.94 3D Compatibility (PKB) : -78.42 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.94 QMean score : 0.614

(partial model without unconserved sides chains): PDB file : Tito_2W2A.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2W2A-query.scw PDB file : Tito_Scwrl_2W2A.pdb: