Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKEFKELEDFIGTHFIYTYDNGWEYEWYAKNDHTVDYRIHGGMVKGRWVKDQEADIVKLTDGVFKITWTEPTGTDVALDFMPNEKKLHGMIFFPKWVEEHPEITVTFQNEHIAEMEAAREKYETYPKLLVPEFATITYMGDAGIDNEDVISEEPYDGMPDDIRSGKYFDENYKRVK 2WSJ Chain:B ((3-176)) -KTFKTLDDFLGTHFIYTYDNGWEYEWYAKNDHTVDYRIHGGMVAGRWVTDQKADIVMLTEGIYKISWTSPTGTDVALDFMPNEKKLHGTIFFPKWVEEHPEITVTYQNEHIDLMEQSREKYATYPKLVVPEFANITYMGDAGQNNEDVISEAPYKEMPNDIRNGKYFDQNYHRL-

General information: TITO was launched using: RESULT: Template: 2WSJ.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 : 865 -67537 -78.08 -388.14 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain B : 0.94 3D Compatibility (PKB) : -78.08 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.94 QMean score : 0.596

(partial model without unconserved sides chains): PDB file : Tito_2WSJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2WSJ-query.scw PDB file : Tito_Scwrl_2WSJ.pdb: