Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ------WYFGKLGRKDAERQLLSFGNPRGTFLIRESETTKGAYSLSIRDWDDMKGDHVKHYKIRKLDNGGYYITTRAQFETLQQLVQHY----------------- 1AOU Chain:F ((1-106)) SIQAEEWYFGKLGRKDAERQLLSFGNPRGTFLIRESETTKGAYSLSIRDWDDMKGDHVKHYKIRKLDNGGYYITTRAQFETLQQLVQHYSERAAGLSSRLVVPSHK

General information: TITO was launched using: RESULT: Template: 1AOU.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain F - contact count / total energy / energy per contact / energy per residue : 322 39213 121.78 472.45 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain F : 0.91 3D Compatibility (PKB) : 121.78 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.91 QMean score : 0.533

(partial model without unconserved sides chains): PDB file : Tito_1AOU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1AOU-query.scw PDB file : Tito_Scwrl_1AOU.pdb: