Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence WFFKDITRKDAERQLLAPGNSAGAFLIRESETLKGSFSLSVRDFDPVHGDVIKHYKIRSLDNGGYYISPRITFPCISDMIKHY 1AOT Chain:F ((7-89)) WYFGKLGRKDAERQLLSFGNPRGTFLIRESETTKGAYSLSIRDWDDMKGDHVKHYKIRKLDNGGYYITTRAQFETLQQLVQHY

General information: TITO was launched using: RESULT: Template: 1AOT.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 : 337 -34056 -101.05 -410.31 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain F : 0.93 3D Compatibility (PKB) : -101.05 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.93 QMean score : 0.533

(partial model without unconserved sides chains): PDB file : Tito_1AOT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1AOT-query.scw PDB file : Tito_Scwrl_1AOT.pdb: