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

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 : 341 -30286 -88.82 -364.89 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain F : 0.97 3D Compatibility (PKB) : -88.82 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.97 QMean score : 0.613

(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: