Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIKELYEEVQGTVYKCRNEYYLHLWELSDWDQEGMLCLHELISREEGLVDDIPRLRKYFKTKFRNRILDYIRKQESQKRRYDKEPYEEVGEISHRISEGGLWLDDYYLFHETLRDYRNKQSKEKQEELE-RVLSNERFRGRQRVLRDLRIVFKEFTIRTH 5WUQ Chain:A ((19-156)) AFADIVDIYKDKIYQLCYRMLGNVHEAEDIAQEAFIRAYVNIDSFDI----NRKFSTWLYRIATNLTIDRIRKKKPDYYLD-------------------------LELSNTIQQKILKLPDKYRTVIVLKYIDELSLI---------------------

General information: TITO was launched using: RESULT: Template: 5WUQ.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 311 -24993 -80.36 -229.29 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -80.36 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.442

(partial model without unconserved sides chains): PDB file : Tito_5WUQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5WUQ-query.scw PDB file : Tito_Scwrl_5WUQ.pdb: