Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNITKSTVANRMQLLKLAGCLEFFIDHFDEMLKNDTPILEILDQLLLAEQNHVTNKKVFNLLKKSNIRYLNSHLMEIDCSNKVGLNKEVLSSFMDCQWIKSKHNLIFTGATGIGKTWLASAFGTHVCKQGLKVLFFDTTELFEEFETASRLGTISLLKKKLLSCQLLILDDFGLSKVRVNWM-AHFISVIDKHTDH-GSLLITSQYETKIWLNHFE------DQTLGEALLDRIIHRAHIFNLQGESMRKKRGKSIAE 5HE9 Chain:A ((24-168)) ----------------------------------------------------------------------------------------------------QVKGLYLYGPFGTGKSFILGAIANQLKSKKVRSTIIYLPEFIRTLKGGFKDGSFEKKLHRVREANILMLDDIGAEEVTPWVRDEVIGPLLHYRMVHELPTFFSSNFDYSELEHHLAMTRDGEEKTKAARIIERVKSLSTPYFLSG-------------

General information: TITO was launched using: RESULT: Template: 5HE9.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 : 536 -45815 -85.48 -334.42 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -85.48 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.538

(partial model without unconserved sides chains): PDB file : Tito_5HE9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5HE9-query.scw PDB file : Tito_Scwrl_5HE9.pdb: