Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVRINKMNGKHVDIYIGKLNDFLNRKQHDFPDFRTFNEYKKQQIQLIKNKLIAQKLEIAPTDLVFAKHEYGKPYLLDHALHFNHSHSQQYYALALSERVKDIGIDVEELDRKVRLDSLAQHAFHPDEYATWQSLEQDREYWFKVWTTKEAVLKASGLGIRLDLNTLNTQAPPTNHGGLCSHELIGTFAYQNFVLGNMILTVAWRSEQSCRGFQFPSIQIHSLDR 1QBA Chain:? ((174-310)) ---------------------------------------SNADLQTLPAGALRGKIVPTPMQVKVHAQDAD----LRKGVALDLSTLVKPAADVVSQRFALLGVPVQTNGYPIKTDIQPGKFKG--------AMAVSGAYELKIGKKEAQVIGFDQAGVFYGLQSILSLVPSDGSGKIATLDASDAPR------------------------------------

General information: TITO was launched using: RESULT: Template: 1QBA.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 : 643 -59924 -93.19 -437.40 target 2D structure prediction score : 0.31 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -93.19 2D Compatibility (Sec. Struct. Predict.) : 0.31 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.291

(partial model without unconserved sides chains): PDB file : Tito_1QBA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1QBA-query.scw PDB file : Tito_Scwrl_1QBA.pdb: