Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MYLKLLLYRLNESGHPIEFEKANLPQGLSAEIADSFRGWGIELSGKIAKSTAF--------------------------------------------------------------------------------------------------------------------------------------------- 4XFK Chain:A ((9-399)) AEPLKIALVETLSGPQASTGLLYRAAVLYQLGKINEAGGFNGEKIQILEYDNQGGPVGAADRVKAAIADGAQIIVQGSSSAVAGQITEDVRKYNLRNKGKEVLYLNLGAEALELTGSKCHFYHFRFSPNAAIRFKTVAQGMKDKGILGERAYSINQNYSWGVDVENTVVANAKEIGYEVVDKTLHEVNKIQDFSPYVAKIQAANVDTVFTGNWSNDLLLLMKAASGAG-------------LKAKFATSF----LDQPGNIGNAGAIAEGHIVSTPFNPEANGEASMAFAEDYKKVTGHYPSYVEPAAVFGLQLFGEALKNVKPGEGKINTTDIALAIENASVKTPMGDYSMRSDDHQAKFPMVVQEVSKKARIKADGTEYGFLPFKTFTGDESIDPVQESCSMKRPG

General information: TITO was launched using: RESULT: Template: 4XFK.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 : 43 -232 -5.40 -6.44 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.54 3D Compatibility (PKB) : -5.40 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.54 QMean score : 0.297

(partial model without unconserved sides chains): PDB file : Tito_4XFK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XFK-query.scw PDB file : Tito_Scwrl_4XFK.pdb: