Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MARRDQDKLTGKQKAAILMISLGLDVSASVYKHLTDEEIERLTLEISGVRSVDHQKK--------DEIIEEFHNIAIAQDYISQGGLSYARQVLEKALGEDKAENILNRLTSSLQVKPFDFARKAEPEQILNFIQQEHPQTMALILSYLDPVQAGQILSELNPEVQAEVARRIAVMDRTSPEIINEVERILEQKLSSAFTQDYTQTGGIEAVVEVLNGVDRGTEKTILDSLEIQDPDLAEEIKKRMFVFEDIVTLDNRAIQRVIRDVENDDLLLSLKVASEEVKEIVFNNMSQRMVETFKEEMEFMGPVRLKDVEEAQSRIVSIVRKLEEAGEIVIARGGGDDIIV 3HJL Chain:A ((5-325)) -----KSALSKAQKAAVLLLSLPEEVSMNIVKELSEEELQKLFALAKDLESVPEEEIENIAEELLDEIKKAGIKIKKPEEFIEN-----IKKVIPPTLAE-KFRGILELGDAEKILKEIE---KVDSRILASLLKNEHPQTIALFLSQLSPKKSAEIIQNLPEELKKEVVKRIATLENVNVQYVKELAQILLEEISSLGAKEALKLEGTAVAAELLNTLDKETRELILQSIGQEDPLLEERIREKMFTFEDIRKLSDRDIIEILKVVDKNTLMIALLGAPEDIKQKFLSNMSKRAAKLFLEDMEALGPVKKSEIEKAQRQVVNIIRKMIDEGKIE-----------

General information: TITO was launched using: RESULT: Template: 3HJL.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 : 892 -139207 -156.06 -444.75 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -156.06 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.661

(partial model without unconserved sides chains): PDB file : Tito_3HJL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3HJL-query.scw PDB file : Tito_Scwrl_3HJL.pdb: