Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MARRDQDKLTGKQKAAILMISLGLDVSASVYKHLTDEEIERLTLEISGVRSVDHQKKDEIIEEFHNIAIAQDYISQGGLSYARQVLEKALGEDKAENILNRLTSSLQVKPFDFARKAEPEQILNFIQQEHPQTMALILSYLDPVQAGQILSELNPEVQAEVARRIAVMDRTSPEIINEVERILEQKLSSAFTQDYTQTGGIEAVVEVLNGVDRGTEKTILDSLEIQDPDLAEEIKKRMFVFEDIVTLDNRAIQRVIRDVENDDLLLSLKVASEEVKEIVFNNMSQRMVETFKEEMEFMGPVRLKDVEEAQSRIVSIVRKLEEAGEIVIARGGGDDIIV 3USY Chain:A ((117-336)) ------------------------------------------------------------------------------------------------------------KNFAYLGKIKPQQLADFIINEHPQTIALILAHMEAPNAAETLSYFPDEMKAEISIRMANLGEISPQVVKRVSTVLENKLES-LTSYKIEVGGLRAVAEIFNRLGQKSAKTTLARIESVDNKLAGAIKEMMFTFEDIVKLDNFAIREILKVADKKDLSLALKTSTKDLTDKFLNNMSSRAAEQFVEEMQYLGAVKIKDVDVAQRKIIEIVQSLQEKG--VIQTG-------

General information: TITO was launched using: RESULT: Template: 3USY.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 : 678 -117860 -173.83 -535.73 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -173.83 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.736

(partial model without unconserved sides chains): PDB file : Tito_3USY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3USY-query.scw PDB file : Tito_Scwrl_3USY.pdb: