Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGNTRKKVSVIGAGFTGATTAFLIAQKELADVVLVDIPQLENPTKGKALDMLEASPVQGFDAKITGTSNYEDTAGSDIVVITAGIARKPGMSRDDLVSTNEKIMRSVTQEIVKYSPDSIIVVLTNPVDAMTYAVYKESGFPKERVIGQSGVLDTARFRTFVAEELNLSVKDVTGFVLGGHGDDMVPLVRYSYAGGIPLETLIPKERIDAIVERTRKGGGEIVNLLGNGSAYYAPAASLTEMVEAILKDQRRVLPTIAYLEGEYGYEGIYLGVPTIVGGNGLEQIIELELTDYERAQLNKSVESVKNVMKVLS 1UXJ Chain:C ((2-306)) ----RKKISIIGAGFVGSTTAHWLAAKELGDIVLLDI--VEGVPQGKALDLYEASPIEGFDVRVTGTNNYADTANSDVIVVTSGA--------EDLIKVNADITRACISQAAPLSPNAVIIMVNNPLDAMTYLAAEVSGFPKERVIGQAGVLDAARYRTFIAMEAGVSVKDVQAMLMGGHGDEMVPLPRFSTISGIPVSEFIAPDRLAQIVERTRKGGGEIVNLLKTGSAYYAPAAATAQMVEAVLKDKKRVMPVAAYLTGQYGLNDIYFGVPVILGAGGVEKILELPLNEEEMALLNASAKAVRATLDTL-

General information: TITO was launched using: RESULT: Template: 1UXJ.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1737 -231497 -133.27 -779.45 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain C : 0.88 3D Compatibility (PKB) : -133.27 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.88 QMean score : 0.565

(partial model without unconserved sides chains): PDB file : Tito_1UXJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1UXJ-query.scw PDB file : Tito_Scwrl_1UXJ.pdb: