Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKAYTVEQGIVAPLDRANVDTDLIIPKQFLKSIKRTGFGDNLFDELRYLDEGYPGQDNSVRPKNPDFVLNQPRYQGATVLIARTNFGCGSSREHAPWALNEYGFRTVIAPSFADIFFNNCFKNGMLPVILPEDIVDQLFKECAAQEGYQLTIDLAAQEVRTPTGEAFKFEVDPFRKHCLLNGLDDIGLTLQNADAIRAYEEKTKQVRPWVFQEIN 2HCU Chain:A ((18-189)) MEEFTIYTGTTVPLMNDNIDTDQILPKQFLKLIDKKGFGKYLMYEWRYLDNN--------YTENPDFIFNQPEYREASILITGDNFGAGSSREHAAWALADYGFKVIVAGSFGDIHYNNDLNNGILPIIQPKEVRDKLA-KLK--PTDEVTVNLFEQKIYSP-VGDFSFDIDGEWKHKLLNGLD-------------------------------

General information: TITO was launched using: RESULT: Template: 2HCU.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 : 874 -127023 -145.33 -738.50 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : -145.33 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.493

(partial model without unconserved sides chains): PDB file : Tito_2HCU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2HCU-query.scw PDB file : Tito_Scwrl_2HCU.pdb: