Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRKILGIASLIMSTGVVHAEQLNEQEQISPYSVNVTFASQYISRG--FQQTWGKPALQIGLDYANPNGLFVGTWASNVSSNYLRDASVEWDFYAGYLKTIDKFSIGMSVYYYYYPGAKSTPETGSTNYNYGEIVPQIGYGPLSLKYFITYTPDYAGYNSNTMGG-------PEGKRSRGTTYLDLNFTQPINESWTFGAHYGYERIKN----FSEANFQDMKVELIKDLGDGWTTGLAYTKAWDKDGYYRNYSNGESDAPISNPIDSTFTVSVKKVF 3U5U Chain:A ((270-448)) --------------GISHATQWME-----PWDENSASDVEAAARALDFMLGWFMEPITSG-DYPKSMKKFVGSRLPKFSPEQSKMLKGSYDF------------VGLNYYTASYVTNAS-------NFSYNTDI------------HVTYETDRNGVPIGPQSGSDWLLIYPEGIR-KILVYTKKTYNVPL----IYVTENGVDDVKNTNLTLSEARKDSMRLKYLQD-------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3U5U.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 : 633 16968 26.80 106.71 target 2D structure prediction score : 0.42 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : 26.80 2D Compatibility (Sec. Struct. Predict.) : 0.42 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.023

(partial model without unconserved sides chains): PDB file : Tito_3U5U.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3U5U-query.scw PDB file : Tito_Scwrl_3U5U.pdb: