Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSRIRKAPAGILGFPVAPF-NTQGKLEEEALFQNIEFLLNEGLEAIFIACG-SGEFQSLSQKEYEQMVEVAVSAAGGKVPVYTGVGGNLSTALDWAQLSEKKGADGYLI---LPPYLVHGEQEGLYQYAKTIIESTDLNAILYQRDNAVLSVEQIKRLTECEQLVGVKDGVGNMDLNINLVYTIGD--RLGWLNGMPMAEVTMPAYLPIGFHSYSSAISNYIPHISRMFYDALKNGNDELVKELYRHVILPINDIR-KQRKGYAVSLIKAGMEIMGLNVRNTARPPVGPVEKDHYQQLEAILKQAADRFPKKAATV 3E96 Chain:A ((10-297)) -----KALETISGIPITPFRKSDGSIDWHHYKETVDRIVDNGIDVI-VPCGNTSEFYALSLEEAKEEVRRTVEYVHGRALVVAGIGYATSTAIELGNAAKAAGADAVMIHMPIHPYVTAG---GVYAYFRDIIEALDFPSLVYFKDPEI-SDRVLVDLAPLQNLVGVKYAINDLPRFAKVVRSIPEEHQIAWICG--TAEKWAPFFWHAGAKGFTSGLVNLLPQKAVEMLEALRNNDNDAVWRIWEDIV-PFEDLRGKYNQGNNVVVIKEAMEMLRQNAGVT-RAPVNELSNEDKQLVTELL--------------

General information: TITO was launched using: RESULT: Template: 3E96.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 : 1527 -180161 -117.98 -643.43 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -117.98 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.544

(partial model without unconserved sides chains): PDB file : Tito_3E96.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3E96-query.scw PDB file : Tito_Scwrl_3E96.pdb: