Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKLATLLLLSTVALAGCSSVQRSLRGDDYVDSSLAAEESSKVAAQSAKELNDALTNENANFPQLSKEVAEDEAEVILHTSQGDIRIKLFPKLAPLAVENFLTHAKEGYYNGITFHRVIDGFMVQTGDPKGDGTGGQSIWHDKDKTKDKGTGFKNEITPYL-YNIRGALAMANTG---QPNTNGSQFFINQNSTDTSSKLPTSKYPQKIIEAYKEGGNPSLDGKHPVFGQVIGGMDVVDKIAKAEKDEKDKPTTAITIDSIEVVKDYDFKS 2QER Chain:A ((19-173)) ---------------------------------------------------------------------------VRIITNYGDLKFELFCSQCPKACKNFLALSASGYYKNTIFHKNIKGFIIQGGDPTGTGKGGESIY---------GRYFDDEIYPELKYDRRGILSMAS--ASKKPNTNGSQFFITYSSL------------------------PQLNGEYVIFGKLIDGFETLNTLENCPSDKSHKPIDEIIIKDIVI--------

General information: TITO was launched using: RESULT: Template: 2QER.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 : 751 -27516 -36.64 -184.67 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -36.64 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.655

(partial model without unconserved sides chains): PDB file : Tito_2QER.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2QER-query.scw PDB file : Tito_Scwrl_2QER.pdb: