Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKLATLLLLSTVALAGCSSVQRSLRGDDYVDSSLAAEESSKVAAQSAKELNDALTNENANFPQLSKEVAEDEAEVILHTSQGDIRIKLFPKLAPLAVENFLTHAK----EGYYNGITFHRVIDGFMVQTGDPKG-DGTGGQSIWHDKDKTKDKGTGFKNEITPYLYNIRGALAMANTGQPNTNGSQFFINQNSTDTSSKLPTSKYPQKIIEAYKEGGNPSLDGKHPVFGQVIGGMDVVDKIAKAEKDEKDKPTTAITIDSIEVVKDYDFKS 3K2C Chain:B ((40-168)) --------------------------------------------------------------------------------SLGRIVMKLEDDIVPKTAKNFRTLCERPKGEGY-KGSTFHRIIPGFMVQGGDYTAHNGTGGRSIYGEK---------FPDENFELKHTKEGILSMANCG-AHTNGSQFFITLGKTQW------------------------LDEKHVVFGEVVEGMDVVHKIAK----------------------------

General information: TITO was launched using: RESULT: Template: 3K2C.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 584 22938 39.28 184.98 target 2D structure prediction score : 0.79 Monomeric hydrophicity matching model chain B : 0.69 3D Compatibility (PKB) : 39.28 2D Compatibility (Sec. Struct. Predict.) : 0.79 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.567

(partial model without unconserved sides chains): PDB file : Tito_3K2C.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3K2C-query.scw PDB file : Tito_Scwrl_3K2C.pdb: