Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLYTLGQKIGEGGCSEVFEVGDNRIIKLAKENTSFEALRREYLNNCIAWE-CGLPIPQPFELTKMS---GRPGIVFEHIAGKTMMERFFNQVIVSHNNEVKQADVQLTAQLLFRVHQALAEGKEL---PCQKSIIKSNILS----VN-YLSASEKESAISLL----E---SLETKQCLCHGDPNPRNVIVKD--DGEAILLDWMNATIGNPEADIAEYIVMIRYAVLPSSFPEETRDMFDSIREDLIDIFIDEYYRLSGIS-YDDVVPWIIPILARKLSADAISDVEKKKLVAEIRRDLGKQKNRV 3N4U Chain:A ((25-280)) -----IEISGEGNDCIAYEINRDFIFKFPKHSRGSTNLFNEVNILKRIHNKLPLPIPEVVFTGMPSETYQMSFAGFTKIKGVPLTPLLLN----NLPKQSQNQAAKDLARFLSELHSINISGFKSNLVLDFREKINEDNKKIKKLLSRELKGPQMKKVDDFYRDILENEIYFKYYPCLIHNDFSSDHILFDTEKNTICGIIDFGDAAISDPDNDFISLMEDDE--EY---------------GMEFVSKILNHYKHKDIPTVLEKYRMKEKYWSFEKIIYGK------------------------

General information: TITO was launched using: RESULT: Template: 3N4U.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 : 986 -4267 -4.33 -18.24 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -4.33 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.297

(partial model without unconserved sides chains): PDB file : Tito_3N4U.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3n4u-query.scw PDB file : Tito_Scwrl_3N4U.pdb: