Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKIVESTTFPRTKQSITEDLKALGLKKGMTVLVHSSLSSIGWVNGGAVAVIQALIDVVTEEGTIVMPSQSVELSDPKEWGNPPVPEEWWDIIRESMPAYNSNYTPTTRGMGQIVELFRSYPEVKRSNHPNYSFVAWGKHKNKILNQHPLEFGLGEQSPLGKLYIRESYVLLLGADFDSSTCFHLAEYRIPYQKIINRGAPIIVEGKRVWKEYKELEFREELFQEVGQAFEAEHNMKVGKVGSANCRLFSLTEAVDFAEKWFINNDSKNIKK 2NYG Chain:B ((12-266)) ----------PRTKQSITEDLKALGLKKGMTVLVHSSLSSIGWVNGGAVAVIQALIDVVTEEGTIVMPSQSVELSDPKEWGNPPVPEEWWDIIRESMPAYNSNYTPTTRGMGQIVELFRSYPEVKRSNHPNYSFVAWGKHKNKILNQHPLEFGLGEQSPLGKLYIRESYVLLLGADFDSSTCFHLAEYRIPYQKIINRGAPIIVEGKRVWKEYKELEFREELFQEVGQAFEA----KVGKVGSANCRLFSLTEAVDFAEKWFINN-------

General information: TITO was launched using: RESULT: Template: 2NYG.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 : 1384 -152617 -110.27 -608.04 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain B : 0.97 3D Compatibility (PKB) : -110.27 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.97 QMean score : 0.539

(partial model without unconserved sides chains): PDB file : Tito_2NYG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2NYG-query.scw PDB file : Tito_Scwrl_2NYG.pdb: