Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKIVESTTFPRTKQSITEDLKALGLKKGMTVLVHSSLSSIGWVNGGAVAVIQALIDVVTEEGTIVMPSQSVELSDPKEWGNPPVPEEWWDIIRESMPAYNSNYTPTTRGMGQIVELFRSYPEVKRSNHPNYSFVAWGKHKNKILNQHPLEFGLGEQSPLGKLYIRESYVLLLGADFDSSTCFHLAEYRIPYQKIINRGAPIIVEGKRVWKEYKELEFREELFQEVGQAFEAEHNMKVGKVGSANCRLFSLTEAVDFAEKWFINNDSKNIKK 2NYG Chain:E ((12-271)) ----------PRTKQSITEDLKALGLKKGMTVLVHSSLSSIGWVNGGAVAVIQALIDVVTEEGTIVMPSQSVELSDPKEWGNPPVPEEWWDIIRESMPAYNSNYTPTTRGMGQIVELFRSYPEVKRSNHPNYSFVAWGKHKNKILNQHPLEFGLGEQSPLGKLYIRESYVLLLGADFDSSTCFHLAEYRIPYQKIINRGAPIIVEGKRVWKEYKELEFREELFQEVGQAFEAEHNMKVGKVGSANCRLFSLTEAVDFAEKWFINNDSKNI--

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 E - contact count / total energy / energy per contact / energy per residue : 1431 -158959 -111.08 -611.38 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain E : 0.98 3D Compatibility (PKB) : -111.08 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.98 QMean score : 0.551

(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: