Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIPIYICEDDPKQLEVLSTVIKNRIMIENLDSYVHISTSDPEELLNAAKIRTSSFGIYFLDIELEDSEMDGVAIGKLIRELDPLGKIIYVTSHTEMSMKILKSNIEPTDYIVKEDLYDLKENVEHILSKIFEDFQMSQIQKDIFKIEFNDEIKFLPIKDIQYFSTSLGAPHKLEVHLTHAQLQFYEKIKEIEKMHRNFIRCHKSYVINTQNVRSINKKTREVTLANGETIPASIRGLKKLIS 4XQN Chain:G ((14-99)) ---------------------------------------------------------------------------------------------------------------------------------------------------------YVQYDDIMFFESSTKS-HRLIAHLDNRQIEFYGNLKELSQLDDRFFRCHNSFVVNRHNIESIDSKERIVYFKNKEHCYASVRNVKKI--

General information: TITO was launched using: RESULT: Template: 4XQN.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain G - contact count / total energy / energy per contact / energy per residue : 369 -45623 -123.64 -530.49 target 2D structure prediction score : 0.36 Monomeric hydrophicity matching model chain G : 0.62 3D Compatibility (PKB) : -123.64 2D Compatibility (Sec. Struct. Predict.) : 0.36 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.362

(partial model without unconserved sides chains): PDB file : Tito_4XQN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XQN-query.scw PDB file : Tito_Scwrl_4XQN.pdb: