Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNQMKDTILLAGLGLIGGSIALAIKKNHPGKRIIGIDISDEQAVAALKLGVIDDRADSFISGVKEAAT--VIIATPVEQTLVMLEELAHSGIEHELLITDVGSTKQKVVDYADQVLPSRYQFVGGHPMAGSHKSGVAAAKEFLFENAFYILTPGQKTDKQAVEQLKNLLKGTNAHFVEMSPEEHDGVTSVISHFPHIVAASLVHQTHHSENLYPLVKRFAAGGFRDITRIASSSPAMWRDILLHNKDKILDRFDEWIREIDKIRTYVEQEDAENLFRYFKTAKDYRDGLPLRQKGAIPAFYDLYVDVPDHPGVISEITAILAAERISITNIRIIETREDINGILRISFQSDDDRKRAEQCIEARAEYETFYAD 3GGO Chain:B ((35-310)) ------NVLIVGVGFMGGSFAKSLRRSGFKGKIYGYDINPESISKAVDLGIIDEGTTS-IAKVEDFSPDFVMLSSPVRTFREIAKKLSYI-LSEDATVTDQGSVKGKLVYDLENILGKR--FVGGHPIAGTEKSGVEYSLDNLYEGKKVILTPTKKTDKKRLKLVKRVWEDVGGVVEYMSPELHDYVFGVVSHLPHAVAFALVDTLIHMSTPEVDLFKYPGGGFKDFTRIAKSDPIMWRDIFLENKENVMKAIEGFEKSLNHLKELIVREAEEELVEYLKEVKIKR---------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3GGO.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 : 1336 12394 9.28 45.23 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain B : 0.74 3D Compatibility (PKB) : 9.28 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.466

(partial model without unconserved sides chains): PDB file : Tito_3GGO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3GGO-query.scw PDB file : Tito_Scwrl_3GGO.pdb: