Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSGLLFVVSAASGTGKTSLVKALL-DRVSNLHVSVSHTTRGQRPGELDGVHYHFTTKDEFLDQVNQGGFIEYAEVFGNYYGTSQATVKQQLAQGHDVLLEIDWQGAEQVRKLFPESKQIFILPPTQFDLRQRLSNRGTDSVEVIEHRLSCAVEDMQHYVNFDYIIINDDFNKALHELEAVITANRLVLSQQAKRHQNLIQDLITPQPKQE 4QRH Chain:D ((8-203)) -KGLLIVLSGPSGVGKGTVRKRIFEDPSTSYKYSISMTTRQMREGEVDGVDYFFKTRDAFEALIKDDQFIEYAEYVGNYYGTPVQYVKDTMDEGHDVFLEIEVEGAKQVRKKFPDALFIFLAPPSLEHL--------------IQSRINEARKEVEMMNLYDYVVVNDEVELAKNRIQCIVEAEHLKRERVEAKYRK-------------

General information: TITO was launched using: RESULT: Template: 4QRH.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 760 -35298 -46.44 -195.01 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain D : 0.78 3D Compatibility (PKB) : -46.44 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.500

(partial model without unconserved sides chains): PDB file : Tito_4QRH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4QRH-query.scw PDB file : Tito_Scwrl_4QRH.pdb: