Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSIQVKNIEKHFGAFHALKNISLDFPEGELVALLGPSGCGKTTLLRIIAGLESAEGGQVLLEG----EYATNVHVRERQVGFVFQHYALFRHMTVFDNIAFG-LRVRPRATRPSEAEIKKRVTRLLDLVQLGFLADRYPAQLSGGQRQRIALARALAVEPRVLLLDEPFGALDAKVRKELRRWLRNLHDELHITSIFVTHDQEEALEVADQIIVMNKGNVEQIGSLREVYEKPATPFVFDFLGQANRFEGEHASGIIRIGNDRIELPTTVQAPQGKVIAFARPDELHIHAQPQANTIEATFVREVWIAGKVVAELQDRNGRLIEIALSSEAAKQHAFKPNQTVWVSASQLHLFADQVA 2Q0H Chain:B ((25-250)) --IDVHQLKKSFGSLEVLKGINVHIREGEVVVVIGPSGSGKSTFLRCLNLLEDFDEGEIIIDGINLKAKDTNLNKVREEVGMVFQRFNLFPHMTVLNNITLAPMKVRKWPREKAEA----KAMELLDKVGLKDKAHAYPDSLSGGQAQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLSVMKQLANE-GMTMVVVTHEMGFAREVGDRVLFMDGGYIIEEGKPEDLFDRP-----------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2Q0H.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 : 1129 -26082 -23.10 -118.02 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain B : 0.72 3D Compatibility (PKB) : -23.10 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.428

(partial model without unconserved sides chains): PDB file : Tito_2Q0H.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2Q0H-query.scw PDB file : Tito_Scwrl_2Q0H.pdb: