Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGIALENVNFIYQEGTPLASAALSDVSLTIEDGSYTALIGHTGSGKSTILQLLNGLLVPSQGSVRVFDTLITSTSKNKDIRQIRKQVGLVFQFAENQIFEETVLKDVAFGPQNF-GVSEEDAVKTAREKLALVGIDESLFDRSPFELSGGQMRRVAIAGILAMEPSILVLDEPTAGLDPLGRKELMTLFKKLHQSGMTIVLVTHLMDDVAEYANQVYVMEKGRLVKGGKPSDVFQDVVFMEEVQLGVPKITAFCKRLADRGVSFKRLPIKIEEFKESLNG 2Q0H Chain:A ((40-247)) ----------------------LKGINVHIREGEVVVVIGPSGSGKSTFLRCLNLLEDFDEGEI-IIDG-INLKAKDTNLNKVREEVGMVFQRF-NLFPHMTVLNNITLAPMKVRKWPREKAEAKAMELLDKVGLKDKAH-AYPDSLSGGQAQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLSVMKQLANEGMTMVVVTHEMGFAREVGDRVLFMDGGYIIEEGKPEDLF----------------------------------------------

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 A - contact count / total energy / energy per contact / energy per residue : 1015 -69968 -68.93 -338.01 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -68.93 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.581

(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: