Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSEQMVKEKPERAVIVPKQNHVLEVKD---LSIYYGNKQAVHHVNMDIEKNAVTALIGPSGCGKSTFLRNINRMNDLIPSARAEGEILYEGLNILGGNINVVSLRREIGMVFQKPNPFPK-SIYANITHA----LKYAGERNKAVLDEIVEESLTKAALWDEVKDRLHSSALSLSGGQQQRLCIARTLAMKPAVLLLDEPASALDPISNAKIEELITGLKRE-YSIIIVTHNMQQALRVSDRTAFFLNGELVEYGQTEQIFTSPKKQKTEDYINGKFG 2Q0H Chain:A ((23-263)) -----------------------QMIDVHQLKKSFGSLEVLKGINVHIREGEVVVVIGPSGSGKSTFLRCLNLLEDF-----DEGEIIIDGINLKAKDTNLNKVREEVGMVFQRFNLFPHMTVLNNITLAPMKVRKWPREKAEAKAMEL----LDKVGL----KDKAHAYPDSLSGGQAQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLSVMKQLANEGMTMVVVTHEMGFAREVGDRVLFMDGGYIIEEGKPEDLFDRPQHERTKAFLSKVF-

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 : 1208 22356 18.51 96.36 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : 18.51 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.474

(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: