Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAMIKFDHVDKYYGKFHALKNINLEFEKGEVVVVIGPSGSGKSTMLRCINGLETISSGKLLINDTDLHDKKTKLTEVRKNIGMVFQHFNLYPNKTVLENITLAPIKVLKQDQATAVKNAEKFLKTVNMLDKKDSYPSMLSGGQQQRVAIARGLAMNPEMLLFDEPTSALDPEMIGDVLDVMKKLAHDGMSMIVVTHEMGFAKEVADRVIFMADGEVLEDSRNVRDFFENPNEVRAQQFISKVINH 2Q0H Chain:B ((22-262)) LQMIDVHQLKKSFGSLEVLKGINVHIREGEVVVVIGPSGSGKSTFLRCLNLLEDFDEGEIIIDGINLKAKDTNLNKVREEVGMVFQRFNLFPHMTVLNNITLAPMKVRKWPREKAEAKAMELLDKVGLKDKAHAYPDSLSGGQAQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLSVMKQLANEGMTMVVVTHEMGFAREVGDRVLFMDGGYIIEEGKP-EDLFDRPQHERTKAFLSKV---

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 : 1253 -158483 -126.48 -657.60 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain B : 0.90 3D Compatibility (PKB) : -126.48 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.90 QMean score : 0.532

(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: