Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGFLLMGALFIVLPRTMVSAKRINQVLDLHSSIQNPVQVQLTDENFKGQVEFKDVTFRYAANSEAVIEHVSFKAETGQTVAFIGSTGSGKSTLVNLIPRFYDVSAGEILVDGVNVQDYDFSATAHAGQKVAIVGPTGAGKTTIVNLLMKFYEIDKGSIRIDGVDTKAMTRSEVHDAFSMVLQDTWLFEGTIRDNLIYNQIGISDERMMEASKAVGIHHFIMTLPDGYDTILDDT-VTLSVGQKQLLTIACALLKDASLLILDEATSSVDTRTEELIQKAMDRLMEGRTSFVIAHRLSTIRNADLILVMKDGNIIEQGNYEELMAQGGFYADLYNSQFTEDEAEE 4MRP Chain:A ((318-595)) -----LGMVYRTIRQGLIDMAEMFRLIDTHIEVADVPN-APALVVNRPSVTFDNVVFGYDR-DREILHGLSFEVAAGSRVAIVGPSGAGKSTIAR--------------------------------------------------LLFRFYDPWEGRILIDGQDIAHVTQTSLRAALGIVPQDSVLFNDTIGYNIAYGRDGASRAEVDAAAKGAAIADFIARLPQGYDTEVGERGLKLSGGEKQRVAIARTLVKNPPILLFDEATSALDTRTEQDILSTMRAVASHRTTISIAHRLSTIADSDTILVLDQGRLAEQGSHLDLLRRDGLYAEMWAR---------

General information: TITO was launched using: RESULT: Template: 4MRP.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 : 1352 -101822 -75.31 -367.59 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -75.31 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.421

(partial model without unconserved sides chains): PDB file : Tito_4MRP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4MRP-query.scw PDB file : Tito_Scwrl_4MRP.pdb: