Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSADTQHFTGTDQYIATDSLKLAVKAARALQKPLLVKGEPGTGKTLLAEQVAESLGLKLITWHIKSTTKAQQGLYEYDAVSRLRDSQLGDDRVYDIKNYIKPGKLWEAFTSEERCVLLIDEID---KADIEFP------NDLLHELDKMSFYVYETGETITATQRPIVIITSNNEKELPDAFLRRCFFH---YIEFPDEATMREIISVHFPNISVTLVNEALQVFFKLREIPNLKKPPSTSELIDWLSLLMADDMPEDVLRNRDTSKAIPPLYGALIKNEQDVQLLERLAFMSRR 4WW0 Chain:A ((52-240)) -------------------------------KGVLLYGEPGVGKTLLAKAIAGEAHVPFISVSGSDFVEMFVGV----GAARVRD-------------------LFETAKKHAPCMIFIDEIDAVGR------EREQTLNQLLVEMDG-----FDTSDGI------IVIAATNRPDILDPALLRPGRFDRQIFIPKPDVRGRYEILKVHARN-----------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4WW0.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 : 582 -27839 -47.83 -215.80 target 2D structure prediction score : 0.75 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -47.83 2D Compatibility (Sec. Struct. Predict.) : 0.75 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.539

(partial model without unconserved sides chains): PDB file : Tito_4WW0.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4WW0-query.scw PDB file : Tito_Scwrl_4WW0.pdb: