Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSADTQHFTGTDQYIATDSLKLAVKAARALQKPLLVKGEPGTGKTLLAEQVAESLGLKLITWHIKSTTKAQQGLYEYDAVSRLRDSQLGDDRVYDIKNYIKPGKLWEAFTSEERCVLLIDEIDKADI----EFPNDLLHELDKMSFYVYETGETITATQRPIVIITSNNEKELPDAFLR--RCF-FHYIEFPDEATMREIISVHFPNISVTLVNEALQVFFKLREIPNLKKPPSTSELIDWLSLLMADDMPEDVLRNRDTSKAIPPLYGALIKNEQDVQLLERLAFMSRR 4WW0 Chain:B ((50-233)) -----------------------------PPKGVLLYGEPGVGKTLLAKAIAGEAHVPFISVSGSDFVEMFV----------------GVG-AARVRD------LFETAKKHAPCMIFIDEIDAVGRDEREQTLNQLLVEMDGF-----------DTSDGIIVIAATNRPDILDPALLRPGRFDRQIFIPKPDVRGRYEILKVHAR------------------------------------------------------------------------------------

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 B - contact count / total energy / energy per contact / energy per residue : 625 -27839 -44.54 -204.70 target 2D structure prediction score : 0.75 Monomeric hydrophicity matching model chain B : 0.62 3D Compatibility (PKB) : -44.54 2D Compatibility (Sec. Struct. Predict.) : 0.75 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.478

(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: