Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFKTFLKDKEKIVNALQLPYSNAKLEATNNLIKLIKHNAFGFRNFENFKKERTKFVLSRSSLSSTHYS------------------------------------------------------------------------------------------------------- 4UN1 Chain:B ((21-179)) MSHQFSPEEQAVLRIVQ-----ANLPDSLTPYADLAEQA-------GMTEAQVLELLGRLKASGAIRRFGASIKHQKTGWTHNAMVAWKVTPDQVDDCGRKAAEHSHISHVYYRPSSAPDWPYEMYTMIHGRSEAECLGVVEDVKRTTSLKEHAILRSLKELKKTSMTYFT

General information: TITO was launched using: RESULT: Template: 4UN1.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 : 158 -11240 -71.14 -200.71 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain B : 0.58 3D Compatibility (PKB) : -71.14 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.450

(partial model without unconserved sides chains): PDB file : Tito_4UN1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4UN1-query.scw PDB file : Tito_Scwrl_4UN1.pdb: