Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRQGLMAAVLFATFALTGCGTDSAGKSADQQLQVTATTSQIADAAENIGGKHVKVTSLMGPGVDPHLYKASQGDTKKLMSADVVLYSGLHLEGKMEDVLQKIGEQKQSAAVAEAIPKNKLIPAGEGKTFDPHVWFSIPLWIYAVDEIEAQFSKAMPQHADAFRKNAKEYKEDLQYLDKWSRKEIAHIPEKSRVLVTAHDAFAYFGNEYGFKVKGLQGLSTDSDYGLRDVQELVDLLTEKQIKAVFVESSVSEKSINAVVEGAKEKGHTVTI----GGQLYSDAMGEKGTKEGTYEGMFRHNINTITKALK 3MFQ Chain:C ((8-282)) --------------------------------RVAVTTSFLNDMVYQLAGDEVERDLLIPAGEDPHLYVAKSSDLSKLQKADLVLYHGLHFEGKMVEALEKTGVAVSKNFNAKDL--NTMDEDGE-EIVDPHFWFSIPLYKSAVAVASEELQKLLPAKAEMIQKNTEKYQAQLDDLHAWVEKELSVIPKESRYLVTPHDAFNYFAASYDFTLYAPQGVSTDSEVANSDMIETVNLIIDHNIKAIFTESTTNPERMKKLQEAVKAKGGQVEVVTGEGKELFSDSLAPEGEEGDTFIDMYKHNVKLMVKYLK

General information: TITO was launched using: RESULT: Template: 3MFQ.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1394 -103979 -74.59 -383.69 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain C : 0.77 3D Compatibility (PKB) : -74.59 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.575

(partial model without unconserved sides chains): PDB file : Tito_3MFQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3MFQ-query.scw PDB file : Tito_Scwrl_3MFQ.pdb: