Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMIIEIDKLVKRYGDFVALNHFDLQVQEGEVLGLLGPNGSGKSTAINCMLSLLNYDKGTIKLFGTTMTPENYAV---KAMIGVVPQDVAVFDELSVQENIDYFCGLYVSEKEKRKALIEEVIQLVGLEKYVSFRPGELSGGLKRRLNIACGIAHKPRLIFLDEPTVAVDPQSRNKILES-IKELNRQGATIVYTTHYMEEVEILCDQIVIMDQGQVIAKGTKESLKDMVRTADRLTIDIPLLPENVLSAIQRTIASDGIAYKKGQLQVTTTELNTVLLPILTILQEEKISYGKIATKEASLNDVFLEITGKDLRD 3FVQ Chain:A ((5-231)) ---LHIGHLSKSFQNTPVLNDISLSLDPGEILFIIGASGCGKTTLLRCLAGFEQPDSGEISLSGKTIFSKNTNLPVRERRLGYLVQEGVLFPHLTVYRNIAYGLGNGKGRTAQERQRIEAMLELTGISELAGRYPHELSGGQQQRAALARALAPDPELILLDEPFSALDEQLRRQIREDMIAALRANGKSAVFVSHDREEALQYADRIAVMKQGRILQTASPHEL------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3FVQ.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 : 1100 -60411 -54.92 -277.11 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -54.92 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.550

(partial model without unconserved sides chains): PDB file : Tito_3FVQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3FVQ-query.scw PDB file : Tito_Scwrl_3FVQ.pdb: