Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MANGNKQAGQRISPSLTLLLATACGIIVANLYYAQPLVGLISKAIGLSPSGAGLIVTLTQIGYVAGLLFLVPLGDIIENKKLIVVSLLLSAAALTLTAFV---KHGTLFLAAAFFVGLGS-IAAQVLVPFASYLASDAARGRVVGNVMSGLLLGIMLSRPIS--SLVADIWGWNAIFALSAVVSVILAIVLSKVLPARKPTA---NTNYT---AL----------L-------GS---MWKLLRTTPVLRRRAIYHAFVFGAF----SLFWTTVPLLLSGPDFHFSQKAIALY-ALVGIAGAVTAPIGGRLADRGLTRLATGIALGVVVVSLLLPLM--IQSSSP-VGITVLVAAAILLDMGVSA-NLVLSQRAIFS-LAPEIRSRLNGLFMAIFFLGGAIGSSIGGWAYASGGWSTALWIGIAFPVIALLYFITEK 4YB9 Chain:D ((69-439)) -------------------------------------------------LLWSVTVSMFPFGGFLGSLMVGPLVNNLGRKGTLLFNNIFSIVPALLMGFSELAKSFEMIIVARVLVGICAGLSSNVVPMYLGELAPKNWRGALGVVPQLFITIGILVAQIFGLRSLLANEEGWPILLGLTGIPAVLQLLFL-PFFPESPRYLLIQKKDEAAAKSALRRLAEIEEILEEDRAEKAVGFISVLKLFKMRSLRWQVISIIVLMAGQQLSGVNAIYYYADQIY-LSAGVNEDDVQYVTAGTGAVNVLITVCAIFVVELMGRRFLLLLGFSVCFTACCVLTGALALQDVISWMPYVSIACVISYVIGHALGPSPIPALLVTEIFLQSSRPAAYMVAGTVHWLSNFTVGLVFPFIQVGLGA----------------------

General information: TITO was launched using: RESULT: Template: 4YB9.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1298 -210227 -161.96 -652.88 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain D : 0.63 3D Compatibility (PKB) : -161.96 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.291

(partial model without unconserved sides chains): PDB file : Tito_4YB9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YB9-query.scw PDB file : Tito_Scwrl_4YB9.pdb: