Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----------------------------------------------------MEGKNKKNRPVSWFWRWFLNNQVVTALLVVLLILLIVFLFTKVSYLFAPIWQFLAIVGLPIILA--GILYYLMNPVVDYFEKRKVPRLY--------------SIIGLFVLVVAL---------------IAWGSVVIIPKIQEQ------TVSFISNFPQYVDTIDNKLTEILRDPLFNQFREQLETAGDKFMNSAGDMIQDISKSTVQSLGSFVGAVAT----ILVALLTMPFILFYLLKDGKQLAPYFVKFLP-----TRMQKPTLNVLSEMNSQVSSYIRGQLTVAFA-------------VAIMFMIGFAVIGLEYAVTLGIIAG---FLNLIPYLGSFLAMIPA-----IFLAIVAGPFMIIKVLIVFAVEQTIEGRLISPLVLGNQ------------------LAIHPVTILLVLLTSGKLFGIIGVILGIPVYAAAKVVITHVFEWYTTISSLYEENPLKKQKE-------------------------------------- 1QME Chain:A ((23-702)) TVPAKRGTIYDRNGVPIAEDATSPNRSYPNGQFASSFIGLAQLHENEDGSKSLLGTSGMESSLNSILAGTDGRTMDGKDVYTTISSPLQSFMETQMDAFQEKVKGKYMTATLVSAKTGEILATTQRPTFDADTKEGITEDFVWRDILYQSNYEPGSTMKVMMLAAAIDNNTFPGGEVFNSSELKIADATIRDWDVNEGLTGGRMMTFSQGFAHSSNVGMTLLEQKMGDATWLDYLNRF-----KFGVPTRFGLTDEYAGQLPADNIVNIAQSSFGQGISVTQTQMIRAFTAIANDGVMLEPKFISAIYDPNDQTARKSQKEIVGNPVSKDAASLTRTNMVLVGTDPVYGTMYNHSTGKPTVTVPGQNVALKSGTAQIADEKNGGYLVGLTDYIFSAVSMSPAENPDFILYVTVQQPEHYSGIQLGEFANPILERASAMKDSLNLQQSPYPMPSVKDISPGDLAEELRRNLVQPIVVGTGTKIKNSSAEEGKNLAPNQQVLILSDKAEEVPDMYGWTKETAETLAKWLNIELEFQGSGSTVQKQDVRANTAIKDIKKITLTLGD

General information: TITO was launched using: RESULT: Template: 1QME.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 : 2165 -108459 -50.10 -283.18 target 2D structure prediction score : 0.34 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -50.10 2D Compatibility (Sec. Struct. Predict.) : 0.34 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.134

(partial model without unconserved sides chains): PDB file : Tito_1QME.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1QME-query.scw PDB file : Tito_Scwrl_1QME.pdb: