Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDYLKRLLVGKPLKSAENDEHKLTRFAALALLSSDALSSIAYGTEQIVVVLVALSAAAIWYSLPIAAFV-IILLISLTLSYRQIIHAYPHGGGAYVVSSENLGKNAGLISGGSLLIDYMLTVAVSVSAGAEAITSAVPALYG--HQVAISVTIVLLLMMLNLRGLRESASFLLFPVYTFILVISLLIVVGLYNIVTGAVPLQATALPGAAVPGVSIALILRAFSSGSSSLTGVEAISNAVPFFKKPRAKNAAATLTMMALILGFFFVGITFINYWYGIVPE----KEVTVLSQIGKAVFGHGILYYVLQFATALILAVAANTGFSAFPVLAYNLAKDKFMPHMYQDRGDRLGYSNGIITLALGSIVLLFIF-----HGSTERLIPLYSIGVFIPFALSQTGMVVKWKKEG-KRWLSKSIANITGAFISYAIIAILFVYRLGDIWPFFIIMPIVMFIFYKIHDHYKKVAEQLRLENDAKLHDYDGNTVLVLVGNVTRVNIGALNYARSIGDYVVAMHVSLDEDVEKEKEIEAEFKKHFPDVRFSIVHSSYRSIENPIIRYVDIVSKNAAKQNYTTTVLIPQFVPNRRWQNILHNQTSLRLRLRLSWRENIVVSTYSYHLKK 3OB6 Chain:B ((5-400)) -----------------ADAHKVGLIPVTLMVSGNIMGSGVFLLPANLAS---TG-----GIAIYGWLVTIIGALGLSMVYAKMSFLDPSPGGSYAYARRCFGPFLGYQTNVLYWLACWIGAIAMVVIGVGYLSYFFPILKDPLVLTITCVVVLWIFVLLNIVGPKMITRVQAVATVLALIPIVGIAVFGWFWFRGETYMAA---WNV--SGLGTFGAIQSTLNVTLWSFIGVESASVAAGVVKNPK-RNVPIATIGGVLIAAVCYVLSTTAI--MGMIPNAALRVSASPFGDAARMALGDT-AGAIVSFCAAAGCLGSLGGWTLLAGQTAKAAADDGLFPPIFARVNKAGTPVAGLIIVGILMTIFQLSSISPNATKEFGLVSSVSVIFTLVPYLYTCAALLLLGHGHFGKARPAYLAVTTIAFLYCIW----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3OB6.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 : 2125 -261975 -123.28 -684.01 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain B : 0.62 3D Compatibility (PKB) : -123.28 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.369

(partial model without unconserved sides chains): PDB file : Tito_3OB6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3OB6-query.scw PDB file : Tito_Scwrl_3OB6.pdb: