Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDYLKRLLVGKPLKSAENDEHKLTRFAALALLSSDALSSIAYGTEQIVVVLVALSAAAIWYSLPIAAFV-IILLISLTLSYRQIIHAYPHGGGAYVVSSENLGKNAGLISGGSLLIDYMLTVAVSVSAGAEAITSAVPALYG--HQVAISVTIVLLLMMLNLRGLRESASFLLFPVYTFILVISLLIVVGLYNIVTGAVPLQATALPGAAVPGVSIALILRAFSSGSSSLTGVEAISNAVPFFKKPRAKNAAATLTMMALILGFFFVGITFINYWYGIVPE----KEVTVLSQIGKAVFGHGILYYVLQFATALILAVAANTGFSAFPVLAYNLAKDKFMPHMYQDRGDRLGYSNGIITLALGSIVLLFIF-----HGSTERLIPLYSIGVFIPFALSQTGMVVKWKKEGKRWLSKSIANITGAFISYAIIAILFVYRLGDIWPFFIIMPIVMFIFYKIHDHYKKVAEQLRLENDAKLHDYDGNTVLVLVGNVTRVNIGALNYARSIGDYVVAMHVSLDEDVEKEKEIEAEFKKHFPDVRFSIVHSSYRSIENPIIRYVDIVSKNAAKQNYTTTVLIPQFVPNRRWQNILHNQTSLRLRLRLSWRENIVVSTYSYHLKK 5J4I Chain:A ((5-379)) -----------------ADAHKVGLIPVTLMVSGNIMGSGVFLLPANLAS---TG-----GIAIYGWLVTIIGALGLSMVYAKMSFLDPSPGGSYAYARRCFGPFLGYQTNVLYWLACWIGNIAMVVIGVGYLSYFFPILKDPLVLTITCVVVLWIFVLLNIVGPKMITRVQAVATVLALIPIVGIAVFGWFWFRGETYMAA---WNV--SGLGTFGAIQSTLNVTLWSFIGVESASVAAGVVKNPK-RNVPIATIGGVLIAAVCYVLSTTAIM--GMIPNAALRVSASPFGDAARMALGDT-AGAIVSFCAAAGCLGSLGGWTLLAGQTAKAAADDGLFPPIFARVNKAGTPVAGLIIVGILMTIFQLSSISPNATKEFGLVSSVSVIFTLVPYLYTCAALLLLGHGH------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5J4I.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 : 2048 -254074 -124.06 -699.93 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -124.06 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.382

(partial model without unconserved sides chains): PDB file : Tito_5J4I.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5J4I-query.scw PDB file : Tito_Scwrl_5J4I.pdb: