Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDYLKRLLVGKPLKSAENDEHKLTRFAALALLSSDALSSIAYGTEQIVVVLVALSAAAIWYSLPIAAFV-IILLISLTLSYRQIIHAYPHGGGAYVVSSENLGKNA-GLISGGSLLIDYMLTVAVSVSAGAEAITSAVPALY--GHQVAISVTIVLLLMMLNLRGLRESASFLLFPVYTFILVISLLIVVGLYNIVTGAVPLQATALPGAAVPGVSIALILRAFSSGSSSLTGVEAISNAVPFFKKPRAKNAAATLTMMALILGFFFVGITFINYWYGIVPE-----KEVTVLSQIGKAVFGHGILYYVLQFATALILAVAANTGFSAFPVLAYNLAKDKFMPHMYQDRGDRLGYSNGIITLALGSIVLLFIFHGSTERLIPLYSIGVFIPFALSQTGMVVKWKKEGKRWLSKSIANITGAFISYAIIAILFVYRLGDIWPFFIIMPIVMFIFYKIHDHYKKVAEQLRLENDAKLHDYDGNTVLVLVGNVTRVNIGALNYARSIGDYVVAMHVSLDEDVEKEKEIEAEFKKHFPDVRFSIVHSSYRSIENPIIRYVDIVSKNAAKQNYTTTVLIPQFVPNRRWQNILHNQTSLRLRLRLSWRENIVVSTYSYHLKK 3GIA Chain:A ((3-370)) -----------------LKNKKLSLWEAVSMAVGVMIGASIFSIFGVGAKIA--G-----RNLPETFILSGIYALLVAYSYTKLGAKIVSNAGPIAFIHKAIGDNIITGALSILLWMSYVISIALFAKGFAGYFLPLINAPINTFNIAITEIGIVAFFTALNFFGSKAVGRAEFFIVLVKLLILGLFIFAGLITIHPSYVIPD--------LAPSAVSGMIFASAIFFLSYMGFGVITNASEHIENPK-KNVPRAIFISILIVMFVYVGVAISA--IGNLPIDELIKASENALAVAAKPFLGNL-GFLLISIGALFSISSAMNATIYGGANVAYSLAKDGELPEFFERKVWFKST-EGLYITSALGVLFALL--FNMEGVASITSAVFMVIYLFVILSHYILIDEVG-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3GIA.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 : 2022 -233637 -115.55 -650.80 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -115.55 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.339

(partial model without unconserved sides chains): PDB file : Tito_3GIA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3GIA-query.scw PDB file : Tito_Scwrl_3GIA.pdb: