Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MATGKEKNAKNPMSLLIVLMAGLFLAILNQTLLNVAMPHLMTEF-GVSATTIQWLTTGYMLVNGVLIPLSAFLITRFGQRSLFLVAMFCFTLGTLVCGIAP------------NFSTM---LIGRLIQAVGGGILQ-----PLVMTTILLIFPPESRGKGMGIFGLAMMFAPAVGPTLSGWIIEHYTWRIMF---YGLVPIGAIVIIVAFFIFKNMVEPQKIKLDTLGAILSIVGFASLLYGVSEAGSDGWTDPIVLSTVIIGAIAIVAFVVQQLRHDDPMLDFRVFKYDIFSLSSVINIIITVALYTGMFLLPIYLQNLVGFTALQSGLLLLPGAIVMLIMSPISGILFDKFGPRPLAIIGL----LVTVVTTYQYTQLTIDTPYTHIMLIYSIRAFGMSLLMMPVMTAGMNQLPARLNSHGTAMSNTLRQISGSIGTSLITTIYTNRTTFHYSQIADKTSTADPNFLHAFQNAVSNLMVNMNVSYDTAKTYVYSHIYKHASLDSNVMGINDAFMWATLFCVAGLILSIFLRDVRKDKLRKKKKEELSLLPAPKEAKES 5AYN Chain:A ((15-392)) --------------------LGRLLTRSGDQAWDFVVPFALLVIFPGKLQVAAFYYLIVKIGTFLLTPSSGKWIDTHPRIQVVKWGVWLQFFAILAGMVFFGMLDGLVRAGGRESWLLSVLFIALALSGVMASLGSQITDISVGNDLAPSLVAPEKLTHFNSWLRRIDLATEVGAPILAGALF-------PLAGLFLIGLWNLVSFVPEYFLLRNVIQRSGLKIKVLT------------------EA------------------------------I--NLRGSFSDPIFWLILSYALLWLSVLSPHGVLLAAYLKDEMRLPETEIGLFRGLGAVFGLISTVSFPYLVRRLGLISSSRWHLGFQGVTLGIAVTAFAM-GSTASVYVFLGCILLSRVGLYGFSNGEFELRQRLIPEGRRGELNSLSSLTTTSATLILFSA-----------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5AYN.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 : 1401 -208786 -149.03 -623.24 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : -149.03 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.190

(partial model without unconserved sides chains): PDB file : Tito_5AYN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5AYN-query.scw PDB file : Tito_Scwrl_5AYN.pdb: