Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKFKWDEFFVTGDPLILGAQVSIALSTIAIIFVLTYFKKWKWLWSEWITTVDHKKLGIMYIISAVIMLFRGGVDGLMMRAQLALPNNSFL-----------------DSNHYNEIFTTHGTIMIIFMAMPFLIG-LINVVVPLQIGARDVAFPYLNNLSFWTFFVGAMLFNISFVIGGSPNA-----GWTSYMPLASNDMSPGPGENYYLLGLQIAGIGTLMTGINFMVTILKMRTKGMTLMRMPMFTWTTLITMVIIVFAFPVLTVALALLSFDRLFGAHFFTLEAGGMPMLWANLFWIWGHPEVYIVILPAFGIFSEIISSFARKQLFGYKAMVGSIIAISVLSFLVWTHHFFTMGNSASVNSFFSITTMAISIPTGVKIFNWLFTMYKGRISFTTPMLWALAFIPNFVIGGVTGVMLAMAAADYQYHNTYFLVSHFHYVLIAGTVFACFAGFIFWYPKMFGHKLNERIGKWFFWIFMIGFNICFFPQYFLGLQGMPRRIYTYGPNDGWTTLNFISTVGAFMMGVGFLILCYNIYYSFRYSTREISGDSWGV-GRTLDWATSSAIPPHYNFAVLPEVKSQDAFLHMKEEKTELYPESKFKKIHMPSNSGRPFFMSVAFGLAGFGLVFEWYWMGVVGLIGVLLCMVLRSFEYDNGYYISVDEIKETERKISE 3HB3 Chain:A ((20-545)) --------------------------------------------TRWFMSTNHKDIGILYLFTAGIVGLISVCFTVYMRMELQHPGVQYMCLEGARLIADASAECTPNGHLWNVMITYHGVLMMFFVVIPALFGGFGNYFMPLHIGAPDMAFPRLNNLSYWMYVCGVALGVASLLAPGGNDQMGSGVGWVLYPPLSTTEA--GYSMDLAIFAVHVSGASSILGAINIITTFLNMRAPGMTLFKVPLFAWSVFITAWLILLSLPVLAGAITMLLMDRNFGTQFFDPAGGGDPVLYQHILWFFGHPEVYIIILPGFGIISHVISTFAKKPIFGYLPMVLAMAAIGILGFVVWAHHMYTAGMSLTQQAYFMLATMTIAVPTGIKVFSWIATMWGGSIEFKTPMLWAFGFLFLFTVGGVTGVVLSQAPLDRVYHDTYYVVAHFHYVMSLGAVFGIFAGVYYWIGKMSGRQYPEWAGQLHFWMMFIGSNLIFFPQHFLGRQGMPRRYIDY-PVE-FAYWNNISSIGAYISFASFLFFIGIVFYTLFAGKRVNVPNYWNEHADTLEWTLPSP-PPEHTFET--------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3HB3.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 : 2737 -365464 -133.53 -728.02 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -133.53 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.346

(partial model without unconserved sides chains): PDB file : Tito_3HB3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3HB3-query.scw PDB file : Tito_Scwrl_3HB3.pdb: