Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGKQQPISQRKLLGVAGLGWLFDAMDVGILSFIIAALHVEWNLSPEEMKWIGSVNSIGMAAGAFLFGLLADRIGRKKVFIITLLCFSIGSGISAFV---TSLSAFLILRFVIGMGLGGELPVASTLVSEAVVPEKRGRVIVLLESFWAVGWLAAALIS--YFVIPSFGWQAALLLTALTAFYALYLRTSLPDSPKYESLS---AK-KRS------M-----------W----ENVKSVWARQYIRP-TVMLSIVWFCVVFS-YYGMFLWLPSVMLLKGFSMIQSFEYVLLMTLAQLPGYFSAAWLIEKAGRKWILVVYLIGTAGSAYFFGT--A-D--S-L--SLLLTAGVLLSFFNL-GAWGVLYAYTPEQYPTAIRATGSGTTAAFGRIGGIFGPLLVGTLAARHISFSVIFSIFCIAILLAVACILIMGKETKQTELE 4YB9 Chain:D ((69-462)) ---------------------------------------------LLWSVTVSMFPFGGFLGSLMVGPLVNNLGRKGTLLFNNIFSIVPALLMGFSELAKSFEMIIVARVLVGICAGLSSNVVPMYLGELAPKNWRGALGVVPQLFITIGILVAQIFGLRSLLANEEGWPILLGLTGIPAVLQLLFLPFFPESPRYLLIQKKDEAAAKSALRRLAEIEEILEEDRAEKAVGFISVLKLFKMRSLRWQVISIIVLMAGQQLSGVNAIYYYADQIYLSAGVNEDDVQYVTAGTGAVNVLITVCAIFVVELMGRRFLLLLGFSVCFTACCVLTGALALQDVISWMPYVSIACVISYVIGHALGPSPIPALLVTEIFLQSSRPAAYMVAGTVHWLSNFTVGLVFPFIQVGL-GA-YSFVIFAVICLLTTVYIFLIIPE-------

General information: TITO was launched using: RESULT: Template: 4YB9.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1567 -272474 -173.88 -787.50 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain D : 0.69 3D Compatibility (PKB) : -173.88 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.238

(partial model without unconserved sides chains): PDB file : Tito_4YB9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YB9-query.scw PDB file : Tito_Scwrl_4YB9.pdb: