Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGTSGFSRLRSLTPTPYPGTQGSPYRRHRFVGVNLPGAPPPSIDFSSIQRTVKEVYEVHEKLSEGTYGEVFKGVDKRTGAAVALKRIKMLSTHQGFPQTSLREVIALRHIQNQRERLEERLRNDAHHRGAVAITDPLAEVSQLCDVLLY---DRQQRDIVLVFAYATASLAGLCRRQFAFTPSEMALLMKKLLIAVRKLHEMRIIHRDIKSDNVLVTSEGEVQLTDFGLCSIAAPGSSRSGTHVWRTPSVITLAYRPPEMLLGSTAYDEKVDVWSLGCLLAQMFLLEPPFYRHRAQAQQQQQRAPERSAATELEQLSRITEILGPLPPVSVYHPDSCQHMRVLEQLEVQGRLAEAGRAAQPANWGRLQTIFEPSFLYQQFHGFRGWFEAELGRSRHQPHRRPTQACMDVLCAALQLDPQQRPTAAELLRMPYFTTLDDAPLLGSYQRVLPVTPEREAEVRRGFMTKVQRCGDSHTQRRPHQ 5BYZ Chain:A ((4-311)) ---------------------------------------------------VGDEYEIIETIGNGAYGVVSSARRRLTGQQVAIKKIPNAFDVVTNAKRTLRELKILKHFK---------------HDN----------IIAIKDILRPTVPYGEFKSVYVVLDLMESDLHQIIHSSQPLTLEHVRYFLYQLLRGLKYMHSAQVIHRDLKPSNLLVNENCELKIGDFGMARGLCTSPAEH--QYFMTEYVATRWYRAPELMLSLHEYTQAIDLWSVGCIFGEMLARRQLFP-----------------GKNYVHQLQLIMMVLGTPS-PAVIQA--VGAERVR-AY-----------------IQSLPPR--------QP---VPWE--T-------VYPGADRQALSLLGRMLRFEPSARISAAAALRHPFLAKYHDPDDEPD-------------------------------------

General information: TITO was launched using: RESULT: Template: 5BYZ.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 : 1434 -81827 -57.06 -268.29 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -57.06 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.406

(partial model without unconserved sides chains): PDB file : Tito_5BYZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5BYZ-query.scw PDB file : Tito_Scwrl_5BYZ.pdb: