Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSLNAADAADERSRKEMDRFQVERMAGQGTFGTVQLGKEKSTGMSVAIKKVIQDPR---FRNRELQIMQDLAVLHHPNIVQLQSYFYTLGERDRRDIYLNVVMEYVPDTLHRCCRNYYRRQVAPPPILIKVFLFQLIRSIGCLHLPSVNVCHRDIKPHNVLVNEADGTLKLCDFGSAKKLSPSEP-----NVAYICSRYYRAPELIFGNQHYTTSVDIWSVGCIFAEMMLGEPIFRGDNSAGQLHEIVRVLGCPSREVLRKLNPSHT-DV--DLYNSKGIPWSSVFCDHSLKDAKEAYDLLSALLQYLPEDRMKPYEALCHPYFDELHDSATKLPNNKDLPEDLFRFLPSEIEVMSEAQKAKLVRK 5BYZ Chain:A ((4-308)) ---------------VGDEYEIIETIGNGAYGVVSSARRRLTGQQVAIKKIPNAFDVVTNAKRTLRELKILKHFKHDNIIAIKDILRPTVPYG-EFKSVYVVLDLMESDLHQIIHSS----QPLTLEHVRYFLYQLLRGLKYMHS--AQVIHRDLKPSNLLVNE-NCELKIGDFGMARGLCTSPAEHQYFMTEYVATRWYRAPELMLSLHEYTQAIDLWSVGCIFGEMLARRQLFPGKNYVHQLQLIMMVLGTPSPAVIQAVGAERVRAYIQSLPPRQPVPWETVY-P---GADRQALSLLGRMLRFEPSARISAAAALRHPFLAKYHDPDD----------------------------------

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 : 1369 -35560 -25.97 -120.95 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -25.97 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.490

(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: