Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MASNAAANGSFGSSANAVQLVSTQRGRKVYCVRGQSFDIDDNYTVTSVIGHGAYGVVCAALDDRTFQEVAIKRVSRVFEDLIDGRRIWREILLLRILKECGCRNVLRLIRVLPPRDPIMEFRDLYLVTDLYDIDLFSIIRQNKCESIDLLRRISVRVLRCLADMHSMGIVHRDIKPSNILLRDEKNAEEAIVCDFGLARAGLHRLSE-PLDLTDYVVTRWYRPPELLLM-CPYSYPIDIWAVGCVMAEYAMQRPLFAGRDYIHQLQFVLSSIPITGVDFIERSSSSSGLANMNEIAKKYKGTRPLPQLLSKLPKDGLELVTEMLAFEPNKRITAQEALKHPFFSSVGGPDCKSYPAPPELDLGFDMHAEVSECQLRRAIWDELQYYRK 5BYZ Chain:A ((3-343)) -------------------------------------DVGDEYEIIETIGNGAYGVVSSARRRLTGQQVAIKKIPNAFDVVTNAKRTLRELKIL---KHFKHDNIIAIKDILRPTVPYGEFKSVYVVLDLMESDLHQIIHSSQPLTLEHVRYFLYQLLRGLKYMHSAQVIHRDLKPSNLLVNENCE---LKIGDFGMARGLCTSPAEHQYFMTEYVATRWYRAPELMLSLHEYTQAIDLWSVGCIFGEMLARRQLFPGKNYVHQLQLIMMVLGTPSPAVIQAVGAERVRAYIQSLPPR--QPVPWETVYPGADRQALSLLGRMLRFEPSARISAAAALRHPFLAKYHDPDDEPDCAPP-FDFAFDRE-ALTRERIKEAIVAEIEDFHA

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 : 1650 -101646 -61.60 -299.84 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : -61.60 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.526

(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: