| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C1_S1 |
| Complex: ATP_D_11(2BEK) / Model_22(2BEK/C) = [3.3]
| Download | 1333.41 | 37.75 | MSAPWGPVAAGPSALVRSGQASTIEPFQREMTPPTPTPEAAHNPTMNVSRETSTEFDTPIGAAAERAMRVLHTTHEPLQRPGRRRVLTIANQKGGVGKTTTAVNIAAALAVQGLKTLVIDLDPQGNASTALGITDRQSGTPSSYEMLIGEVSLHTALRRSPHSERLFCIPATIDLAGAEIELVSMVARENRLRTALAALDNFDFDYVFVDCPPSLGLLTINALVAAPEVMIPIQCEYYALEGVSQLMRNIEMVKAHLNPQLEVTTVILTMYDGRTKLADQVADEVRQYFGSKVLRTVIPRSVKVSEAPGYSMTIIDYDPGSRGAMSYLDASRELAERDRPPSAKGRP |
| Complex: ADP_A_2(2BEJ) / Model_1(2BEJ/A) = [7.2]
| Download | 942.62 | 24.79 | MSAPWGPVAAGPSALVRSGQASTIEPFQREMTPPTPTPEAAHNPTMNVSRETSTEFDTPIGAAAERAMRVLHTTHEPLQRPGRRRVLTIANQKGGVGKTTTAVNIAAALAVQGLKTLVIDLDPQGNASTALGITDRQSGTPSSYEMLIGEVSLHTALRRSPHSERLFCIPATIDLAGAEIELVSMVARENRLRTALAALDNFDFDYVFVDCPPSLGLLTINALVAAPEVMIPIQCEYYALEGVSQLMRNIEMVKAHLNPQLEVTTVILTMYDGRTKLADQVADEVRQYFGSKVLRTVIPRSVKVSEAPGYSMTIIDYDPGSRGAMSYLDASRELAERDRPPSAKGRP |
| Complex: ATP_B_7(2BEK) / Model_23(2BEK/B) = [8.1]
| Download | 1154.59 | 28.87 | MSAPWGPVAAGPSALVRSGQASTIEPFQREMTPPTPTPEAAHNPTMNVSRETSTEFDTPIGAAAERAMRVLHTTHEPLQRPGRRRVLTIANQKGGVGKTTTAVNIAAALAVQGLKTLVIDLDPQGNASTALGITDRQSGTPSSYEMLIGEVSLHTALRRSPHSERLFCIPATIDLAGAEIELVSMVARENRLRTALAALDNFDFDYVFVDCPPSLGLLTINALVAAPEVMIPIQCEYYALEGVSQLMRNIEMVKAHLNPQLEVTTVILTMYDGRTKLADQVADEVRQYFGSKVLRTVIPRSVKVSEAPGYSMTIIDYDPGSRGAMSYLDASRELAERDRPPSAKGRP |
| Complex: ATP_A_5(2BEK) / Model_2(2BEK/A) = [8.2]
| Download | 1000.73 | 28.87 | MSAPWGPVAAGPSALVRSGQASTIEPFQREMTPPTPTPEAAHNPTMNVSRETSTEFDTPIGAAAERAMRVLHTTHEPLQRPGRRRVLTIANQKGGVGKTTTAVNIAAALAVQGLKTLVIDLDPQGNASTALGITDRQSGTPSSYEMLIGEVSLHTALRRSPHSERLFCIPATIDLAGAEIELVSMVARENRLRTALAALDNFDFDYVFVDCPPSLGLLTINALVAAPEVMIPIQCEYYALEGVSQLMRNIEMVKAHLNPQLEVTTVILTMYDGRTKLADQVADEVRQYFGSKVLRTVIPRSVKVSEAPGYSMTIIDYDPGSRGAMSYLDASRELAERDRPPSAKGRP |
| Complex: ATP_D_11(2BEK) / Model_21(2BEK/D) = [8.4]
| Download | 888.82 | 27.25 | MSAPWGPVAAGPSALVRSGQASTIEPFQREMTPPTPTPEAAHNPTMNVSRETSTEFDTPIGAAAERAMRVLHTTHEPLQRPGRRRVLTIANQKGGVGKTTTAVNIAAALAVQGLKTLVIDLDPQGNASTALGITDRQSGTPSSYEMLIGEVSLHTALRRSPHSERLFCIPATIDLAGAEIELVSMVARENRLRTALAALDNFDFDYVFVDCPPSLGLLTINALVAAPEVMIPIQCEYYALEGVSQLMRNIEMVKAHLNPQLEVTTVILTMYDGRTKLADQVADEVRQYFGSKVLRTVIPRSVKVSEAPGYSMTIIDYDPGSRGAMSYLDASRELAERDRPPSAKGRP |
Consensus
[pKd Mean = 7.04] | - | 1064
(s=161) | 29
(s=4) | MSAPWGPVAAGPSALVRSGQASTIEPFQREMTPPTPTPEAAHNPTMNVSRETSTEFDTPIGAAAERAMRVLHTTHEPLQRPGRRRVLTIANQKGGVGKTTTAVNIAAALAVQGLKTLVIDLDPQGNASTALGITDRQSGTPSSYEMLIGEVSLHTALRRSPHSERLFCIPATIDLAGAEIELVSMVARENRLRTALAALDNFDFDYVFVDCPPSLGLLTINALVAAPEVMIPIQCEYYALEGVSQLMRNIEMVKAHLNPQLEVTTVILTMYDGRTKLADQVADEVRQYFGSKVLRTVIPRSVKVSEAPGYSMTIIDYDPGSRGAMSYLDASRELAERDRPPSAKGRP |