| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C1_S1 |
| Complex: IPA_A_6(3TIF) / Model_21(3TIF/B) = [3.1]
| Download | 543.94 | 31.86 | MMKEAVTVSNVTKHFQRKTAVNNISFSIEKGEIAAILGPNGAGKTTVVSMILGLLKPSEGEIKLFNRVPDDQQVREKIGVMLQEVSVMPGLKVDEILELFRSYYPNPLSMKELVSLTALTKEDLKTRAEKLSGGQKRRLSFALALAGNPELLILDEPTVGMDTSSRHRFWQTIHGLSDQGKTIIFSTHYLQEADDAAQRILFFTEGQLVADGSPMQIRSRIQKQSVSFTLHSSESLERLSCHPEVERVIHEHERTIIQTSNTDKVLALIFQENIHARDIRIEQATLDEAFRQLADGNREAM |
| Complex: ACP_A_4(4AYX) / Model_45(4AYX/A) = [3.2]
| Download | 922.37 | 12.50 | MMKEAVTVSNVTKHFQRKTAVNNISFSIEKGEIAAILGPNGAGKTTVVSMILGLLKPSEGEIKLFNRVPDDQQVREKIGVMLQEVSVMPGLKVDEILELFRSYYPNPLSMKELVSLTALTKEDLKTRAEKLSGGQKRRLSFALALAGNPELLILDEPTVGMDTSSRHRFWQTIHGLSDQGKTIIFSTHYLQEADDAAQRILFFTEGQLVADGSPMQIRSRIQKQSVSFTLHSSESLERLSCHPEVERVIHEHERTIIQTSNTDKVLALIFQENIHARDIRIEQATLDEAFRQLADGNREAM |
| Complex: ANP_A_2(4AYW) / Model_44(4AYW/A) = [3.3]
| Download | 893.52 | 5.79 | MMKEAVTVSNVTKHFQRKTAVNNISFSIEKGEIAAILGPNGAGKTTVVSMILGLLKPSEGEIKLFNRVPDDQQVREKIGVMLQEVSVMPGLKVDEILELFRSYYPNPLSMKELVSLTALTKEDLKTRAEKLSGGQKRRLSFALALAGNPELLILDEPTVGMDTSSRHRFWQTIHGLSDQGKTIIFSTHYLQEADDAAQRILFFTEGQLVADGSPMQIRSRIQKQSVSFTLHSSESLERLSCHPEVERVIHEHERTIIQTSNTDKVLALIFQENIHARDIRIEQATLDEAFRQLADGNREAM |
| Complex: ACP_A_4(4AYT) / Model_46(4AYT/A) = [3.4]
| Download | 472.49 | 18.50 | MMKEAVTVSNVTKHFQRKTAVNNISFSIEKGEIAAILGPNGAGKTTVVSMILGLLKPSEGEIKLFNRVPDDQQVREKIGVMLQEVSVMPGLKVDEILELFRSYYPNPLSMKELVSLTALTKEDLKTRAEKLSGGQKRRLSFALALAGNPELLILDEPTVGMDTSSRHRFWQTIHGLSDQGKTIIFSTHYLQEADDAAQRILFFTEGQLVADGSPMQIRSRIQKQSVSFTLHSSESLERLSCHPEVERVIHEHERTIIQTSNTDKVLALIFQENIHARDIRIEQATLDEAFRQLADGNREAM |
| Complex: ATP_C_3(1VCI) / Model_19(1VCI/A) = [4.4]
| Download | 805.62 | 10.33 | MMKEAVTVSNVTKHFQRKTAVNNISFSIEKGEIAAILGPNGAGKTTVVSMILGLLKPSEGEIKLFNRVPDDQQVREKIGVMLQEVSVMPGLKVDEILELFRSYYPNPLSMKELVSLTALTKEDLKTRAEKLSGGQKRRLSFALALAGNPELLILDEPTVGMDTSSRHRFWQTIHGLSDQGKTIIFSTHYLQEADDAAQRILFFTEGQLVADGSPMQIRSRIQKQSVSFTLHSSESLERLSCHPEVERVIHEHERTIIQTSNTDKVLALIFQENIHARDIRIEQATLDEAFRQLADGNREAM |
Consensus
[pKd Mean = 3.48] | - | 727
(s=184) | 15
(s=9) | MMKEAVTVSNVTKHFQRKTAVNNISFSIEKGEIAAILGPNGAGKTTVVSMILGLLKPSEGEIKLFNRVPDDQQVREKIGVMLQEVSVMPGLKVDEILELFRSYYPNPLSMKELVSLTALTKEDLKTRAEKLSGGQKRRLSFALALAGNPELLILDEPTVGMDTSSRHRFWQTIHGLSDQGKTIIFSTHYLQEADDAAQRILFFTEGQLVADGSPMQIRSRIQKQSVSFTLHSSESLERLSCHPEVERVIHEHERTIIQTSNTDKVLALIFQENIHARDIRIEQATLDEAFRQLADGNREAM |