| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C3_S1 |
| Complex: ADP_B_5(3A1D) / Model_24(3A1D/B) = [5.7]
| Download | 1176.60 | 16.44 | MKESFYIEGMTCTACSSGIERSLGRKSFVKKIEVSLLNKSANIEFNENETNLDEIFKLIEKLGYSPKKTLAEEKKEFFSPNVKLALAVIFTLFVVYLSMGAMLSPSLLPESLLTINHHSNFLNACLQLIGALIVMHLGRDFYIQGFKALWHRQPNMSSLIAIGTSAALISSLWQLYLVYTNHYTDQWSYGHYYFESVCVILMFVMVGKRIENVSKDKALDAMQALMKNAPKTALKMHNNQQIEVLVDSIVVGDILKVLPGSAIAVDGEIIEGEGELDESMLSGEALPVYKKVGDKVFSGTLNSNTSFLMKATQDNKNSTLSQIIEMIHNAQSSKAEISRLADKVSSVFVPSVIAIAVLAFVVWLIIAPKPDFWWNFRTALEVFVSVLVISCPCALGLATPMSILVANQKASSLGLFFKDAKSLEKARLVNTIVFDKTGTLTNGKPVVKSIHSNIELLELLSLASSIEKSSEHVIAKGIVEYAKERNAPLKDISEVKVKTGFGISAKVDYQGAKEIIKVGNSEFFNPINTLEIKENGILVFVGRAINEKEDELLGAFVLEDLPKKGVKEHIAQIKNLGINTFLLSGDNRENVKKCALELGIDGYISNAKPQDKLNKIKELKEKGRIVMMVGDGLNDAPSLAMSDVAVVMAKGSDVSVQAADIVSFNNDIKSVYSAIKLSQATIKNIKENLFWAFCYNSVFIPLACGVLYKANIMLSPAIAGLAMSLSSVSVVLNSQRLRNFKIKDH |
| Complex: ATP_B_4(2YJ5) / Model_29(2YJ5/B) = [5.8]
| Download | 1179.10 | 8.68 | MKESFYIEGMTCTACSSGIERSLGRKSFVKKIEVSLLNKSANIEFNENETNLDEIFKLIEKLGYSPKKTLAEEKKEFFSPNVKLALAVIFTLFVVYLSMGAMLSPSLLPESLLTINHHSNFLNACLQLIGALIVMHLGRDFYIQGFKALWHRQPNMSSLIAIGTSAALISSLWQLYLVYTNHYTDQWSYGHYYFESVCVILMFVMVGKRIENVSKDKALDAMQALMKNAPKTALKMHNNQQIEVLVDSIVVGDILKVLPGSAIAVDGEIIEGEGELDESMLSGEALPVYKKVGDKVFSGTLNSNTSFLMKATQDNKNSTLSQIIEMIHNAQSSKAEISRLADKVSSVFVPSVIAIAVLAFVVWLIIAPKPDFWWNFRTALEVFVSVLVISCPCALGLATPMSILVANQKASSLGLFFKDAKSLEKARLVNTIVFDKTGTLTNGKPVVKSIHSNIELLELLSLASSIEKSSEHVIAKGIVEYAKERNAPLKDISEVKVKTGFGISAKVDYQGAKEIIKVGNSEFFNPINTLEIKENGILVFVGRAINEKEDELLGAFVLEDLPKKGVKEHIAQIKNLGINTFLLSGDNRENVKKCALELGIDGYISNAKPQDKLNKIKELKEKGRIVMMVGDGLNDAPSLAMSDVAVVMAKGSDVSVQAADIVSFNNDIKSVYSAIKLSQATIKNIKENLFWAFCYNSVFIPLACGVLYKANIMLSPAIAGLAMSLSSVSVVLNSQRLRNFKIKDH |
| Complex: ACP_A_3(3A1E) / Model_12(3A1E/A) = [6.2]
| Download | 1001.98 | 15.69 | MKESFYIEGMTCTACSSGIERSLGRKSFVKKIEVSLLNKSANIEFNENETNLDEIFKLIEKLGYSPKKTLAEEKKEFFSPNVKLALAVIFTLFVVYLSMGAMLSPSLLPESLLTINHHSNFLNACLQLIGALIVMHLGRDFYIQGFKALWHRQPNMSSLIAIGTSAALISSLWQLYLVYTNHYTDQWSYGHYYFESVCVILMFVMVGKRIENVSKDKALDAMQALMKNAPKTALKMHNNQQIEVLVDSIVVGDILKVLPGSAIAVDGEIIEGEGELDESMLSGEALPVYKKVGDKVFSGTLNSNTSFLMKATQDNKNSTLSQIIEMIHNAQSSKAEISRLADKVSSVFVPSVIAIAVLAFVVWLIIAPKPDFWWNFRTALEVFVSVLVISCPCALGLATPMSILVANQKASSLGLFFKDAKSLEKARLVNTIVFDKTGTLTNGKPVVKSIHSNIELLELLSLASSIEKSSEHVIAKGIVEYAKERNAPLKDISEVKVKTGFGISAKVDYQGAKEIIKVGNSEFFNPINTLEIKENGILVFVGRAINEKEDELLGAFVLEDLPKKGVKEHIAQIKNLGINTFLLSGDNRENVKKCALELGIDGYISNAKPQDKLNKIKELKEKGRIVMMVGDGLNDAPSLAMSDVAVVMAKGSDVSVQAADIVSFNNDIKSVYSAIKLSQATIKNIKENLFWAFCYNSVFIPLACGVLYKANIMLSPAIAGLAMSLSSVSVVLNSQRLRNFKIKDH |
| Complex: ACP_B_5(3A1E) / Model_26(3A1E/B) = [6.2]
| Download | 1227.37 | 16.08 | MKESFYIEGMTCTACSSGIERSLGRKSFVKKIEVSLLNKSANIEFNENETNLDEIFKLIEKLGYSPKKTLAEEKKEFFSPNVKLALAVIFTLFVVYLSMGAMLSPSLLPESLLTINHHSNFLNACLQLIGALIVMHLGRDFYIQGFKALWHRQPNMSSLIAIGTSAALISSLWQLYLVYTNHYTDQWSYGHYYFESVCVILMFVMVGKRIENVSKDKALDAMQALMKNAPKTALKMHNNQQIEVLVDSIVVGDILKVLPGSAIAVDGEIIEGEGELDESMLSGEALPVYKKVGDKVFSGTLNSNTSFLMKATQDNKNSTLSQIIEMIHNAQSSKAEISRLADKVSSVFVPSVIAIAVLAFVVWLIIAPKPDFWWNFRTALEVFVSVLVISCPCALGLATPMSILVANQKASSLGLFFKDAKSLEKARLVNTIVFDKTGTLTNGKPVVKSIHSNIELLELLSLASSIEKSSEHVIAKGIVEYAKERNAPLKDISEVKVKTGFGISAKVDYQGAKEIIKVGNSEFFNPINTLEIKENGILVFVGRAINEKEDELLGAFVLEDLPKKGVKEHIAQIKNLGINTFLLSGDNRENVKKCALELGIDGYISNAKPQDKLNKIKELKEKGRIVMMVGDGLNDAPSLAMSDVAVVMAKGSDVSVQAADIVSFNNDIKSVYSAIKLSQATIKNIKENLFWAFCYNSVFIPLACGVLYKANIMLSPAIAGLAMSLSSVSVVLNSQRLRNFKIKDH |
| Complex: ACP_A_3(3A1C) / Model_85(3A1C/A) = [6.6]
| Download | 1411.01 | 8.51 | MKESFYIEGMTCTACSSGIERSLGRKSFVKKIEVSLLNKSANIEFNENETNLDEIFKLIEKLGYSPKKTLAEEKKEFFSPNVKLALAVIFTLFVVYLSMGAMLSPSLLPESLLTINHHSNFLNACLQLIGALIVMHLGRDFYIQGFKALWHRQPNMSSLIAIGTSAALISSLWQLYLVYTNHYTDQWSYGHYYFESVCVILMFVMVGKRIENVSKDKALDAMQALMKNAPKTALKMHNNQQIEVLVDSIVVGDILKVLPGSAIAVDGEIIEGEGELDESMLSGEALPVYKKVGDKVFSGTLNSNTSFLMKATQDNKNSTLSQIIEMIHNAQSSKAEISRLADKVSSVFVPSVIAIAVLAFVVWLIIAPKPDFWWNFRTALEVFVSVLVISCPCALGLATPMSILVANQKASSLGLFFKDAKSLEKARLVNTIVFDKTGTLTNGKPVVKSIHSNIELLELLSLASSIEKSSEHVIAKGIVEYAKERNAPLKDISEVKVKTGFGISAKVDYQGAKEIIKVGNSEFFNPINTLEIKENGILVFVGRAINEKEDELLGAFVLEDLPKKGVKEHIAQIKNLGINTFLLSGDNRENVKKCALELGIDGYISNAKPQDKLNKIKELKEKGRIVMMVGDGLNDAPSLAMSDVAVVMAKGSDVSVQAADIVSFNNDIKSVYSAIKLSQATIKNIKENLFWAFCYNSVFIPLACGVLYKANIMLSPAIAGLAMSLSSVSVVLNSQRLRNFKIKDH |
Consensus
[pKd Mean = 6.10] | - | 1199
(s=130) | 13
(s=3) | MKESFYIEGMTCTACSSGIERSLGRKSFVKKIEVSLLNKSANIEFNENETNLDEIFKLIEKLGYSPKKTLAEEKKEFFSPNVKLALAVIFTLFVVYLSMGAMLSPSLLPESLLTINHHSNFLNACLQLIGALIVMHLGRDFYIQGFKALWHRQPNMSSLIAIGTSAALISSLWQLYLVYTNHYTDQWSYGHYYFESVCVILMFVMVGKRIENVSKDKALDAMQALMKNAPKTALKMHNNQQIEVLVDSIVVGDILKVLPGSAIAVDGEIIEGEGELDESMLSGEALPVYKKVGDKVFSGTLNSNTSFLMKATQDNKNSTLSQIIEMIHNAQSSKAEISRLADKVSSVFVPSVIAIAVLAFVVWLIIAPKPDFWWNFRTALEVFVSVLVISCPCALGLATPMSILVANQKASSLGLFFKDAKSLEKARLVNTIVFDKTGTLTNGKPVVKSIHSNIELLELLSLASSIEKSSEHVIAKGIVEYAKERNAPLKDISEVKVKTGFGISAKVDYQGAKEIIKVGNSEFFNPINTLEIKENGILVFVGRAINEKEDELLGAFVLEDLPKKGVKEHIAQIKNLGINTFLLSGDNRENVKKCALELGIDGYISNAKPQDKLNKIKELKEKGRIVMMVGDGLNDAPSLAMSDVAVVMAKGSDVSVQAADIVSFNNDIKSVYSAIKLSQATIKNIKENLFWAFCYNSVFIPLACGVLYKANIMLSPAIAGLAMSLSSVSVVLNSQRLRNFKIKDH |