| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C4_S1 |
| Complex: ADP_A_2(4JAU) / Model_8(4JAU/A) = [6.5]
| Download | 1063.26 | 21.82 | MKKLWLKIGLSFFILFFVVMVIVGIFSGELMKSTYLNMKENQLEDDAKILLQTTNMENLDLDKDAATIQKSLDPLGEDIDARITVIDSKGDVVADTKKDPEKLDNHMNRPEVTDILKKGESVGISIRESDSLGYSMLYVAVPVKHQSKTDGVLRISISLESVDAAVAKLWGNLALIFGIALVIIAAISVFIARKITRPVREIIEVSTDLANHKYDSRIHGKISGELQDLSISVNTLAESLETQMFEIKQNEQRLNAIVQNLVSGVMLINVDKQVIMTNRTMYQILGETEITGKPFYEVIKSFALSQLIEATFETKTIQQKEIILYFPREMILDASVSPILGENGEITGIILLLHDITQIRHLENVRSEFVTNVSHELKTPVTALKGFAETLLDGAMYDEMLLKKFLTIIKEESDRLHRLIMDILALSRIEQNPVPENVELVEVDEVIEQSARTIFEMATEKNIQVIIPEKTIPSVTIETDRDKLQQILINLLSNAINYTPVDGKVEVKLIEQEAEVIIEVTDNGIGIPAKDIDRVFERFYRVDKARSRHSGGTGLGLSIVKHLVENCGGRIEVESQEEVGSTFRVTLPKKA |
| Complex: ADP_A_7(3DGE) / Model_5(3DGE/A) = [6.7]
| Download | 763.39 | 19.03 | MKKLWLKIGLSFFILFFVVMVIVGIFSGELMKSTYLNMKENQLEDDAKILLQTTNMENLDLDKDAATIQKSLDPLGEDIDARITVIDSKGDVVADTKKDPEKLDNHMNRPEVTDILKKGESVGISIRESDSLGYSMLYVAVPVKHQSKTDGVLRISISLESVDAAVAKLWGNLALIFGIALVIIAAISVFIARKITRPVREIIEVSTDLANHKYDSRIHGKISGELQDLSISVNTLAESLETQMFEIKQNEQRLNAIVQNLVSGVMLINVDKQVIMTNRTMYQILGETEITGKPFYEVIKSFALSQLIEATFETKTIQQKEIILYFPREMILDASVSPILGENGEITGIILLLHDITQIRHLENVRSEFVTNVSHELKTPVTALKGFAETLLDGAMYDEMLLKKFLTIIKEESDRLHRLIMDILALSRIEQNPVPENVELVEVDEVIEQSARTIFEMATEKNIQVIIPEKTIPSVTIETDRDKLQQILINLLSNAINYTPVDGKVEVKLIEQEAEVIIEVTDNGIGIPAKDIDRVFERFYRVDKARSRHSGGTGLGLSIVKHLVENCGGRIEVESQEEVGSTFRVTLPKKA |
| Complex: ATP_A_3(4CB0) / Model_19(4CB0/A) = [7.1]
| Download | 1216.92 | 20.89 | MKKLWLKIGLSFFILFFVVMVIVGIFSGELMKSTYLNMKENQLEDDAKILLQTTNMENLDLDKDAATIQKSLDPLGEDIDARITVIDSKGDVVADTKKDPEKLDNHMNRPEVTDILKKGESVGISIRESDSLGYSMLYVAVPVKHQSKTDGVLRISISLESVDAAVAKLWGNLALIFGIALVIIAAISVFIARKITRPVREIIEVSTDLANHKYDSRIHGKISGELQDLSISVNTLAESLETQMFEIKQNEQRLNAIVQNLVSGVMLINVDKQVIMTNRTMYQILGETEITGKPFYEVIKSFALSQLIEATFETKTIQQKEIILYFPREMILDASVSPILGENGEITGIILLLHDITQIRHLENVRSEFVTNVSHELKTPVTALKGFAETLLDGAMYDEMLLKKFLTIIKEESDRLHRLIMDILALSRIEQNPVPENVELVEVDEVIEQSARTIFEMATEKNIQVIIPEKTIPSVTIETDRDKLQQILINLLSNAINYTPVDGKVEVKLIEQEAEVIIEVTDNGIGIPAKDIDRVFERFYRVDKARSRHSGGTGLGLSIVKHLVENCGGRIEVESQEEVGSTFRVTLPKKA |
| Complex: ADP_A_2(2C2A) / Model_4(2C2A/A) = [7.4]
| Download | 1086.09 | 23.74 | MKKLWLKIGLSFFILFFVVMVIVGIFSGELMKSTYLNMKENQLEDDAKILLQTTNMENLDLDKDAATIQKSLDPLGEDIDARITVIDSKGDVVADTKKDPEKLDNHMNRPEVTDILKKGESVGISIRESDSLGYSMLYVAVPVKHQSKTDGVLRISISLESVDAAVAKLWGNLALIFGIALVIIAAISVFIARKITRPVREIIEVSTDLANHKYDSRIHGKISGELQDLSISVNTLAESLETQMFEIKQNEQRLNAIVQNLVSGVMLINVDKQVIMTNRTMYQILGETEITGKPFYEVIKSFALSQLIEATFETKTIQQKEIILYFPREMILDASVSPILGENGEITGIILLLHDITQIRHLENVRSEFVTNVSHELKTPVTALKGFAETLLDGAMYDEMLLKKFLTIIKEESDRLHRLIMDILALSRIEQNPVPENVELVEVDEVIEQSARTIFEMATEKNIQVIIPEKTIPSVTIETDRDKLQQILINLLSNAINYTPVDGKVEVKLIEQEAEVIIEVTDNGIGIPAKDIDRVFERFYRVDKARSRHSGGTGLGLSIVKHLVENCGGRIEVESQEEVGSTFRVTLPKKA |
| Complex: ADP_B_13(4JAV) / Model_22(4JAV/B) = [7.4]
| Download | 762.47 | 22.47 | MKKLWLKIGLSFFILFFVVMVIVGIFSGELMKSTYLNMKENQLEDDAKILLQTTNMENLDLDKDAATIQKSLDPLGEDIDARITVIDSKGDVVADTKKDPEKLDNHMNRPEVTDILKKGESVGISIRESDSLGYSMLYVAVPVKHQSKTDGVLRISISLESVDAAVAKLWGNLALIFGIALVIIAAISVFIARKITRPVREIIEVSTDLANHKYDSRIHGKISGELQDLSISVNTLAESLETQMFEIKQNEQRLNAIVQNLVSGVMLINVDKQVIMTNRTMYQILGETEITGKPFYEVIKSFALSQLIEATFETKTIQQKEIILYFPREMILDASVSPILGENGEITGIILLLHDITQIRHLENVRSEFVTNVSHELKTPVTALKGFAETLLDGAMYDEMLLKKFLTIIKEESDRLHRLIMDILALSRIEQNPVPENVELVEVDEVIEQSARTIFEMATEKNIQVIIPEKTIPSVTIETDRDKLQQILINLLSNAINYTPVDGKVEVKLIEQEAEVIIEVTDNGIGIPAKDIDRVFERFYRVDKARSRHSGGTGLGLSIVKHLVENCGGRIEVESQEEVGSTFRVTLPKKA |
Consensus
[pKd Mean = 7.02] | - | 978
(s=183) | 21
(s=1) | MKKLWLKIGLSFFILFFVVMVIVGIFSGELMKSTYLNMKENQLEDDAKILLQTTNMENLDLDKDAATIQKSLDPLGEDIDARITVIDSKGDVVADTKKDPEKLDNHMNRPEVTDILKKGESVGISIRESDSLGYSMLYVAVPVKHQSKTDGVLRISISLESVDAAVAKLWGNLALIFGIALVIIAAISVFIARKITRPVREIIEVSTDLANHKYDSRIHGKISGELQDLSISVNTLAESLETQMFEIKQNEQRLNAIVQNLVSGVMLINVDKQVIMTNRTMYQILGETEITGKPFYEVIKSFALSQLIEATFETKTIQQKEIILYFPREMILDASVSPILGENGEITGIILLLHDITQIRHLENVRSEFVTNVSHELKTPVTALKGFAETLLDGAMYDEMLLKKFLTIIKEESDRLHRLIMDILALSRIEQNPVPENVELVEVDEVIEQSARTIFEMATEKNIQVIIPEKTIPSVTIETDRDKLQQILINLLSNAINYTPVDGKVEVKLIEQEAEVIIEVTDNGIGIPAKDIDRVFERFYRVDKARSRHSGGTGLGLSIVKHLVENCGGRIEVESQEEVGSTFRVTLPKKA |