| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C4_S1 |
| Complex: ADP_A_8(1M74) / Model_5(1M74/A) = [5.3]
| Download | 978.72 | 8.28 | MAGLLKKIFESGKKDVKYLERKADEIIALADETAALSDDALREKTVEFKERVQKGETLDDLLVEAFAVAREGAKRALGLYPFKVQLMGGIVLHEGNIAEMKTGEGKTLTATLPVYLNALSGEGVHVVTVNEYLAHRDAEEMGVLYNFLGLSVGLNLNALSSTEKREAYACDITYSTNNELGFDYLRDNMVVYKEEMVQRPLAFAVIDEVDSILVDEARTPLIISGEAEKSTILYVRANTFVRTLTEEEDYTVDIKTKSVQLTEDGMTKGENYFDVENLFDLENTVILHHIAQALKANYTMSLDVDYVVQDDEVLIVDQFTGRIMKGRRFSEGLHQALEAKEGVTIQNESKTMATITFQNYFRMYKKLAGMTGTAKTEEEEFRDIYNMRVIEIPTNKVIIRDDRPDLIYTTIEAKFNAVVEDIAERHAKGQPVLVGTVAIETSELISSKLKRKGIKHDVLNAKQHEREADIIKHAGERGAVVIATNMAGRGTDIKLGEGTIEAGGLAVIGTERHESRRIDNQLRGRSGRQGDPGVTQFYLSMEDELMRRFGSDNMKSMMERFGMAEDAIQSKMVSRAVESAQRRVEGNNFDSRKQVLQYDDVLRQQREVIYKQRYEVINAENSLREIIEQMIQRTVNFIVSSNASSHEPEEAWNLQGIIDYVDANLLPEGTITLEDLQNRTSEDIQNLILDKIKAAYDEKETLLPPEEFNEFEKVVLLRVVDTKWVDHIDAMDHLRDGIHLRAYGQIDPLREYQSEGFEMFEAMVSSIDEDVARYIMKAEIRQNLEREQVAKGEAINPAEGKPEAKRQPIRKDQHIGRNDPCPCGSGKKYKNCHGKEA |
| Complex: ADP_A_3(1TF2) / Model_1(1TF2/A) = [5.4]
| Download | 1102.46 | 22.77 | MAGLLKKIFESGKKDVKYLERKADEIIALADETAALSDDALREKTVEFKERVQKGETLDDLLVEAFAVAREGAKRALGLYPFKVQLMGGIVLHEGNIAEMKTGEGKTLTATLPVYLNALSGEGVHVVTVNEYLAHRDAEEMGVLYNFLGLSVGLNLNALSSTEKREAYACDITYSTNNELGFDYLRDNMVVYKEEMVQRPLAFAVIDEVDSILVDEARTPLIISGEAEKSTILYVRANTFVRTLTEEEDYTVDIKTKSVQLTEDGMTKGENYFDVENLFDLENTVILHHIAQALKANYTMSLDVDYVVQDDEVLIVDQFTGRIMKGRRFSEGLHQALEAKEGVTIQNESKTMATITFQNYFRMYKKLAGMTGTAKTEEEEFRDIYNMRVIEIPTNKVIIRDDRPDLIYTTIEAKFNAVVEDIAERHAKGQPVLVGTVAIETSELISSKLKRKGIKHDVLNAKQHEREADIIKHAGERGAVVIATNMAGRGTDIKLGEGTIEAGGLAVIGTERHESRRIDNQLRGRSGRQGDPGVTQFYLSMEDELMRRFGSDNMKSMMERFGMAEDAIQSKMVSRAVESAQRRVEGNNFDSRKQVLQYDDVLRQQREVIYKQRYEVINAENSLREIIEQMIQRTVNFIVSSNASSHEPEEAWNLQGIIDYVDANLLPEGTITLEDLQNRTSEDIQNLILDKIKAAYDEKETLLPPEEFNEFEKVVLLRVVDTKWVDHIDAMDHLRDGIHLRAYGQIDPLREYQSEGFEMFEAMVSSIDEDVARYIMKAEIRQNLEREQVAKGEAINPAEGKPEAKRQPIRKDQHIGRNDPCPCGSGKKYKNCHGKEA |
| Complex: ADP_A_3(3JUX) / Model_19(3JUX/A) = [5.5]
| Download | 1329.07 | 15.96 | MAGLLKKIFESGKKDVKYLERKADEIIALADETAALSDDALREKTVEFKERVQKGETLDDLLVEAFAVAREGAKRALGLYPFKVQLMGGIVLHEGNIAEMKTGEGKTLTATLPVYLNALSGEGVHVVTVNEYLAHRDAEEMGVLYNFLGLSVGLNLNALSSTEKREAYACDITYSTNNELGFDYLRDNMVVYKEEMVQRPLAFAVIDEVDSILVDEARTPLIISGEAEKSTILYVRANTFVRTLTEEEDYTVDIKTKSVQLTEDGMTKGENYFDVENLFDLENTVILHHIAQALKANYTMSLDVDYVVQDDEVLIVDQFTGRIMKGRRFSEGLHQALEAKEGVTIQNESKTMATITFQNYFRMYKKLAGMTGTAKTEEEEFRDIYNMRVIEIPTNKVIIRDDRPDLIYTTIEAKFNAVVEDIAERHAKGQPVLVGTVAIETSELISSKLKRKGIKHDVLNAKQHEREADIIKHAGERGAVVIATNMAGRGTDIKLGEGTIEAGGLAVIGTERHESRRIDNQLRGRSGRQGDPGVTQFYLSMEDELMRRFGSDNMKSMMERFGMAEDAIQSKMVSRAVESAQRRVEGNNFDSRKQVLQYDDVLRQQREVIYKQRYEVINAENSLREIIEQMIQRTVNFIVSSNASSHEPEEAWNLQGIIDYVDANLLPEGTITLEDLQNRTSEDIQNLILDKIKAAYDEKETLLPPEEFNEFEKVVLLRVVDTKWVDHIDAMDHLRDGIHLRAYGQIDPLREYQSEGFEMFEAMVSSIDEDVARYIMKAEIRQNLEREQVAKGEAINPAEGKPEAKRQPIRKDQHIGRNDPCPCGSGKKYKNCHGKEA |
| Complex: ADP_A_2(4YS0) / Model_18(4YS0/A) = [6.3]
| Download | 1098.51 | 14.00 | MAGLLKKIFESGKKDVKYLERKADEIIALADETAALSDDALREKTVEFKERVQKGETLDDLLVEAFAVAREGAKRALGLYPFKVQLMGGIVLHEGNIAEMKTGEGKTLTATLPVYLNALSGEGVHVVTVNEYLAHRDAEEMGVLYNFLGLSVGLNLNALSSTEKREAYACDITYSTNNELGFDYLRDNMVVYKEEMVQRPLAFAVIDEVDSILVDEARTPLIISGEAEKSTILYVRANTFVRTLTEEEDYTVDIKTKSVQLTEDGMTKGENYFDVENLFDLENTVILHHIAQALKANYTMSLDVDYVVQDDEVLIVDQFTGRIMKGRRFSEGLHQALEAKEGVTIQNESKTMATITFQNYFRMYKKLAGMTGTAKTEEEEFRDIYNMRVIEIPTNKVIIRDDRPDLIYTTIEAKFNAVVEDIAERHAKGQPVLVGTVAIETSELISSKLKRKGIKHDVLNAKQHEREADIIKHAGERGAVVIATNMAGRGTDIKLGEGTIEAGGLAVIGTERHESRRIDNQLRGRSGRQGDPGVTQFYLSMEDELMRRFGSDNMKSMMERFGMAEDAIQSKMVSRAVESAQRRVEGNNFDSRKQVLQYDDVLRQQREVIYKQRYEVINAENSLREIIEQMIQRTVNFIVSSNASSHEPEEAWNLQGIIDYVDANLLPEGTITLEDLQNRTSEDIQNLILDKIKAAYDEKETLLPPEEFNEFEKVVLLRVVDTKWVDHIDAMDHLRDGIHLRAYGQIDPLREYQSEGFEMFEAMVSSIDEDVARYIMKAEIRQNLEREQVAKGEAINPAEGKPEAKRQPIRKDQHIGRNDPCPCGSGKKYKNCHGKEA |
Consensus
[pKd Mean = 5.62] | - | 1127
(s=126) | 15
(s=5) | MAGLLKKIFESGKKDVKYLERKADEIIALADETAALSDDALREKTVEFKERVQKGETLDDLLVEAFAVAREGAKRALGLYPFKVQLMGGIVLHEGNIAEMKTGEGKTLTATLPVYLNALSGEGVHVVTVNEYLAHRDAEEMGVLYNFLGLSVGLNLNALSSTEKREAYACDITYSTNNELGFDYLRDNMVVYKEEMVQRPLAFAVIDEVDSILVDEARTPLIISGEAEKSTILYVRANTFVRTLTEEEDYTVDIKTKSVQLTEDGMTKGENYFDVENLFDLENTVILHHIAQALKANYTMSLDVDYVVQDDEVLIVDQFTGRIMKGRRFSEGLHQALEAKEGVTIQNESKTMATITFQNYFRMYKKLAGMTGTAKTEEEEFRDIYNMRVIEIPTNKVIIRDDRPDLIYTTIEAKFNAVVEDIAERHAKGQPVLVGTVAIETSELISSKLKRKGIKHDVLNAKQHEREADIIKHAGERGAVVIATNMAGRGTDIKLGEGTIEAGGLAVIGTERHESRRIDNQLRGRSGRQGDPGVTQFYLSMEDELMRRFGSDNMKSMMERFGMAEDAIQSKMVSRAVESAQRRVEGNNFDSRKQVLQYDDVLRQQREVIYKQRYEVINAENSLREIIEQMIQRTVNFIVSSNASSHEPEEAWNLQGIIDYVDANLLPEGTITLEDLQNRTSEDIQNLILDKIKAAYDEKETLLPPEEFNEFEKVVLLRVVDTKWVDHIDAMDHLRDGIHLRAYGQIDPLREYQSEGFEMFEAMVSSIDEDVARYIMKAEIRQNLEREQVAKGEAINPAEGKPEAKRQPIRKDQHIGRNDPCPCGSGKKYKNCHGKEA |