| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C7_S1 |
| Complex: API_F_14(3TD4) / Model_51(3TD4/F) = [3.1]
| Download | 738.32 | 9.50 | MRKYIALPAVSLLALALAACSTPPNANLEQARSNFSALQSQPDATKVAALETKDAGDWLAKADKAYQDGEDQRDVDQLAYLTNQRIELAKQTIVLRNAEAQLQNASAQRAQARLDARTAQLDKLRSQLNAKQTSRGTMVTFGDVLFDLDKSDLKPGAMRNIQQLAEFLQQNPERQVIVEGYTDSTGSANYNQRLSERRADSVRMALLSRGISPERVATRGYGKEYPVASNGTSSGRAMNRRVEVTISNDAKPVAPRSSVSG |
| Complex: API_C_11(4G88) / Model_26(4G88/C) = [3.1]
| Download | 668.30 | 6.08 | MRKYIALPAVSLLALALAACSTPPNANLEQARSNFSALQSQPDATKVAALETKDAGDWLAKADKAYQDGEDQRDVDQLAYLTNQRIELAKQTIVLRNAEAQLQNASAQRAQARLDARTAQLDKLRSQLNAKQTSRGTMVTFGDVLFDLDKSDLKPGAMRNIQQLAEFLQQNPERQVIVEGYTDSTGSANYNQRLSERRADSVRMALLSRGISPERVATRGYGKEYPVASNGTSSGRAMNRRVEVTISNDAKPVAPRSSVSG |
| Complex: ALA_D_15(4G4Y) / Model_39(4G4Y/D) = [3.1]
| Download | 2625.21 | 19.91 | MRKYIALPAVSLLALALAACSTPPNANLEQARSNFSALQSQPDATKVAALETKDAGDWLAKADKAYQDGEDQRDVDQLAYLTNQRIELAKQTIVLRNAEAQLQNASAQRAQARLDARTAQLDKLRSQLNAKQTSRGTMVTFGDVLFDLDKSDLKPGAMRNIQQLAEFLQQNPERQVIVEGYTDSTGSANYNQRLSERRADSVRMALLSRGISPERVATRGYGKEYPVASNGTSSGRAMNRRVEVTISNDAKPVAPRSSVSG |
| Complex: ALA_H_23(4G4Y) / Model_35(4G4Y/H) = [3.1]
| Download | 2576.16 | 21.70 | MRKYIALPAVSLLALALAACSTPPNANLEQARSNFSALQSQPDATKVAALETKDAGDWLAKADKAYQDGEDQRDVDQLAYLTNQRIELAKQTIVLRNAEAQLQNASAQRAQARLDARTAQLDKLRSQLNAKQTSRGTMVTFGDVLFDLDKSDLKPGAMRNIQQLAEFLQQNPERQVIVEGYTDSTGSANYNQRLSERRADSVRMALLSRGISPERVATRGYGKEYPVASNGTSSGRAMNRRVEVTISNDAKPVAPRSSVSG |
| Complex: API_H_18(4G88) / Model_21(4G88/H) = [3.2]
| Download | 784.60 | 9.50 | MRKYIALPAVSLLALALAACSTPPNANLEQARSNFSALQSQPDATKVAALETKDAGDWLAKADKAYQDGEDQRDVDQLAYLTNQRIELAKQTIVLRNAEAQLQNASAQRAQARLDARTAQLDKLRSQLNAKQTSRGTMVTFGDVLFDLDKSDLKPGAMRNIQQLAEFLQQNPERQVIVEGYTDSTGSANYNQRLSERRADSVRMALLSRGISPERVATRGYGKEYPVASNGTSSGRAMNRRVEVTISNDAKPVAPRSSVSG |
Consensus
[pKd Mean = 3.12] | - | 1478
(s=917) | 13
(s=6) | MRKYIALPAVSLLALALAACSTPPNANLEQARSNFSALQSQPDATKVAALETKDAGDWLAKADKAYQDGEDQRDVDQLAYLTNQRIELAKQTIVLRNAEAQLQNASAQRAQARLDARTAQLDKLRSQLNAKQTSRGTMVTFGDVLFDLDKSDLKPGAMRNIQQLAEFLQQNPERQVIVEGYTDSTGSANYNQRLSERRADSVRMALLSRGISPERVATRGYGKEYPVASNGTSSGRAMNRRVEVTISNDAKPVAPRSSVSG |