Complexes [Theoretical pKd] | File | Volume (A3) (FPocket) | Hydrophobicity Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C1_S1 |
Complex: EDO_C_26(3RIH) / Model_89(3RIH/C) = [3.6]
| Download | 343.00 | 27.83 | MHATSSDDFSLSSRVALVTGAGRGIGRGIALALARAGADVAVADLDPQVAEETAAAIRSLGRRSLALGVDVSDGDSVRAMVERVATEFGRLDVAVNNAGVISIRKVAELSLADWDRVMNVNARGVFLCCQAELPLMQAQRWGRIVNLSSIAGKVGLPDLAHYCASKFAVIGFSNALAKEVARDGVTVNALCPGIVGTGMWRGEDGLSGRWRQAGESEAQSWERHQASLLPQGEAQTVEDMGQLVVYLACAPHVTGQAIAVDGGFSL |
Complex: NAD_A_3(3WYE) / Model_14(3WYE/A) = [7.0]
| Download | 1045.46 | 24.77 | MHATSSDDFSLSSRVALVTGAGRGIGRGIALALARAGADVAVADLDPQVAEETAAAIRSLGRRSLALGVDVSDGDSVRAMVERVATEFGRLDVAVNNAGVISIRKVAELSLADWDRVMNVNARGVFLCCQAELPLMQAQRWGRIVNLSSIAGKVGLPDLAHYCASKFAVIGFSNALAKEVARDGVTVNALCPGIVGTGMWRGEDGLSGRWRQAGESEAQSWERHQASLLPQGEAQTVEDMGQLVVYLACAPHVTGQAIAVDGGFSL |
Complex: NAD_B_4(3WYE) / Model_44(3WYE/B) = [7.6]
| Download | 1233.31 | 23.43 | MHATSSDDFSLSSRVALVTGAGRGIGRGIALALARAGADVAVADLDPQVAEETAAAIRSLGRRSLALGVDVSDGDSVRAMVERVATEFGRLDVAVNNAGVISIRKVAELSLADWDRVMNVNARGVFLCCQAELPLMQAQRWGRIVNLSSIAGKVGLPDLAHYCASKFAVIGFSNALAKEVARDGVTVNALCPGIVGTGMWRGEDGLSGRWRQAGESEAQSWERHQASLLPQGEAQTVEDMGQLVVYLACAPHVTGQAIAVDGGFSL |
Complex: NAI_C_8(4NBU) / Model_46(4NBU/C) = [7.7]
| Download | 1164.18 | 27.97 | MHATSSDDFSLSSRVALVTGAGRGIGRGIALALARAGADVAVADLDPQVAEETAAAIRSLGRRSLALGVDVSDGDSVRAMVERVATEFGRLDVAVNNAGVISIRKVAELSLADWDRVMNVNARGVFLCCQAELPLMQAQRWGRIVNLSSIAGKVGLPDLAHYCASKFAVIGFSNALAKEVARDGVTVNALCPGIVGTGMWRGEDGLSGRWRQAGESEAQSWERHQASLLPQGEAQTVEDMGQLVVYLACAPHVTGQAIAVDGGFSL |
Complex: NAI_D_9(4NBU) / Model_45(4NBU/D) = [8.0]
| Download | 1186.50 | 26.00 | MHATSSDDFSLSSRVALVTGAGRGIGRGIALALARAGADVAVADLDPQVAEETAAAIRSLGRRSLALGVDVSDGDSVRAMVERVATEFGRLDVAVNNAGVISIRKVAELSLADWDRVMNVNARGVFLCCQAELPLMQAQRWGRIVNLSSIAGKVGLPDLAHYCASKFAVIGFSNALAKEVARDGVTVNALCPGIVGTGMWRGEDGLSGRWRQAGESEAQSWERHQASLLPQGEAQTVEDMGQLVVYLACAPHVTGQAIAVDGGFSL |
Consensus [pKd Mean = 6.78] | - | 994 (s=331) | 26 (s=1) | MHATSSDDFSLSSRVALVTGAGRGIGRGIALALARAGADVAVADLDPQVAEETAAAIRSLGRRSLALGVDVSDGDSVRAMVERVATEFGRLDVAVNNAGVISIRKVAELSLADWDRVMNVNARGVFLCCQAELPLMQAQRWGRIVNLSSIAGKVGLPDLAHYCASKFAVIGFSNALAKEVARDGVTVNALCPGIVGTGMWRGEDGLSGRWRQAGESEAQSWERHQASLLPQGEAQTVEDMGQLVVYLACAPHVTGQAIAVDGGFSL |