| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C1_S1 |
| Complex: DAU_D_4(1KEU) / Model_23(1KEU/B) = [6.2]
| Download | 951.34 | 14.94 | MAKSYLITGGAGFIGLTFTKLMLRETDARITVLDKLTYASHPEEMEKLKQNSRFRFVKGDISVQEDIDRAFDETYDGVIHFAAESHVDRSISQAEPFITTNVMGTYRLAEAVLKGKAKKLIHISTDEVYGDLKADDPAFTETTPLSPNNPYSASKASSDLLVLSYVKTHKLPAIITRCSNNYGPYQHSEKMIPTIIRHAKQGLPVPLYGDGLQIRDWLFAEDHCRAIKLILEKGTDGEVYNIGGGNERTNKELASVILKHLGCEELFAHVEDRKGHDRRYAINASKLKNELGWRQEVTFEEGIARTIQWYTDNDR |
| Complex: NAD_A_3(1R66) / Model_7(1R66/A) = [8.7]
| Download | 1134.16 | 3.66 | MAKSYLITGGAGFIGLTFTKLMLRETDARITVLDKLTYASHPEEMEKLKQNSRFRFVKGDISVQEDIDRAFDETYDGVIHFAAESHVDRSISQAEPFITTNVMGTYRLAEAVLKGKAKKLIHISTDEVYGDLKADDPAFTETTPLSPNNPYSASKASSDLLVLSYVKTHKLPAIITRCSNNYGPYQHSEKMIPTIIRHAKQGLPVPLYGDGLQIRDWLFAEDHCRAIKLILEKGTDGEVYNIGGGNERTNKELASVILKHLGCEELFAHVEDRKGHDRRYAINASKLKNELGWRQEVTFEEGIARTIQWYTDNDR |
| Complex: DAU_C_3(1KEU) / Model_4(1KEU/A) = [8.8]
| Download | 1045.14 | 14.94 | MAKSYLITGGAGFIGLTFTKLMLRETDARITVLDKLTYASHPEEMEKLKQNSRFRFVKGDISVQEDIDRAFDETYDGVIHFAAESHVDRSISQAEPFITTNVMGTYRLAEAVLKGKAKKLIHISTDEVYGDLKADDPAFTETTPLSPNNPYSASKASSDLLVLSYVKTHKLPAIITRCSNNYGPYQHSEKMIPTIIRHAKQGLPVPLYGDGLQIRDWLFAEDHCRAIKLILEKGTDGEVYNIGGGNERTNKELASVILKHLGCEELFAHVEDRKGHDRRYAINASKLKNELGWRQEVTFEEGIARTIQWYTDNDR |
| Complex: NAD_A_2(1R6D) / Model_54(1R6D/A) = [9.1]
| Download | 1103.19 | 4.47 | MAKSYLITGGAGFIGLTFTKLMLRETDARITVLDKLTYASHPEEMEKLKQNSRFRFVKGDISVQEDIDRAFDETYDGVIHFAAESHVDRSISQAEPFITTNVMGTYRLAEAVLKGKAKKLIHISTDEVYGDLKADDPAFTETTPLSPNNPYSASKASSDLLVLSYVKTHKLPAIITRCSNNYGPYQHSEKMIPTIIRHAKQGLPVPLYGDGLQIRDWLFAEDHCRAIKLILEKGTDGEVYNIGGGNERTNKELASVILKHLGCEELFAHVEDRKGHDRRYAINASKLKNELGWRQEVTFEEGIARTIQWYTDNDR |
| Complex: NAD_A_2(1R6D) / Model_8(1R6D/A) = [9.1]
| Download | 1014.95 | 4.47 | MAKSYLITGGAGFIGLTFTKLMLRETDARITVLDKLTYASHPEEMEKLKQNSRFRFVKGDISVQEDIDRAFDETYDGVIHFAAESHVDRSISQAEPFITTNVMGTYRLAEAVLKGKAKKLIHISTDEVYGDLKADDPAFTETTPLSPNNPYSASKASSDLLVLSYVKTHKLPAIITRCSNNYGPYQHSEKMIPTIIRHAKQGLPVPLYGDGLQIRDWLFAEDHCRAIKLILEKGTDGEVYNIGGGNERTNKELASVILKHLGCEELFAHVEDRKGHDRRYAINASKLKNELGWRQEVTFEEGIARTIQWYTDNDR |
Consensus
[pKd Mean = 8.38] | - | 1049
(s=64) | 8
(s=5) | MAKSYLITGGAGFIGLTFTKLMLRETDARITVLDKLTYASHPEEMEKLKQNSRFRFVKGDISVQEDIDRAFDETYDGVIHFAAESHVDRSISQAEPFITTNVMGTYRLAEAVLKGKAKKLIHISTDEVYGDLKADDPAFTETTPLSPNNPYSASKASSDLLVLSYVKTHKLPAIITRCSNNYGPYQHSEKMIPTIIRHAKQGLPVPLYGDGLQIRDWLFAEDHCRAIKLILEKGTDGEVYNIGGGNERTNKELASVILKHLGCEELFAHVEDRKGHDRRYAINASKLKNELGWRQEVTFEEGIARTIQWYTDNDR |