| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C1_S1 |
| Complex: IPA_A_6(3TIF) / Model_51(3TIF/B) = [3.1]
| Download | 34.42 | 39.33 | MAETQGGDVLVSFRGVQKSYDGETLIVKDLNLDIRKGEFLTLLGPSGSGKTTSLMMLAGFETPTAGEILLAGRSINNVPPHKRDIGMVFQNYALFPHMTVAENLAFPLSVRGMSKTDVKERVKRALSMVQLDAFAGRYPAQLSGGQQQRVALARALVFEPQLVLMDEPLGALDKQLREHMQMEIKHLHQRLGVTVVYVTHDQGEALTMSDRVAVFHQGEIQQIEPPRNLYEQPRNTFVANFIGENNRLSGQLLSCDGERCVVGLPRGEKVEALAVNVGQPGEPVTLSIRPERVRLNGASESCVNRFSGRVAEFVYLGDHVRVRLEVCGRDDFFVKQPIAELDPTLSVGDVVPLGWQVEHVRALDPLPAA |
| Complex: ADP_A_5(2OLJ) / Model_81(2OLJ/A) = [4.7]
| Download | 963.58 | 16.62 | MAETQGGDVLVSFRGVQKSYDGETLIVKDLNLDIRKGEFLTLLGPSGSGKTTSLMMLAGFETPTAGEILLAGRSINNVPPHKRDIGMVFQNYALFPHMTVAENLAFPLSVRGMSKTDVKERVKRALSMVQLDAFAGRYPAQLSGGQQQRVALARALVFEPQLVLMDEPLGALDKQLREHMQMEIKHLHQRLGVTVVYVTHDQGEALTMSDRVAVFHQGEIQQIEPPRNLYEQPRNTFVANFIGENNRLSGQLLSCDGERCVVGLPRGEKVEALAVNVGQPGEPVTLSIRPERVRLNGASESCVNRFSGRVAEFVYLGDHVRVRLEVCGRDDFFVKQPIAELDPTLSVGDVVPLGWQVEHVRALDPLPAA |
| Complex: AGS_B_6(3C4J) / Model_68(3C4J/B) = [5.2]
| Download | 989.77 | 12.82 | MAETQGGDVLVSFRGVQKSYDGETLIVKDLNLDIRKGEFLTLLGPSGSGKTTSLMMLAGFETPTAGEILLAGRSINNVPPHKRDIGMVFQNYALFPHMTVAENLAFPLSVRGMSKTDVKERVKRALSMVQLDAFAGRYPAQLSGGQQQRVALARALVFEPQLVLMDEPLGALDKQLREHMQMEIKHLHQRLGVTVVYVTHDQGEALTMSDRVAVFHQGEIQQIEPPRNLYEQPRNTFVANFIGENNRLSGQLLSCDGERCVVGLPRGEKVEALAVNVGQPGEPVTLSIRPERVRLNGASESCVNRFSGRVAEFVYLGDHVRVRLEVCGRDDFFVKQPIAELDPTLSVGDVVPLGWQVEHVRALDPLPAA |
| Complex: AT4_C_7(2OLK) / Model_77(2OLK/C) = [5.2]
| Download | 1103.39 | 7.41 | MAETQGGDVLVSFRGVQKSYDGETLIVKDLNLDIRKGEFLTLLGPSGSGKTTSLMMLAGFETPTAGEILLAGRSINNVPPHKRDIGMVFQNYALFPHMTVAENLAFPLSVRGMSKTDVKERVKRALSMVQLDAFAGRYPAQLSGGQQQRVALARALVFEPQLVLMDEPLGALDKQLREHMQMEIKHLHQRLGVTVVYVTHDQGEALTMSDRVAVFHQGEIQQIEPPRNLYEQPRNTFVANFIGENNRLSGQLLSCDGERCVVGLPRGEKVEALAVNVGQPGEPVTLSIRPERVRLNGASESCVNRFSGRVAEFVYLGDHVRVRLEVCGRDDFFVKQPIAELDPTLSVGDVVPLGWQVEHVRALDPLPAA |
| Complex: ADP_A_5(2Q0H) / Model_71(2Q0H/A) = [5.3]
| Download | 1052.96 | 9.93 | MAETQGGDVLVSFRGVQKSYDGETLIVKDLNLDIRKGEFLTLLGPSGSGKTTSLMMLAGFETPTAGEILLAGRSINNVPPHKRDIGMVFQNYALFPHMTVAENLAFPLSVRGMSKTDVKERVKRALSMVQLDAFAGRYPAQLSGGQQQRVALARALVFEPQLVLMDEPLGALDKQLREHMQMEIKHLHQRLGVTVVYVTHDQGEALTMSDRVAVFHQGEIQQIEPPRNLYEQPRNTFVANFIGENNRLSGQLLSCDGERCVVGLPRGEKVEALAVNVGQPGEPVTLSIRPERVRLNGASESCVNRFSGRVAEFVYLGDHVRVRLEVCGRDDFFVKQPIAELDPTLSVGDVVPLGWQVEHVRALDPLPAA |
Consensus
[pKd Mean = 4.70] | - | 828
(s=400) | 17
(s=11) | MAETQGGDVLVSFRGVQKSYDGETLIVKDLNLDIRKGEFLTLLGPSGSGKTTSLMMLAGFETPTAGEILLAGRSINNVPPHKRDIGMVFQNYALFPHMTVAENLAFPLSVRGMSKTDVKERVKRALSMVQLDAFAGRYPAQLSGGQQQRVALARALVFEPQLVLMDEPLGALDKQLREHMQMEIKHLHQRLGVTVVYVTHDQGEALTMSDRVAVFHQGEIQQIEPPRNLYEQPRNTFVANFIGENNRLSGQLLSCDGERCVVGLPRGEKVEALAVNVGQPGEPVTLSIRPERVRLNGASESCVNRFSGRVAEFVYLGDHVRVRLEVCGRDDFFVKQPIAELDPTLSVGDVVPLGWQVEHVRALDPLPAA |