| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C1_S1 |
| Complex: POP_A_9(2D62) / Model_12(2D62/A) = [3.1]
| Download | 551.03 | -7.85 | MKTVLELKNVTKNIRGRTIIDDLSFTIREGEVFGFLGPNGAGKTTTIRMMVGLMKLSKGDVLICGQSITKEYAKAIKHIGAIVENPELYKFLSGYKNLQQFARMVKGVTKEKIDEVVELVGLTDRIHDKVKTYSLGMRQRLGLAQCLLHDPKVLILDEPTNGLDPAGIREIRDHLKKLTRERGMAVIVSSHLLSEMELMCDRIAILQKGKLIDIQNVKDENIDENDTYFFQVEQPSEAATVLNQYDLLSKTNGVEIKLAKEEVPAVIELLVMQQIRIYEVKVITKSLEDRFLEMTGETKEEVQHA |
| Complex: ADP_A_3(4YER) / Model_2(4YER/A) = [5.0]
| Download | 1012.11 | -7.88 | MKTVLELKNVTKNIRGRTIIDDLSFTIREGEVFGFLGPNGAGKTTTIRMMVGLMKLSKGDVLICGQSITKEYAKAIKHIGAIVENPELYKFLSGYKNLQQFARMVKGVTKEKIDEVVELVGLTDRIHDKVKTYSLGMRQRLGLAQCLLHDPKVLILDEPTNGLDPAGIREIRDHLKKLTRERGMAVIVSSHLLSEMELMCDRIAILQKGKLIDIQNVKDENIDENDTYFFQVEQPSEAATVLNQYDLLSKTNGVEIKLAKEEVPAVIELLVMQQIRIYEVKVITKSLEDRFLEMTGETKEEVQHA |
| Complex: ADP_A_3(4YER) / Model_35(4YER/A) = [5.8]
| Download | 1604.44 | 22.68 | MKTVLELKNVTKNIRGRTIIDDLSFTIREGEVFGFLGPNGAGKTTTIRMMVGLMKLSKGDVLICGQSITKEYAKAIKHIGAIVENPELYKFLSGYKNLQQFARMVKGVTKEKIDEVVELVGLTDRIHDKVKTYSLGMRQRLGLAQCLLHDPKVLILDEPTNGLDPAGIREIRDHLKKLTRERGMAVIVSSHLLSEMELMCDRIAILQKGKLIDIQNVKDENIDENDTYFFQVEQPSEAATVLNQYDLLSKTNGVEIKLAKEEVPAVIELLVMQQIRIYEVKVITKSLEDRFLEMTGETKEEVQHA |
| Complex: ADP_A_3(4P32) / Model_5(4P32/A) = [5.9]
| Download | 935.51 | -9.19 | MKTVLELKNVTKNIRGRTIIDDLSFTIREGEVFGFLGPNGAGKTTTIRMMVGLMKLSKGDVLICGQSITKEYAKAIKHIGAIVENPELYKFLSGYKNLQQFARMVKGVTKEKIDEVVELVGLTDRIHDKVKTYSLGMRQRLGLAQCLLHDPKVLILDEPTNGLDPAGIREIRDHLKKLTRERGMAVIVSSHLLSEMELMCDRIAILQKGKLIDIQNVKDENIDENDTYFFQVEQPSEAATVLNQYDLLSKTNGVEIKLAKEEVPAVIELLVMQQIRIYEVKVITKSLEDRFLEMTGETKEEVQHA |
| Complex: ADP_A_3(4P31) / Model_10(4P31/A) = [6.2]
| Download | 1014.93 | -16.27 | MKTVLELKNVTKNIRGRTIIDDLSFTIREGEVFGFLGPNGAGKTTTIRMMVGLMKLSKGDVLICGQSITKEYAKAIKHIGAIVENPELYKFLSGYKNLQQFARMVKGVTKEKIDEVVELVGLTDRIHDKVKTYSLGMRQRLGLAQCLLHDPKVLILDEPTNGLDPAGIREIRDHLKKLTRERGMAVIVSSHLLSEMELMCDRIAILQKGKLIDIQNVKDENIDENDTYFFQVEQPSEAATVLNQYDLLSKTNGVEIKLAKEEVPAVIELLVMQQIRIYEVKVITKSLEDRFLEMTGETKEEVQHA |
Consensus
[pKd Mean = 5.20] | - | 1023
(s=337) | -3
(s=13) | MKTVLELKNVTKNIRGRTIIDDLSFTIREGEVFGFLGPNGAGKTTTIRMMVGLMKLSKGDVLICGQSITKEYAKAIKHIGAIVENPELYKFLSGYKNLQQFARMVKGVTKEKIDEVVELVGLTDRIHDKVKTYSLGMRQRLGLAQCLLHDPKVLILDEPTNGLDPAGIREIRDHLKKLTRERGMAVIVSSHLLSEMELMCDRIAILQKGKLIDIQNVKDENIDENDTYFFQVEQPSEAATVLNQYDLLSKTNGVEIKLAKEEVPAVIELLVMQQIRIYEVKVITKSLEDRFLEMTGETKEEVQHA |