| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C1_S1 |
| Complex: MPD_A_7(4MB3) / Model_6(4MB3/A) = [3.1]
| Download | 533.54 | 29.71 | MIRIDFSQLHQAREDAAAAMPSIAGKKILMGFWHNWPAGAADGYQQGSFANIALEDVPSEYNVVAVAFMKGRGIPTFQPYNLSDAEFRRQVGVLNAQGRAVLISLGGADAHIELHAGQEQALAAEIVRLVETYGFDGLDIDLEQSAIDLADNQRVLPAALKLVREHYAGQGKHFIVSMAPEFPYLHKNGKYVPYLQALEGVYDFIAPQYYNQGGDGLWVQEANGGKGAWIAQNNDAMKEDFLYYLTESLATGSRDFVRIPAQRLAIGLPSNVDAAATGYVIDPAAVSNAFRRLEAAGHAIKGLMTWSVNWDDGLNKRGERYNWEFRKRYASLIHDGEGGDQRPAAPQGLRLLERGETSLVLAWNASSGQRPIDYYSLYRDGAMVGQSAALGSTDSGLTADTRYSYFVTATDTQGNQSLPSEGLEVSTSGGAVDPQFPQWRENQAYRVDDGVTYEGLRYLCLQAHTSNSGWTPPVAFTLWRPLR |
| Complex: EDO_A_12(3IAN) / Model_2(3IAN/A) = [3.3]
| Download | 331.63 | 34.25 | MIRIDFSQLHQAREDAAAAMPSIAGKKILMGFWHNWPAGAADGYQQGSFANIALEDVPSEYNVVAVAFMKGRGIPTFQPYNLSDAEFRRQVGVLNAQGRAVLISLGGADAHIELHAGQEQALAAEIVRLVETYGFDGLDIDLEQSAIDLADNQRVLPAALKLVREHYAGQGKHFIVSMAPEFPYLHKNGKYVPYLQALEGVYDFIAPQYYNQGGDGLWVQEANGGKGAWIAQNNDAMKEDFLYYLTESLATGSRDFVRIPAQRLAIGLPSNVDAAATGYVIDPAAVSNAFRRLEAAGHAIKGLMTWSVNWDDGLNKRGERYNWEFRKRYASLIHDGEGGDQRPAAPQGLRLLERGETSLVLAWNASSGQRPIDYYSLYRDGAMVGQSAALGSTDSGLTADTRYSYFVTATDTQGNQSLPSEGLEVSTSGGAVDPQFPQWRENQAYRVDDGVTYEGLRYLCLQAHTSNSGWTPPVAFTLWRPLR |
| Complex: ACY_A_6(3N12) / Model_11(3N12/A) = [3.3]
| Download | 327.51 | 26.54 | MIRIDFSQLHQAREDAAAAMPSIAGKKILMGFWHNWPAGAADGYQQGSFANIALEDVPSEYNVVAVAFMKGRGIPTFQPYNLSDAEFRRQVGVLNAQGRAVLISLGGADAHIELHAGQEQALAAEIVRLVETYGFDGLDIDLEQSAIDLADNQRVLPAALKLVREHYAGQGKHFIVSMAPEFPYLHKNGKYVPYLQALEGVYDFIAPQYYNQGGDGLWVQEANGGKGAWIAQNNDAMKEDFLYYLTESLATGSRDFVRIPAQRLAIGLPSNVDAAATGYVIDPAAVSNAFRRLEAAGHAIKGLMTWSVNWDDGLNKRGERYNWEFRKRYASLIHDGEGGDQRPAAPQGLRLLERGETSLVLAWNASSGQRPIDYYSLYRDGAMVGQSAALGSTDSGLTADTRYSYFVTATDTQGNQSLPSEGLEVSTSGGAVDPQFPQWRENQAYRVDDGVTYEGLRYLCLQAHTSNSGWTPPVAFTLWRPLR |
| Complex: ACY_A_6(3N12) / Model_53(3N12/A) = [3.3]
| Download | 329.06 | 26.54 | MIRIDFSQLHQAREDAAAAMPSIAGKKILMGFWHNWPAGAADGYQQGSFANIALEDVPSEYNVVAVAFMKGRGIPTFQPYNLSDAEFRRQVGVLNAQGRAVLISLGGADAHIELHAGQEQALAAEIVRLVETYGFDGLDIDLEQSAIDLADNQRVLPAALKLVREHYAGQGKHFIVSMAPEFPYLHKNGKYVPYLQALEGVYDFIAPQYYNQGGDGLWVQEANGGKGAWIAQNNDAMKEDFLYYLTESLATGSRDFVRIPAQRLAIGLPSNVDAAATGYVIDPAAVSNAFRRLEAAGHAIKGLMTWSVNWDDGLNKRGERYNWEFRKRYASLIHDGEGGDQRPAAPQGLRLLERGETSLVLAWNASSGQRPIDYYSLYRDGAMVGQSAALGSTDSGLTADTRYSYFVTATDTQGNQSLPSEGLEVSTSGGAVDPQFPQWRENQAYRVDDGVTYEGLRYLCLQAHTSNSGWTPPVAFTLWRPLR |
| Complex: EDO_A_4(3IAN) / Model_52(3IAN/A) = [3.4]
| Download | 334.82 | 27.57 | MIRIDFSQLHQAREDAAAAMPSIAGKKILMGFWHNWPAGAADGYQQGSFANIALEDVPSEYNVVAVAFMKGRGIPTFQPYNLSDAEFRRQVGVLNAQGRAVLISLGGADAHIELHAGQEQALAAEIVRLVETYGFDGLDIDLEQSAIDLADNQRVLPAALKLVREHYAGQGKHFIVSMAPEFPYLHKNGKYVPYLQALEGVYDFIAPQYYNQGGDGLWVQEANGGKGAWIAQNNDAMKEDFLYYLTESLATGSRDFVRIPAQRLAIGLPSNVDAAATGYVIDPAAVSNAFRRLEAAGHAIKGLMTWSVNWDDGLNKRGERYNWEFRKRYASLIHDGEGGDQRPAAPQGLRLLERGETSLVLAWNASSGQRPIDYYSLYRDGAMVGQSAALGSTDSGLTADTRYSYFVTATDTQGNQSLPSEGLEVSTSGGAVDPQFPQWRENQAYRVDDGVTYEGLRYLCLQAHTSNSGWTPPVAFTLWRPLR |
Consensus
[pKd Mean = 3.28] | - | 371
(s=81) | 28
(s=3) | MIRIDFSQLHQAREDAAAAMPSIAGKKILMGFWHNWPAGAADGYQQGSFANIALEDVPSEYNVVAVAFMKGRGIPTFQPYNLSDAEFRRQVGVLNAQGRAVLISLGGADAHIELHAGQEQALAAEIVRLVETYGFDGLDIDLEQSAIDLADNQRVLPAALKLVREHYAGQGKHFIVSMAPEFPYLHKNGKYVPYLQALEGVYDFIAPQYYNQGGDGLWVQEANGGKGAWIAQNNDAMKEDFLYYLTESLATGSRDFVRIPAQRLAIGLPSNVDAAATGYVIDPAAVSNAFRRLEAAGHAIKGLMTWSVNWDDGLNKRGERYNWEFRKRYASLIHDGEGGDQRPAAPQGLRLLERGETSLVLAWNASSGQRPIDYYSLYRDGAMVGQSAALGSTDSGLTADTRYSYFVTATDTQGNQSLPSEGLEVSTSGGAVDPQFPQWRENQAYRVDDGVTYEGLRYLCLQAHTSNSGWTPPVAFTLWRPLR |