| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C1_S1 |
| Complex: ACP_A_4(3AR2) / Model_48(3AR2/A) = [3.2]
| Download | 1089.51 | 16.71 | MNGIPPLSSRDAHASPPQRVLERLHSSAAGLDADEAARRLAAHGYNRLPAPKRQGPLLRLLRQFHNVLLYMMLFASLVTALLGFWVDSAVILLAVVVNALIGFVQEGKAANALDAIRDMLSLHALVLRDGQRQALDAERLVPGDVVLLASGDRVPADLRLFETKNFHVDESALTGESVPVEKGCVAVAIDALLGDRRCMAYSGTLVTSGQARGVVVATAGDTELGRIGTLLREVRTLATPLLRQIASFSRWLALAILLLAGATFVLGTLWQGQPMVDMFMLVVALTASAIPEGLPAIMTVILALGVQRMARRNAIVSRLPAVETLGSVTVICSDKTGTLTRNEMTVQRIVTADQVIEVSGAGYAPLGGFSHNGEGLDPAGRDDLQEIGRAALLCNEARLHQEGEAWQLEGDPTEGALLSLGLKLGLDPQALAAERPRSDAIPFESEHRFMATLHHDHAGQAMVYLKGAPERILDMCEAERVGDSVRPLDPDYWRRLATDTAARGLRLLAIARRAMPAEQRTLDFADVEHGFTLLALVGIIDPPREEAVAAVAECQAAGIAVKMITGDHVDTARAIGAMLGIGIDRPALTGAEIELLDDQRLREVLPGVDVFARASPEHKLRLVQALQASGEVVAMTGDGVNDAPALKRADVGVAMGNKGTEAAKEAAEVVLADDNFATIANAVREGRAVYDNLKKFILFMLPTNGGEALIVIAAILFQLTLPMTPAQILWINMVTSSTLGLALAFDPAERGLMQRPPRPPAEPLLSLFFVWRVLLVSLLMMAGALGLFLWELEHGTGLESARTMAVNSVVVCEMFYLLNSRHIYDSVLSREGLFGNRQVLLAIAACVMLQLLYTYAPPLQALFGSVGLAPGEWARVLLAGLGLFCVAELEKWLCRRVRARQA |
| Complex: ADP_B_5(3A1D) / Model_78(3A1D/B) = [3.3]
| Download | 1019.93 | 7.44 | MNGIPPLSSRDAHASPPQRVLERLHSSAAGLDADEAARRLAAHGYNRLPAPKRQGPLLRLLRQFHNVLLYMMLFASLVTALLGFWVDSAVILLAVVVNALIGFVQEGKAANALDAIRDMLSLHALVLRDGQRQALDAERLVPGDVVLLASGDRVPADLRLFETKNFHVDESALTGESVPVEKGCVAVAIDALLGDRRCMAYSGTLVTSGQARGVVVATAGDTELGRIGTLLREVRTLATPLLRQIASFSRWLALAILLLAGATFVLGTLWQGQPMVDMFMLVVALTASAIPEGLPAIMTVILALGVQRMARRNAIVSRLPAVETLGSVTVICSDKTGTLTRNEMTVQRIVTADQVIEVSGAGYAPLGGFSHNGEGLDPAGRDDLQEIGRAALLCNEARLHQEGEAWQLEGDPTEGALLSLGLKLGLDPQALAAERPRSDAIPFESEHRFMATLHHDHAGQAMVYLKGAPERILDMCEAERVGDSVRPLDPDYWRRLATDTAARGLRLLAIARRAMPAEQRTLDFADVEHGFTLLALVGIIDPPREEAVAAVAECQAAGIAVKMITGDHVDTARAIGAMLGIGIDRPALTGAEIELLDDQRLREVLPGVDVFARASPEHKLRLVQALQASGEVVAMTGDGVNDAPALKRADVGVAMGNKGTEAAKEAAEVVLADDNFATIANAVREGRAVYDNLKKFILFMLPTNGGEALIVIAAILFQLTLPMTPAQILWINMVTSSTLGLALAFDPAERGLMQRPPRPPAEPLLSLFFVWRVLLVSLLMMAGALGLFLWELEHGTGLESARTMAVNSVVVCEMFYLLNSRHIYDSVLSREGLFGNRQVLLAIAACVMLQLLYTYAPPLQALFGSVGLAPGEWARVLLAGLGLFCVAELEKWLCRRVRARQA |
| Complex: ACP_A_3(3A1E) / Model_77(3A1E/A) = [3.5]
| Download | 979.28 | 9.00 | MNGIPPLSSRDAHASPPQRVLERLHSSAAGLDADEAARRLAAHGYNRLPAPKRQGPLLRLLRQFHNVLLYMMLFASLVTALLGFWVDSAVILLAVVVNALIGFVQEGKAANALDAIRDMLSLHALVLRDGQRQALDAERLVPGDVVLLASGDRVPADLRLFETKNFHVDESALTGESVPVEKGCVAVAIDALLGDRRCMAYSGTLVTSGQARGVVVATAGDTELGRIGTLLREVRTLATPLLRQIASFSRWLALAILLLAGATFVLGTLWQGQPMVDMFMLVVALTASAIPEGLPAIMTVILALGVQRMARRNAIVSRLPAVETLGSVTVICSDKTGTLTRNEMTVQRIVTADQVIEVSGAGYAPLGGFSHNGEGLDPAGRDDLQEIGRAALLCNEARLHQEGEAWQLEGDPTEGALLSLGLKLGLDPQALAAERPRSDAIPFESEHRFMATLHHDHAGQAMVYLKGAPERILDMCEAERVGDSVRPLDPDYWRRLATDTAARGLRLLAIARRAMPAEQRTLDFADVEHGFTLLALVGIIDPPREEAVAAVAECQAAGIAVKMITGDHVDTARAIGAMLGIGIDRPALTGAEIELLDDQRLREVLPGVDVFARASPEHKLRLVQALQASGEVVAMTGDGVNDAPALKRADVGVAMGNKGTEAAKEAAEVVLADDNFATIANAVREGRAVYDNLKKFILFMLPTNGGEALIVIAAILFQLTLPMTPAQILWINMVTSSTLGLALAFDPAERGLMQRPPRPPAEPLLSLFFVWRVLLVSLLMMAGALGLFLWELEHGTGLESARTMAVNSVVVCEMFYLLNSRHIYDSVLSREGLFGNRQVLLAIAACVMLQLLYTYAPPLQALFGSVGLAPGEWARVLLAGLGLFCVAELEKWLCRRVRARQA |
| Complex: ACP_A_3(2C8K) / Model_13(2C8K/A) = [3.7]
| Download | 1858.65 | 9.31 | MNGIPPLSSRDAHASPPQRVLERLHSSAAGLDADEAARRLAAHGYNRLPAPKRQGPLLRLLRQFHNVLLYMMLFASLVTALLGFWVDSAVILLAVVVNALIGFVQEGKAANALDAIRDMLSLHALVLRDGQRQALDAERLVPGDVVLLASGDRVPADLRLFETKNFHVDESALTGESVPVEKGCVAVAIDALLGDRRCMAYSGTLVTSGQARGVVVATAGDTELGRIGTLLREVRTLATPLLRQIASFSRWLALAILLLAGATFVLGTLWQGQPMVDMFMLVVALTASAIPEGLPAIMTVILALGVQRMARRNAIVSRLPAVETLGSVTVICSDKTGTLTRNEMTVQRIVTADQVIEVSGAGYAPLGGFSHNGEGLDPAGRDDLQEIGRAALLCNEARLHQEGEAWQLEGDPTEGALLSLGLKLGLDPQALAAERPRSDAIPFESEHRFMATLHHDHAGQAMVYLKGAPERILDMCEAERVGDSVRPLDPDYWRRLATDTAARGLRLLAIARRAMPAEQRTLDFADVEHGFTLLALVGIIDPPREEAVAAVAECQAAGIAVKMITGDHVDTARAIGAMLGIGIDRPALTGAEIELLDDQRLREVLPGVDVFARASPEHKLRLVQALQASGEVVAMTGDGVNDAPALKRADVGVAMGNKGTEAAKEAAEVVLADDNFATIANAVREGRAVYDNLKKFILFMLPTNGGEALIVIAAILFQLTLPMTPAQILWINMVTSSTLGLALAFDPAERGLMQRPPRPPAEPLLSLFFVWRVLLVSLLMMAGALGLFLWELEHGTGLESARTMAVNSVVVCEMFYLLNSRHIYDSVLSREGLFGNRQVLLAIAACVMLQLLYTYAPPLQALFGSVGLAPGEWARVLLAGLGLFCVAELEKWLCRRVRARQA |
| Complex: ACP_A_3(2BY4) / Model_11(2BY4/A) = [4.1]
| Download | 1867.80 | 4.03 | MNGIPPLSSRDAHASPPQRVLERLHSSAAGLDADEAARRLAAHGYNRLPAPKRQGPLLRLLRQFHNVLLYMMLFASLVTALLGFWVDSAVILLAVVVNALIGFVQEGKAANALDAIRDMLSLHALVLRDGQRQALDAERLVPGDVVLLASGDRVPADLRLFETKNFHVDESALTGESVPVEKGCVAVAIDALLGDRRCMAYSGTLVTSGQARGVVVATAGDTELGRIGTLLREVRTLATPLLRQIASFSRWLALAILLLAGATFVLGTLWQGQPMVDMFMLVVALTASAIPEGLPAIMTVILALGVQRMARRNAIVSRLPAVETLGSVTVICSDKTGTLTRNEMTVQRIVTADQVIEVSGAGYAPLGGFSHNGEGLDPAGRDDLQEIGRAALLCNEARLHQEGEAWQLEGDPTEGALLSLGLKLGLDPQALAAERPRSDAIPFESEHRFMATLHHDHAGQAMVYLKGAPERILDMCEAERVGDSVRPLDPDYWRRLATDTAARGLRLLAIARRAMPAEQRTLDFADVEHGFTLLALVGIIDPPREEAVAAVAECQAAGIAVKMITGDHVDTARAIGAMLGIGIDRPALTGAEIELLDDQRLREVLPGVDVFARASPEHKLRLVQALQASGEVVAMTGDGVNDAPALKRADVGVAMGNKGTEAAKEAAEVVLADDNFATIANAVREGRAVYDNLKKFILFMLPTNGGEALIVIAAILFQLTLPMTPAQILWINMVTSSTLGLALAFDPAERGLMQRPPRPPAEPLLSLFFVWRVLLVSLLMMAGALGLFLWELEHGTGLESARTMAVNSVVVCEMFYLLNSRHIYDSVLSREGLFGNRQVLLAIAACVMLQLLYTYAPPLQALFGSVGLAPGEWARVLLAGLGLFCVAELEKWLCRRVRARQA |
Consensus
[pKd Mean = 3.56] | - | 1363
(s=409) | 9
(s=4) | MNGIPPLSSRDAHASPPQRVLERLHSSAAGLDADEAARRLAAHGYNRLPAPKRQGPLLRLLRQFHNVLLYMMLFASLVTALLGFWVDSAVILLAVVVNALIGFVQEGKAANALDAIRDMLSLHALVLRDGQRQALDAERLVPGDVVLLASGDRVPADLRLFETKNFHVDESALTGESVPVEKGCVAVAIDALLGDRRCMAYSGTLVTSGQARGVVVATAGDTELGRIGTLLREVRTLATPLLRQIASFSRWLALAILLLAGATFVLGTLWQGQPMVDMFMLVVALTASAIPEGLPAIMTVILALGVQRMARRNAIVSRLPAVETLGSVTVICSDKTGTLTRNEMTVQRIVTADQVIEVSGAGYAPLGGFSHNGEGLDPAGRDDLQEIGRAALLCNEARLHQEGEAWQLEGDPTEGALLSLGLKLGLDPQALAAERPRSDAIPFESEHRFMATLHHDHAGQAMVYLKGAPERILDMCEAERVGDSVRPLDPDYWRRLATDTAARGLRLLAIARRAMPAEQRTLDFADVEHGFTLLALVGIIDPPREEAVAAVAECQAAGIAVKMITGDHVDTARAIGAMLGIGIDRPALTGAEIELLDDQRLREVLPGVDVFARASPEHKLRLVQALQASGEVVAMTGDGVNDAPALKRADVGVAMGNKGTEAAKEAAEVVLADDNFATIANAVREGRAVYDNLKKFILFMLPTNGGEALIVIAAILFQLTLPMTPAQILWINMVTSSTLGLALAFDPAERGLMQRPPRPPAEPLLSLFFVWRVLLVSLLMMAGALGLFLWELEHGTGLESARTMAVNSVVVCEMFYLLNSRHIYDSVLSREGLFGNRQVLLAIAACVMLQLLYTYAPPLQALFGSVGLAPGEWARVLLAGLGLFCVAELEKWLCRRVRARQA |