| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C1_S1 |
| Complex: U5P_A_5(3BK2) / Model_7(3BK2/A) = [3.1]
| Download | 679.51 | 11.59 | LTIKKAKNIKIIPLGGVDESGKNLYVVEIDEDIFILDAGLMFPENELLGIDIVIPDFKYLEENKDRVKAIFLTHGHEDAIGALPYLLQKIKAPVYGTELTIALAKSALKEHRKLRFKNFHVVNEETTLSFSKIDVSFFRTTHTIPDSVGIVLETSEGSIVYTGDFKFDQSAKDGYASDLSHIAEFGEKGVLALLSDSSEAEHPGTTSSDSLIEEEIRHAFRMADGRIIVACVASNLIRLQQVLDASVATKRKVAIVGKELERVFEIAGSLGKIVIEEDLIVPLKELKKYSDDEITIIETGNLGEPIQSLQLMTKGNHPQLNIKPGDTVYITTTPSPSLETMMAKTMDMLYKAGAKVLTMSNNLFISGHASQEDLKLMINLLKPRYFVPVHGEYRMLISHAKLAHEVGMAKSEVFIVGKGEILEYKNDKMTAGNRVYSGNTLIDGLGVGDVGNIVLRDRKLLSEDGIFIVVVTLNRKSKTITSGPEIISRGFIYVRESEHLIEESSKVVTKIVEKNLQETGFEWAKLKQDIRDQLNRYLFEQTKRRPMILPIIMEV |
| Complex: C5P_B_9(5A0V) / Model_24(5A0V/B) = [4.0]
| Download | 1028.40 | 5.70 | LTIKKAKNIKIIPLGGVDESGKNLYVVEIDEDIFILDAGLMFPENELLGIDIVIPDFKYLEENKDRVKAIFLTHGHEDAIGALPYLLQKIKAPVYGTELTIALAKSALKEHRKLRFKNFHVVNEETTLSFSKIDVSFFRTTHTIPDSVGIVLETSEGSIVYTGDFKFDQSAKDGYASDLSHIAEFGEKGVLALLSDSSEAEHPGTTSSDSLIEEEIRHAFRMADGRIIVACVASNLIRLQQVLDASVATKRKVAIVGKELERVFEIAGSLGKIVIEEDLIVPLKELKKYSDDEITIIETGNLGEPIQSLQLMTKGNHPQLNIKPGDTVYITTTPSPSLETMMAKTMDMLYKAGAKVLTMSNNLFISGHASQEDLKLMINLLKPRYFVPVHGEYRMLISHAKLAHEVGMAKSEVFIVGKGEILEYKNDKMTAGNRVYSGNTLIDGLGVGDVGNIVLRDRKLLSEDGIFIVVVTLNRKSKTITSGPEIISRGFIYVRESEHLIEESSKVVTKIVEKNLQETGFEWAKLKQDIRDQLNRYLFEQTKRRPMILPIIMEV |
| Complex: NACID_E_3(5A0T) / Model_2(5A0T/A) = [8.2]
| Download | - | - | LTIKKAKNIKIIPLGGVDESGKNLYVVEIDEDIFILDAGLMFPENELLGIDIVIPDFKYLEENKDRVKAIFLTHGHEDAIGALPYLLQKIKAPVYGTELTIALAKSALKEHRKLRFKNFHVVNEETTLSFSKIDVSFFRTTHTIPDSVGIVLETSEGSIVYTGDFKFDQSAKDGYASDLSHIAEFGEKGVLALLSDSSEAEHPGTTSSDSLIEEEIRHAFRMADGRIIVACVASNLIRLQQVLDASVATKRKVAIVGKELERVFEIAGSLGKIVIEEDLIVPLKELKKYSDDEITIIETGNLGEPIQSLQLMTKGNHPQLNIKPGDTVYITTTPSPSLETMMAKTMDMLYKAGAKVLTMSNNLFISGHASQEDLKLMINLLKPRYFVPVHGEYRMLISHAKLAHEVGMAKSEVFIVGKGEILEYKNDKMTAGNRVYSGNTLIDGLGVGDVGNIVLRDRKLLSEDGIFIVVVTLNRKSKTITSGPEIISRGFIYVRESEHLIEESSKVVTKIVEKNLQETGFEWAKLKQDIRDQLNRYLFEQTKRRPMILPIIMEV |
| Complex: NACID_F_4(5A0V) / Model_24(5A0V/B) = [8.6]
| Download | - | - | LTIKKAKNIKIIPLGGVDESGKNLYVVEIDEDIFILDAGLMFPENELLGIDIVIPDFKYLEENKDRVKAIFLTHGHEDAIGALPYLLQKIKAPVYGTELTIALAKSALKEHRKLRFKNFHVVNEETTLSFSKIDVSFFRTTHTIPDSVGIVLETSEGSIVYTGDFKFDQSAKDGYASDLSHIAEFGEKGVLALLSDSSEAEHPGTTSSDSLIEEEIRHAFRMADGRIIVACVASNLIRLQQVLDASVATKRKVAIVGKELERVFEIAGSLGKIVIEEDLIVPLKELKKYSDDEITIIETGNLGEPIQSLQLMTKGNHPQLNIKPGDTVYITTTPSPSLETMMAKTMDMLYKAGAKVLTMSNNLFISGHASQEDLKLMINLLKPRYFVPVHGEYRMLISHAKLAHEVGMAKSEVFIVGKGEILEYKNDKMTAGNRVYSGNTLIDGLGVGDVGNIVLRDRKLLSEDGIFIVVVTLNRKSKTITSGPEIISRGFIYVRESEHLIEESSKVVTKIVEKNLQETGFEWAKLKQDIRDQLNRYLFEQTKRRPMILPIIMEV |
| Complex: NACID_E_3(5A0V) / Model_3(5A0V/A) = [9.3]
| Download | - | - | LTIKKAKNIKIIPLGGVDESGKNLYVVEIDEDIFILDAGLMFPENELLGIDIVIPDFKYLEENKDRVKAIFLTHGHEDAIGALPYLLQKIKAPVYGTELTIALAKSALKEHRKLRFKNFHVVNEETTLSFSKIDVSFFRTTHTIPDSVGIVLETSEGSIVYTGDFKFDQSAKDGYASDLSHIAEFGEKGVLALLSDSSEAEHPGTTSSDSLIEEEIRHAFRMADGRIIVACVASNLIRLQQVLDASVATKRKVAIVGKELERVFEIAGSLGKIVIEEDLIVPLKELKKYSDDEITIIETGNLGEPIQSLQLMTKGNHPQLNIKPGDTVYITTTPSPSLETMMAKTMDMLYKAGAKVLTMSNNLFISGHASQEDLKLMINLLKPRYFVPVHGEYRMLISHAKLAHEVGMAKSEVFIVGKGEILEYKNDKMTAGNRVYSGNTLIDGLGVGDVGNIVLRDRKLLSEDGIFIVVVTLNRKSKTITSGPEIISRGFIYVRESEHLIEESSKVVTKIVEKNLQETGFEWAKLKQDIRDQLNRYLFEQTKRRPMILPIIMEV |
Consensus
[pKd Mean = 6.64] | - | 853
(s=174) | 8
(s=3) | LTIKKAKNIKIIPLGGVDESGKNLYVVEIDEDIFILDAGLMFPENELLGIDIVIPDFKYLEENKDRVKAIFLTHGHEDAIGALPYLLQKIKAPVYGTELTIALAKSALKEHRKLRFKNFHVVNEETTLSFSKIDVSFFRTTHTIPDSVGIVLETSEGSIVYTGDFKFDQSAKDGYASDLSHIAEFGEKGVLALLSDSSEAEHPGTTSSDSLIEEEIRHAFRMADGRIIVACVASNLIRLQQVLDASVATKRKVAIVGKELERVFEIAGSLGKIVIEEDLIVPLKELKKYSDDEITIIETGNLGEPIQSLQLMTKGNHPQLNIKPGDTVYITTTPSPSLETMMAKTMDMLYKAGAKVLTMSNNLFISGHASQEDLKLMINLLKPRYFVPVHGEYRMLISHAKLAHEVGMAKSEVFIVGKGEILEYKNDKMTAGNRVYSGNTLIDGLGVGDVGNIVLRDRKLLSEDGIFIVVVTLNRKSKTITSGPEIISRGFIYVRESEHLIEESSKVVTKIVEKNLQETGFEWAKLKQDIRDQLNRYLFEQTKRRPMILPIIMEV |