| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C3_S1 |
| Complex: GLY_B_2(1YFT) / Model_12(1YFT/A) = [3.1]
| Download | 7633.03 | 25.87 | MDIRNEFLQFFQNKGHEIYPSMPLVPNDATLLFTNAGMVQFKDIFTGIVPRPSIPRAASSQLCMRAGGKHNDLENVGYTARHHTLFEMLGNFSFGDYFKEEAILFAWEFVTKNLGFKPKDLYISVHEKDDEAVKLWEKFVPVDRIKKMGDKDNFWQMGDSGPCGPCSEIYIDQGEKHFKGSEDYFGGEGDRFLEIWNLVFMQYERSNDGVLSPLPKPSIDTGMGLERVQALLEHKLNNFDSSLFAPLMEEISELTGLDYASEFQPSFRVVADHARAVAFLLAQEVHFNKEGRGYVLRRILRRALRHGYLMGLKEAFLYKVVGVVCEQFSNVHAYLKESKEMVMKECFEEEERFLETLESGMELFNLSLTHLNENKIFDGKIAFKLYDTFGFPLDLTNDMLRSHGACVDMQGFENCMQEQVKRSKASWKGKQNNADFSAILNAYAPNEFVGYETTECLANALGFFDSDFKEITEANPNQEVWVLLEKTPFYAEGGGAIGDRGTLFKDNEEAALVLDTKNFFGLNFSLLEIKKALKKGDQVIAQVSDERLEIAKHHSATHLLQSALREVLGSHVSQAGSLVESKRLRFDFSHAKALNDEELEKVEDLVNAQIFKHLTSQVEHMPLNQAKDKGALALFSEKYAENVRVVSFKEASIELCGGIHVENTGLIGGFRIVKESGVSSGVRRIEAVCGKAFYQLTKEENKELKNAKTLLKNNDVIAGINKLKESVKNSQKAPVSMDLPVEKIHGVNLVVGVVEQGDIKEMIDRLKSKHEKLLAIVFKKENERITLACGVKNVPIKANAWANEVAQILGGKGGGRDDFASAGGKDIENLQAALNLAKNTALKALEG |
| Complex: SER_B_2(1YGB) / Model_13(1YGB/A) = [3.5]
| Download | 9475.50 | 31.83 | MDIRNEFLQFFQNKGHEIYPSMPLVPNDATLLFTNAGMVQFKDIFTGIVPRPSIPRAASSQLCMRAGGKHNDLENVGYTARHHTLFEMLGNFSFGDYFKEEAILFAWEFVTKNLGFKPKDLYISVHEKDDEAVKLWEKFVPVDRIKKMGDKDNFWQMGDSGPCGPCSEIYIDQGEKHFKGSEDYFGGEGDRFLEIWNLVFMQYERSNDGVLSPLPKPSIDTGMGLERVQALLEHKLNNFDSSLFAPLMEEISELTGLDYASEFQPSFRVVADHARAVAFLLAQEVHFNKEGRGYVLRRILRRALRHGYLMGLKEAFLYKVVGVVCEQFSNVHAYLKESKEMVMKECFEEEERFLETLESGMELFNLSLTHLNENKIFDGKIAFKLYDTFGFPLDLTNDMLRSHGACVDMQGFENCMQEQVKRSKASWKGKQNNADFSAILNAYAPNEFVGYETTECLANALGFFDSDFKEITEANPNQEVWVLLEKTPFYAEGGGAIGDRGTLFKDNEEAALVLDTKNFFGLNFSLLEIKKALKKGDQVIAQVSDERLEIAKHHSATHLLQSALREVLGSHVSQAGSLVESKRLRFDFSHAKALNDEELEKVEDLVNAQIFKHLTSQVEHMPLNQAKDKGALALFSEKYAENVRVVSFKEASIELCGGIHVENTGLIGGFRIVKESGVSSGVRRIEAVCGKAFYQLTKEENKELKNAKTLLKNNDVIAGINKLKESVKNSQKAPVSMDLPVEKIHGVNLVVGVVEQGDIKEMIDRLKSKHEKLLAIVFKKENERITLACGVKNVPIKANAWANEVAQILGGKGGGRDDFASAGGKDIENLQAALNLAKNTALKALEG |
| Complex: ATP_B_10(1YFR) / Model_27(1YFR/B) = [5.3]
| Download | 1324.95 | -2.00 | MDIRNEFLQFFQNKGHEIYPSMPLVPNDATLLFTNAGMVQFKDIFTGIVPRPSIPRAASSQLCMRAGGKHNDLENVGYTARHHTLFEMLGNFSFGDYFKEEAILFAWEFVTKNLGFKPKDLYISVHEKDDEAVKLWEKFVPVDRIKKMGDKDNFWQMGDSGPCGPCSEIYIDQGEKHFKGSEDYFGGEGDRFLEIWNLVFMQYERSNDGVLSPLPKPSIDTGMGLERVQALLEHKLNNFDSSLFAPLMEEISELTGLDYASEFQPSFRVVADHARAVAFLLAQEVHFNKEGRGYVLRRILRRALRHGYLMGLKEAFLYKVVGVVCEQFSNVHAYLKESKEMVMKECFEEEERFLETLESGMELFNLSLTHLNENKIFDGKIAFKLYDTFGFPLDLTNDMLRSHGACVDMQGFENCMQEQVKRSKASWKGKQNNADFSAILNAYAPNEFVGYETTECLANALGFFDSDFKEITEANPNQEVWVLLEKTPFYAEGGGAIGDRGTLFKDNEEAALVLDTKNFFGLNFSLLEIKKALKKGDQVIAQVSDERLEIAKHHSATHLLQSALREVLGSHVSQAGSLVESKRLRFDFSHAKALNDEELEKVEDLVNAQIFKHLTSQVEHMPLNQAKDKGALALFSEKYAENVRVVSFKEASIELCGGIHVENTGLIGGFRIVKESGVSSGVRRIEAVCGKAFYQLTKEENKELKNAKTLLKNNDVIAGINKLKESVKNSQKAPVSMDLPVEKIHGVNLVVGVVEQGDIKEMIDRLKSKHEKLLAIVFKKENERITLACGVKNVPIKANAWANEVAQILGGKGGGRDDFASAGGKDIENLQAALNLAKNTALKALEG |
| Complex: G5A_A_3(3HY0) / Model_7(3HY0/A) = [5.7]
| Download | 584.40 | -1.38 | MDIRNEFLQFFQNKGHEIYPSMPLVPNDATLLFTNAGMVQFKDIFTGIVPRPSIPRAASSQLCMRAGGKHNDLENVGYTARHHTLFEMLGNFSFGDYFKEEAILFAWEFVTKNLGFKPKDLYISVHEKDDEAVKLWEKFVPVDRIKKMGDKDNFWQMGDSGPCGPCSEIYIDQGEKHFKGSEDYFGGEGDRFLEIWNLVFMQYERSNDGVLSPLPKPSIDTGMGLERVQALLEHKLNNFDSSLFAPLMEEISELTGLDYASEFQPSFRVVADHARAVAFLLAQEVHFNKEGRGYVLRRILRRALRHGYLMGLKEAFLYKVVGVVCEQFSNVHAYLKESKEMVMKECFEEEERFLETLESGMELFNLSLTHLNENKIFDGKIAFKLYDTFGFPLDLTNDMLRSHGACVDMQGFENCMQEQVKRSKASWKGKQNNADFSAILNAYAPNEFVGYETTECLANALGFFDSDFKEITEANPNQEVWVLLEKTPFYAEGGGAIGDRGTLFKDNEEAALVLDTKNFFGLNFSLLEIKKALKKGDQVIAQVSDERLEIAKHHSATHLLQSALREVLGSHVSQAGSLVESKRLRFDFSHAKALNDEELEKVEDLVNAQIFKHLTSQVEHMPLNQAKDKGALALFSEKYAENVRVVSFKEASIELCGGIHVENTGLIGGFRIVKESGVSSGVRRIEAVCGKAFYQLTKEENKELKNAKTLLKNNDVIAGINKLKESVKNSQKAPVSMDLPVEKIHGVNLVVGVVEQGDIKEMIDRLKSKHEKLLAIVFKKENERITLACGVKNVPIKANAWANEVAQILGGKGGGRDDFASAGGKDIENLQAALNLAKNTALKALEG |
| Complex: G5A_A_3(3HY0) / Model_40(3HY0/A) = [5.7]
| Download | 551.86 | -1.38 | MDIRNEFLQFFQNKGHEIYPSMPLVPNDATLLFTNAGMVQFKDIFTGIVPRPSIPRAASSQLCMRAGGKHNDLENVGYTARHHTLFEMLGNFSFGDYFKEEAILFAWEFVTKNLGFKPKDLYISVHEKDDEAVKLWEKFVPVDRIKKMGDKDNFWQMGDSGPCGPCSEIYIDQGEKHFKGSEDYFGGEGDRFLEIWNLVFMQYERSNDGVLSPLPKPSIDTGMGLERVQALLEHKLNNFDSSLFAPLMEEISELTGLDYASEFQPSFRVVADHARAVAFLLAQEVHFNKEGRGYVLRRILRRALRHGYLMGLKEAFLYKVVGVVCEQFSNVHAYLKESKEMVMKECFEEEERFLETLESGMELFNLSLTHLNENKIFDGKIAFKLYDTFGFPLDLTNDMLRSHGACVDMQGFENCMQEQVKRSKASWKGKQNNADFSAILNAYAPNEFVGYETTECLANALGFFDSDFKEITEANPNQEVWVLLEKTPFYAEGGGAIGDRGTLFKDNEEAALVLDTKNFFGLNFSLLEIKKALKKGDQVIAQVSDERLEIAKHHSATHLLQSALREVLGSHVSQAGSLVESKRLRFDFSHAKALNDEELEKVEDLVNAQIFKHLTSQVEHMPLNQAKDKGALALFSEKYAENVRVVSFKEASIELCGGIHVENTGLIGGFRIVKESGVSSGVRRIEAVCGKAFYQLTKEENKELKNAKTLLKNNDVIAGINKLKESVKNSQKAPVSMDLPVEKIHGVNLVVGVVEQGDIKEMIDRLKSKHEKLLAIVFKKENERITLACGVKNVPIKANAWANEVAQILGGKGGGRDDFASAGGKDIENLQAALNLAKNTALKALEG |
Consensus
[pKd Mean = 4.66] | - | 3913
(s=3843) | 10
(s=15) | MDIRNEFLQFFQNKGHEIYPSMPLVPNDATLLFTNAGMVQFKDIFTGIVPRPSIPRAASSQLCMRAGGKHNDLENVGYTARHHTLFEMLGNFSFGDYFKEEAILFAWEFVTKNLGFKPKDLYISVHEKDDEAVKLWEKFVPVDRIKKMGDKDNFWQMGDSGPCGPCSEIYIDQGEKHFKGSEDYFGGEGDRFLEIWNLVFMQYERSNDGVLSPLPKPSIDTGMGLERVQALLEHKLNNFDSSLFAPLMEEISELTGLDYASEFQPSFRVVADHARAVAFLLAQEVHFNKEGRGYVLRRILRRALRHGYLMGLKEAFLYKVVGVVCEQFSNVHAYLKESKEMVMKECFEEEERFLETLESGMELFNLSLTHLNENKIFDGKIAFKLYDTFGFPLDLTNDMLRSHGACVDMQGFENCMQEQVKRSKASWKGKQNNADFSAILNAYAPNEFVGYETTECLANALGFFDSDFKEITEANPNQEVWVLLEKTPFYAEGGGAIGDRGTLFKDNEEAALVLDTKNFFGLNFSLLEIKKALKKGDQVIAQVSDERLEIAKHHSATHLLQSALREVLGSHVSQAGSLVESKRLRFDFSHAKALNDEELEKVEDLVNAQIFKHLTSQVEHMPLNQAKDKGALALFSEKYAENVRVVSFKEASIELCGGIHVENTGLIGGFRIVKESGVSSGVRRIEAVCGKAFYQLTKEENKELKNAKTLLKNNDVIAGINKLKESVKNSQKAPVSMDLPVEKIHGVNLVVGVVEQGDIKEMIDRLKSKHEKLLAIVFKKENERITLACGVKNVPIKANAWANEVAQILGGKGGGRDDFASAGGKDIENLQAALNLAKNTALKALEG |