Complexes [Theoretical pKd] | File | Volume (A3) (FPocket) | Hydrophobicity Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C2_S1 |
Complex: A99_B_4(2YJ6) / Model_28(2YJ6/B) = [4.4]
| Download | 1867.24 | 12.35 | MTTAVTGEHHASVQRIQLRISGMSCSACAHRVESTLNKLPGVRAAVNFGTRVATIDTSEAVDAAALCQAVRRAGYQADLCTDDGRSASDPDADHARQLLIRLAIAAVLFVPVADLSVMFGVVPATRFTGWQWVLSALALPVVTWAAWPFHRVAMRNARHHAASMETLISVGITAATIWSLYTVFGNHSPIERSGIWQALLGSDAIYFEVAAGVTVFVLVGRYFEARAKSQAGSALRALAALSAKEVAVLLPDGSEMVIPADELKEQQRFVVRPGQIVAADGLAVDGSAAVDMSAMTGEAKPTRVRPGGQVIGGTTVLDGRLIVEAAAVGADTQFAGMVRLVEQAQAQKADAQRLADRISSVFVPAVLVIAALTAAGWLIAGGQPDRAVSAALAVLVIACPCALGLATPTAMMVASGRGAQLGIFLKGYKSLEATRAVDTVVFDKTGTLTTGRLQVSAVTAAPGWEADQVLALAATVEAASEHSVALAIAAATTRRDAVTDFRAIPGRGVSGTVSGRAVRVGKPSWIGSSSCHPNMRAARRHAESLGETAVFVEVDGEPCGVIAVADAVKDSARDAVAALADRGLRTMLLTGDNPESAAAVATRVGIDEVIADILPEGKVDVIEQLRDRGHVVAMVGDGINDGPALARADLGMAIGRGTDVAIGAADIILVRDHLDVVPLALDLARATMRTVKLNMVWAFGYNIAAIPVAAAGLLNPLVAGAAMAFSSFFVVSNSLRLRKFGRYPLGCGTVGGPQMTAPSSA |
Complex: A99_A_3(2YJ5) / Model_17(2YJ5/A) = [5.0]
| Download | 1566.97 | 17.76 | MTTAVTGEHHASVQRIQLRISGMSCSACAHRVESTLNKLPGVRAAVNFGTRVATIDTSEAVDAAALCQAVRRAGYQADLCTDDGRSASDPDADHARQLLIRLAIAAVLFVPVADLSVMFGVVPATRFTGWQWVLSALALPVVTWAAWPFHRVAMRNARHHAASMETLISVGITAATIWSLYTVFGNHSPIERSGIWQALLGSDAIYFEVAAGVTVFVLVGRYFEARAKSQAGSALRALAALSAKEVAVLLPDGSEMVIPADELKEQQRFVVRPGQIVAADGLAVDGSAAVDMSAMTGEAKPTRVRPGGQVIGGTTVLDGRLIVEAAAVGADTQFAGMVRLVEQAQAQKADAQRLADRISSVFVPAVLVIAALTAAGWLIAGGQPDRAVSAALAVLVIACPCALGLATPTAMMVASGRGAQLGIFLKGYKSLEATRAVDTVVFDKTGTLTTGRLQVSAVTAAPGWEADQVLALAATVEAASEHSVALAIAAATTRRDAVTDFRAIPGRGVSGTVSGRAVRVGKPSWIGSSSCHPNMRAARRHAESLGETAVFVEVDGEPCGVIAVADAVKDSARDAVAALADRGLRTMLLTGDNPESAAAVATRVGIDEVIADILPEGKVDVIEQLRDRGHVVAMVGDGINDGPALARADLGMAIGRGTDVAIGAADIILVRDHLDVVPLALDLARATMRTVKLNMVWAFGYNIAAIPVAAAGLLNPLVAGAAMAFSSFFVVSNSLRLRKFGRYPLGCGTVGGPQMTAPSSA |
Complex: A99_A_3(2YJ6) / Model_18(2YJ6/A) = [5.1]
| Download | 1922.96 | 8.67 | MTTAVTGEHHASVQRIQLRISGMSCSACAHRVESTLNKLPGVRAAVNFGTRVATIDTSEAVDAAALCQAVRRAGYQADLCTDDGRSASDPDADHARQLLIRLAIAAVLFVPVADLSVMFGVVPATRFTGWQWVLSALALPVVTWAAWPFHRVAMRNARHHAASMETLISVGITAATIWSLYTVFGNHSPIERSGIWQALLGSDAIYFEVAAGVTVFVLVGRYFEARAKSQAGSALRALAALSAKEVAVLLPDGSEMVIPADELKEQQRFVVRPGQIVAADGLAVDGSAAVDMSAMTGEAKPTRVRPGGQVIGGTTVLDGRLIVEAAAVGADTQFAGMVRLVEQAQAQKADAQRLADRISSVFVPAVLVIAALTAAGWLIAGGQPDRAVSAALAVLVIACPCALGLATPTAMMVASGRGAQLGIFLKGYKSLEATRAVDTVVFDKTGTLTTGRLQVSAVTAAPGWEADQVLALAATVEAASEHSVALAIAAATTRRDAVTDFRAIPGRGVSGTVSGRAVRVGKPSWIGSSSCHPNMRAARRHAESLGETAVFVEVDGEPCGVIAVADAVKDSARDAVAALADRGLRTMLLTGDNPESAAAVATRVGIDEVIADILPEGKVDVIEQLRDRGHVVAMVGDGINDGPALARADLGMAIGRGTDVAIGAADIILVRDHLDVVPLALDLARATMRTVKLNMVWAFGYNIAAIPVAAAGLLNPLVAGAAMAFSSFFVVSNSLRLRKFGRYPLGCGTVGGPQMTAPSSA |
Complex: ADP_B_5(3A1D) / Model_24(3A1D/B) = [5.2]
| Download | 996.17 | 9.44 | MTTAVTGEHHASVQRIQLRISGMSCSACAHRVESTLNKLPGVRAAVNFGTRVATIDTSEAVDAAALCQAVRRAGYQADLCTDDGRSASDPDADHARQLLIRLAIAAVLFVPVADLSVMFGVVPATRFTGWQWVLSALALPVVTWAAWPFHRVAMRNARHHAASMETLISVGITAATIWSLYTVFGNHSPIERSGIWQALLGSDAIYFEVAAGVTVFVLVGRYFEARAKSQAGSALRALAALSAKEVAVLLPDGSEMVIPADELKEQQRFVVRPGQIVAADGLAVDGSAAVDMSAMTGEAKPTRVRPGGQVIGGTTVLDGRLIVEAAAVGADTQFAGMVRLVEQAQAQKADAQRLADRISSVFVPAVLVIAALTAAGWLIAGGQPDRAVSAALAVLVIACPCALGLATPTAMMVASGRGAQLGIFLKGYKSLEATRAVDTVVFDKTGTLTTGRLQVSAVTAAPGWEADQVLALAATVEAASEHSVALAIAAATTRRDAVTDFRAIPGRGVSGTVSGRAVRVGKPSWIGSSSCHPNMRAARRHAESLGETAVFVEVDGEPCGVIAVADAVKDSARDAVAALADRGLRTMLLTGDNPESAAAVATRVGIDEVIADILPEGKVDVIEQLRDRGHVVAMVGDGINDGPALARADLGMAIGRGTDVAIGAADIILVRDHLDVVPLALDLARATMRTVKLNMVWAFGYNIAAIPVAAAGLLNPLVAGAAMAFSSFFVVSNSLRLRKFGRYPLGCGTVGGPQMTAPSSA |
Complex: ADP_A_3(3A1D) / Model_11(3A1D/A) = [5.5]
| Download | 1155.10 | 13.15 | MTTAVTGEHHASVQRIQLRISGMSCSACAHRVESTLNKLPGVRAAVNFGTRVATIDTSEAVDAAALCQAVRRAGYQADLCTDDGRSASDPDADHARQLLIRLAIAAVLFVPVADLSVMFGVVPATRFTGWQWVLSALALPVVTWAAWPFHRVAMRNARHHAASMETLISVGITAATIWSLYTVFGNHSPIERSGIWQALLGSDAIYFEVAAGVTVFVLVGRYFEARAKSQAGSALRALAALSAKEVAVLLPDGSEMVIPADELKEQQRFVVRPGQIVAADGLAVDGSAAVDMSAMTGEAKPTRVRPGGQVIGGTTVLDGRLIVEAAAVGADTQFAGMVRLVEQAQAQKADAQRLADRISSVFVPAVLVIAALTAAGWLIAGGQPDRAVSAALAVLVIACPCALGLATPTAMMVASGRGAQLGIFLKGYKSLEATRAVDTVVFDKTGTLTTGRLQVSAVTAAPGWEADQVLALAATVEAASEHSVALAIAAATTRRDAVTDFRAIPGRGVSGTVSGRAVRVGKPSWIGSSSCHPNMRAARRHAESLGETAVFVEVDGEPCGVIAVADAVKDSARDAVAALADRGLRTMLLTGDNPESAAAVATRVGIDEVIADILPEGKVDVIEQLRDRGHVVAMVGDGINDGPALARADLGMAIGRGTDVAIGAADIILVRDHLDVVPLALDLARATMRTVKLNMVWAFGYNIAAIPVAAAGLLNPLVAGAAMAFSSFFVVSNSLRLRKFGRYPLGCGTVGGPQMTAPSSA |
Consensus [pKd Mean = 5.04] | - | 1501 (s=371) | 12 (s=3) | MTTAVTGEHHASVQRIQLRISGMSCSACAHRVESTLNKLPGVRAAVNFGTRVATIDTSEAVDAAALCQAVRRAGYQADLCTDDGRSASDPDADHARQLLIRLAIAAVLFVPVADLSVMFGVVPATRFTGWQWVLSALALPVVTWAAWPFHRVAMRNARHHAASMETLISVGITAATIWSLYTVFGNHSPIERSGIWQALLGSDAIYFEVAAGVTVFVLVGRYFEARAKSQAGSALRALAALSAKEVAVLLPDGSEMVIPADELKEQQRFVVRPGQIVAADGLAVDGSAAVDMSAMTGEAKPTRVRPGGQVIGGTTVLDGRLIVEAAAVGADTQFAGMVRLVEQAQAQKADAQRLADRISSVFVPAVLVIAALTAAGWLIAGGQPDRAVSAALAVLVIACPCALGLATPTAMMVASGRGAQLGIFLKGYKSLEATRAVDTVVFDKTGTLTTGRLQVSAVTAAPGWEADQVLALAATVEAASEHSVALAIAAATTRRDAVTDFRAIPGRGVSGTVSGRAVRVGKPSWIGSSSCHPNMRAARRHAESLGETAVFVEVDGEPCGVIAVADAVKDSARDAVAALADRGLRTMLLTGDNPESAAAVATRVGIDEVIADILPEGKVDVIEQLRDRGHVVAMVGDGINDGPALARADLGMAIGRGTDVAIGAADIILVRDHLDVVPLALDLARATMRTVKLNMVWAFGYNIAAIPVAAAGLLNPLVAGAAMAFSSFFVVSNSLRLRKFGRYPLGCGTVGGPQMTAPSSA |