| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C3_S1 |
| Complex: SAH_A_5(1M6Y) / Model_141(1M6Y/A) = [7.4]
| Download | 781.09 | 6.45 | MNATYRHITVLLEEAVSALAPREDGCYLDGTFGRGGHSRALLEKLGAGGRLLGFDKDPQAIQTGKALAAEDGRFVIVQRSFAELGDEVRARGLEGRVDGVLLDLGVSSPQLDDPERGFSFLNDGPLDMRMNPGQGISAAEFIANATEEEIARVFKEYGEERFAKRMARAIVQRRQERPFERTADLAEVITVANPAWEKGKNPATRAFQGLRIHVNNELGDLERGLDAALESLAVGGRLVVISFHSLEDRIVKLFMRKHAKGEADNLPRDLPIRSKVFEPRLKLLGKPQYASEEELKANPRSRSAVMRVAEKLR |
| Complex: SAH_A_5(1M6Y) / Model_3(1M6Y/A) = [7.7]
| Download | 685.49 | 6.79 | MNATYRHITVLLEEAVSALAPREDGCYLDGTFGRGGHSRALLEKLGAGGRLLGFDKDPQAIQTGKALAAEDGRFVIVQRSFAELGDEVRARGLEGRVDGVLLDLGVSSPQLDDPERGFSFLNDGPLDMRMNPGQGISAAEFIANATEEEIARVFKEYGEERFAKRMARAIVQRRQERPFERTADLAEVITVANPAWEKGKNPATRAFQGLRIHVNNELGDLERGLDAALESLAVGGRLVVISFHSLEDRIVKLFMRKHAKGEADNLPRDLPIRSKVFEPRLKLLGKPQYASEEELKANPRSRSAVMRVAEKLR |
| Complex: SAH_A_5(1M6Y) / Model_118(1M6Y/A) = [7.7]
| Download | 627.59 | 6.79 | MNATYRHITVLLEEAVSALAPREDGCYLDGTFGRGGHSRALLEKLGAGGRLLGFDKDPQAIQTGKALAAEDGRFVIVQRSFAELGDEVRARGLEGRVDGVLLDLGVSSPQLDDPERGFSFLNDGPLDMRMNPGQGISAAEFIANATEEEIARVFKEYGEERFAKRMARAIVQRRQERPFERTADLAEVITVANPAWEKGKNPATRAFQGLRIHVNNELGDLERGLDAALESLAVGGRLVVISFHSLEDRIVKLFMRKHAKGEADNLPRDLPIRSKVFEPRLKLLGKPQYASEEELKANPRSRSAVMRVAEKLR |
| Complex: SAM_A_5(1N2X) / Model_4(1N2X/A) = [8.7]
| Download | 694.09 | 13.15 | MNATYRHITVLLEEAVSALAPREDGCYLDGTFGRGGHSRALLEKLGAGGRLLGFDKDPQAIQTGKALAAEDGRFVIVQRSFAELGDEVRARGLEGRVDGVLLDLGVSSPQLDDPERGFSFLNDGPLDMRMNPGQGISAAEFIANATEEEIARVFKEYGEERFAKRMARAIVQRRQERPFERTADLAEVITVANPAWEKGKNPATRAFQGLRIHVNNELGDLERGLDAALESLAVGGRLVVISFHSLEDRIVKLFMRKHAKGEADNLPRDLPIRSKVFEPRLKLLGKPQYASEEELKANPRSRSAVMRVAEKLR |
| Complex: SAM_C_3(1WG8) / Model_21(1WG8/B) = [9.1]
| Download | 902.77 | 13.12 | MNATYRHITVLLEEAVSALAPREDGCYLDGTFGRGGHSRALLEKLGAGGRLLGFDKDPQAIQTGKALAAEDGRFVIVQRSFAELGDEVRARGLEGRVDGVLLDLGVSSPQLDDPERGFSFLNDGPLDMRMNPGQGISAAEFIANATEEEIARVFKEYGEERFAKRMARAIVQRRQERPFERTADLAEVITVANPAWEKGKNPATRAFQGLRIHVNNELGDLERGLDAALESLAVGGRLVVISFHSLEDRIVKLFMRKHAKGEADNLPRDLPIRSKVFEPRLKLLGKPQYASEEELKANPRSRSAVMRVAEKLR |
Consensus
[pKd Mean = 8.12] | - | 738
(s=95) | 9
(s=3) | MNATYRHITVLLEEAVSALAPREDGCYLDGTFGRGGHSRALLEKLGAGGRLLGFDKDPQAIQTGKALAAEDGRFVIVQRSFAELGDEVRARGLEGRVDGVLLDLGVSSPQLDDPERGFSFLNDGPLDMRMNPGQGISAAEFIANATEEEIARVFKEYGEERFAKRMARAIVQRRQERPFERTADLAEVITVANPAWEKGKNPATRAFQGLRIHVNNELGDLERGLDAALESLAVGGRLVVISFHSLEDRIVKLFMRKHAKGEADNLPRDLPIRSKVFEPRLKLLGKPQYASEEELKANPRSRSAVMRVAEKLR |