| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C1_S1 |
| Complex: S0G_A_4(3WKA) / Model_93(3WKA/A) = [3.1]
| Download | 574.24 | -8.00 | MDVLRTPDSRFEHLVGYPFAPHYVDVTAGDTQPLRMHYVDEGPGDGPPIVLLHGEPTWSYLYRTMIPPLSAAGHRVLAPDLIGFGRSDKPTRIEDYTYLRHVEWVTSWFENLDLHDVTLFVQDWGSLIGLRIAAEHGDRIARLVVANGFLPAAQGRTPLPFYVWRAFARYSPVLPAGRLVNFGTVHRVPAGVRAGYDAPFPDKTYQAGARAFPRLVPTSPDDPAVPANRAAWEALGRWDKPFLAIFGYRDPILGQADGPLIKHIPGAAGQPHARIKASHFIQEDSGTELAERMLSWQQAT |
| Complex: 49O_A_3(4Y2R) / Model_81(4Y2R/A) = [3.1]
| Download | 366.27 | 13.50 | MDVLRTPDSRFEHLVGYPFAPHYVDVTAGDTQPLRMHYVDEGPGDGPPIVLLHGEPTWSYLYRTMIPPLSAAGHRVLAPDLIGFGRSDKPTRIEDYTYLRHVEWVTSWFENLDLHDVTLFVQDWGSLIGLRIAAEHGDRIARLVVANGFLPAAQGRTPLPFYVWRAFARYSPVLPAGRLVNFGTVHRVPAGVRAGYDAPFPDKTYQAGARAFPRLVPTSPDDPAVPANRAAWEALGRWDKPFLAIFGYRDPILGQADGPLIKHIPGAAGQPHARIKASHFIQEDSGTELAERMLSWQQAT |
| Complex: 49N_A_3(4Y2Q) / Model_82(4Y2Q/A) = [3.2]
| Download | 281.99 | 30.60 | MDVLRTPDSRFEHLVGYPFAPHYVDVTAGDTQPLRMHYVDEGPGDGPPIVLLHGEPTWSYLYRTMIPPLSAAGHRVLAPDLIGFGRSDKPTRIEDYTYLRHVEWVTSWFENLDLHDVTLFVQDWGSLIGLRIAAEHGDRIARLVVANGFLPAAQGRTPLPFYVWRAFARYSPVLPAGRLVNFGTVHRVPAGVRAGYDAPFPDKTYQAGARAFPRLVPTSPDDPAVPANRAAWEALGRWDKPFLAIFGYRDPILGQADGPLIKHIPGAAGQPHARIKASHFIQEDSGTELAERMLSWQQAT |
| Complex: 49P_A_3(4Y2S) / Model_80(4Y2S/A) = [3.4]
| Download | 168.89 | 13.50 | MDVLRTPDSRFEHLVGYPFAPHYVDVTAGDTQPLRMHYVDEGPGDGPPIVLLHGEPTWSYLYRTMIPPLSAAGHRVLAPDLIGFGRSDKPTRIEDYTYLRHVEWVTSWFENLDLHDVTLFVQDWGSLIGLRIAAEHGDRIARLVVANGFLPAAQGRTPLPFYVWRAFARYSPVLPAGRLVNFGTVHRVPAGVRAGYDAPFPDKTYQAGARAFPRLVPTSPDDPAVPANRAAWEALGRWDKPFLAIFGYRDPILGQADGPLIKHIPGAAGQPHARIKASHFIQEDSGTELAERMLSWQQAT |
| Complex: 3C5_A_3(4Y2P) / Model_83(4Y2P/A) = [3.4]
| Download | 572.21 | 13.50 | MDVLRTPDSRFEHLVGYPFAPHYVDVTAGDTQPLRMHYVDEGPGDGPPIVLLHGEPTWSYLYRTMIPPLSAAGHRVLAPDLIGFGRSDKPTRIEDYTYLRHVEWVTSWFENLDLHDVTLFVQDWGSLIGLRIAAEHGDRIARLVVANGFLPAAQGRTPLPFYVWRAFARYSPVLPAGRLVNFGTVHRVPAGVRAGYDAPFPDKTYQAGARAFPRLVPTSPDDPAVPANRAAWEALGRWDKPFLAIFGYRDPILGQADGPLIKHIPGAAGQPHARIKASHFIQEDSGTELAERMLSWQQAT |
Consensus
[pKd Mean = 3.24] | - | 392
(s=160) | 12
(s=12) | MDVLRTPDSRFEHLVGYPFAPHYVDVTAGDTQPLRMHYVDEGPGDGPPIVLLHGEPTWSYLYRTMIPPLSAAGHRVLAPDLIGFGRSDKPTRIEDYTYLRHVEWVTSWFENLDLHDVTLFVQDWGSLIGLRIAAEHGDRIARLVVANGFLPAAQGRTPLPFYVWRAFARYSPVLPAGRLVNFGTVHRVPAGVRAGYDAPFPDKTYQAGARAFPRLVPTSPDDPAVPANRAAWEALGRWDKPFLAIFGYRDPILGQADGPLIKHIPGAAGQPHARIKASHFIQEDSGTELAERMLSWQQAT |