| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C3_S1 |
| Complex: BEN_A_4(4EDK) / Model_3(4EDK/A) = [3.3]
| Download | 1292.26 | 14.09 | MGNRIPDEIVDQVQKSADIVEVIGDYVQLKKQGRNYFGLCPFHGESTPSFSVSPDKQIFHCFGCGAGGNVFSFLRQMEGYSFAESVSHLADKYQIDFPDDITVHSGARPESSGEQKMAEAHELLKKFYHHLLINTKEGQEALDYLLSRGFTKELINEFQIGYALDSWDFITKFLVKRGFSEAQMEKAGLLIRREDGSGYFDRFRNRVMFPIHDHHGAVVAFSGRALGSQQPKYMNSPETPLFHKSKLLYNFYKARLHIRKQERAVLFEGFADVISAVSSDVKESIATMGTSLTDDHVKILRRNVEEIILCYDSDKAGYEATLKASELLQKKGCKVRVAMIPDGLDPDDYIKKFGGEKFKNDIIDASVTVMAFKMQYFRKGKNLSDEGDRLAYIKDVLKEISTLSGSLEQEVYVKQLASEFSLSQESLTEQLSVFSKQNKPADNSGETKTRRAHLTTKARQKRLRPAYENAERLLLAHMLRDRSVIKKVIDRVGFQFNIDEHRALAAYLYAFYEEGAELTPQHLMARVTDDHISQLLSDILMLQVNQELSEAELSDYVKKVLNQRNWSMIKEKEAERAEAERQKDFLRAASLAQEIVTLNRSLK |
| Complex: BEN_A_4(4EDR) / Model_4(4EDR/A) = [3.4]
| Download | 1034.73 | 18.27 | MGNRIPDEIVDQVQKSADIVEVIGDYVQLKKQGRNYFGLCPFHGESTPSFSVSPDKQIFHCFGCGAGGNVFSFLRQMEGYSFAESVSHLADKYQIDFPDDITVHSGARPESSGEQKMAEAHELLKKFYHHLLINTKEGQEALDYLLSRGFTKELINEFQIGYALDSWDFITKFLVKRGFSEAQMEKAGLLIRREDGSGYFDRFRNRVMFPIHDHHGAVVAFSGRALGSQQPKYMNSPETPLFHKSKLLYNFYKARLHIRKQERAVLFEGFADVISAVSSDVKESIATMGTSLTDDHVKILRRNVEEIILCYDSDKAGYEATLKASELLQKKGCKVRVAMIPDGLDPDDYIKKFGGEKFKNDIIDASVTVMAFKMQYFRKGKNLSDEGDRLAYIKDVLKEISTLSGSLEQEVYVKQLASEFSLSQESLTEQLSVFSKQNKPADNSGETKTRRAHLTTKARQKRLRPAYENAERLLLAHMLRDRSVIKKVIDRVGFQFNIDEHRALAAYLYAFYEEGAELTPQHLMARVTDDHISQLLSDILMLQVNQELSEAELSDYVKKVLNQRNWSMIKEKEAERAEAERQKDFLRAASLAQEIVTLNRSLK |
| Complex: 0O2_A_3(4EDV) / Model_6(4EDV/A) = [4.3]
| Download | 1973.21 | 6.04 | MGNRIPDEIVDQVQKSADIVEVIGDYVQLKKQGRNYFGLCPFHGESTPSFSVSPDKQIFHCFGCGAGGNVFSFLRQMEGYSFAESVSHLADKYQIDFPDDITVHSGARPESSGEQKMAEAHELLKKFYHHLLINTKEGQEALDYLLSRGFTKELINEFQIGYALDSWDFITKFLVKRGFSEAQMEKAGLLIRREDGSGYFDRFRNRVMFPIHDHHGAVVAFSGRALGSQQPKYMNSPETPLFHKSKLLYNFYKARLHIRKQERAVLFEGFADVISAVSSDVKESIATMGTSLTDDHVKILRRNVEEIILCYDSDKAGYEATLKASELLQKKGCKVRVAMIPDGLDPDDYIKKFGGEKFKNDIIDASVTVMAFKMQYFRKGKNLSDEGDRLAYIKDVLKEISTLSGSLEQEVYVKQLASEFSLSQESLTEQLSVFSKQNKPADNSGETKTRRAHLTTKARQKRLRPAYENAERLLLAHMLRDRSVIKKVIDRVGFQFNIDEHRALAAYLYAFYEEGAELTPQHLMARVTDDHISQLLSDILMLQVNQELSEAELSDYVKKVLNQRNWSMIKEKEAERAEAERQKDFLRAASLAQEIVTLNRSLK |
| Complex: G4P_A_3(4EDT) / Model_5(4EDT/A) = [4.8]
| Download | 1894.10 | 7.50 | MGNRIPDEIVDQVQKSADIVEVIGDYVQLKKQGRNYFGLCPFHGESTPSFSVSPDKQIFHCFGCGAGGNVFSFLRQMEGYSFAESVSHLADKYQIDFPDDITVHSGARPESSGEQKMAEAHELLKKFYHHLLINTKEGQEALDYLLSRGFTKELINEFQIGYALDSWDFITKFLVKRGFSEAQMEKAGLLIRREDGSGYFDRFRNRVMFPIHDHHGAVVAFSGRALGSQQPKYMNSPETPLFHKSKLLYNFYKARLHIRKQERAVLFEGFADVISAVSSDVKESIATMGTSLTDDHVKILRRNVEEIILCYDSDKAGYEATLKASELLQKKGCKVRVAMIPDGLDPDDYIKKFGGEKFKNDIIDASVTVMAFKMQYFRKGKNLSDEGDRLAYIKDVLKEISTLSGSLEQEVYVKQLASEFSLSQESLTEQLSVFSKQNKPADNSGETKTRRAHLTTKARQKRLRPAYENAERLLLAHMLRDRSVIKKVIDRVGFQFNIDEHRALAAYLYAFYEEGAELTPQHLMARVTDDHISQLLSDILMLQVNQELSEAELSDYVKKVLNQRNWSMIKEKEAERAEAERQKDFLRAASLAQEIVTLNRSLK |
| Complex: NACID_C_1(3B39) / Model_11(3B39/A) = [4.9]
| Download | - | - | MGNRIPDEIVDQVQKSADIVEVIGDYVQLKKQGRNYFGLCPFHGESTPSFSVSPDKQIFHCFGCGAGGNVFSFLRQMEGYSFAESVSHLADKYQIDFPDDITVHSGARPESSGEQKMAEAHELLKKFYHHLLINTKEGQEALDYLLSRGFTKELINEFQIGYALDSWDFITKFLVKRGFSEAQMEKAGLLIRREDGSGYFDRFRNRVMFPIHDHHGAVVAFSGRALGSQQPKYMNSPETPLFHKSKLLYNFYKARLHIRKQERAVLFEGFADVISAVSSDVKESIATMGTSLTDDHVKILRRNVEEIILCYDSDKAGYEATLKASELLQKKGCKVRVAMIPDGLDPDDYIKKFGGEKFKNDIIDASVTVMAFKMQYFRKGKNLSDEGDRLAYIKDVLKEISTLSGSLEQEVYVKQLASEFSLSQESLTEQLSVFSKQNKPADNSGETKTRRAHLTTKARQKRLRPAYENAERLLLAHMLRDRSVIKKVIDRVGFQFNIDEHRALAAYLYAFYEEGAELTPQHLMARVTDDHISQLLSDILMLQVNQELSEAELSDYVKKVLNQRNWSMIKEKEAERAEAERQKDFLRAASLAQEIVTLNRSLK |
Consensus
[pKd Mean = 4.14] | - | 1548
(s=396) | 11
(s=4) | MGNRIPDEIVDQVQKSADIVEVIGDYVQLKKQGRNYFGLCPFHGESTPSFSVSPDKQIFHCFGCGAGGNVFSFLRQMEGYSFAESVSHLADKYQIDFPDDITVHSGARPESSGEQKMAEAHELLKKFYHHLLINTKEGQEALDYLLSRGFTKELINEFQIGYALDSWDFITKFLVKRGFSEAQMEKAGLLIRREDGSGYFDRFRNRVMFPIHDHHGAVVAFSGRALGSQQPKYMNSPETPLFHKSKLLYNFYKARLHIRKQERAVLFEGFADVISAVSSDVKESIATMGTSLTDDHVKILRRNVEEIILCYDSDKAGYEATLKASELLQKKGCKVRVAMIPDGLDPDDYIKKFGGEKFKNDIIDASVTVMAFKMQYFRKGKNLSDEGDRLAYIKDVLKEISTLSGSLEQEVYVKQLASEFSLSQESLTEQLSVFSKQNKPADNSGETKTRRAHLTTKARQKRLRPAYENAERLLLAHMLRDRSVIKKVIDRVGFQFNIDEHRALAAYLYAFYEEGAELTPQHLMARVTDDHISQLLSDILMLQVNQELSEAELSDYVKKVLNQRNWSMIKEKEAERAEAERQKDFLRAASLAQEIVTLNRSLK |