| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C2_S1 |
| Complex: PEO_A_4(4GRC) / Model_1(4GRC/A) = [3.2]
| Download | 241.25 | 36.64 | MTDKKSENQTEKTETKENKGMTRREMLKLSAVAGTGIAVGATGLGTILNVVDQVDKALTPKEKAETGVPFYASNQAGIITAQQTYCYIASFDIQTESRQILQDLFVKWTKFADLTTSGGVLRDVDNDMLPPNDTGEADGLGISNFTVTLGYGPTFFEKDGKDRFGVKAKKPKYLEKIPHMAHDSLDEAYSDGDLCIQVCADDQQVAFHGIRNFIRLASGVAVVRWIEEGFLSAPKNETPRNLFGFKDGTANVDHDSNKGYKDVVWAEKDEPEWMRNGSYLGYRKIQMLIEIWDRSSLLDQEDTFGRKKASGAPYHKKHEHDKVDPSKLPADSHVRLAKDTKQQMHRRAYSYTNGIDKSTGTIDAGLLFICFTQNPAKQFLPMLSIMGKMDKLNEYTVPIGSAMFACQGGLAPGEIFGEKLL |
| Complex: HEM_A_3(4GS1) / Model_7(4GS1/A) = [7.9]
| Download | 389.92 | 32.63 | MTDKKSENQTEKTETKENKGMTRREMLKLSAVAGTGIAVGATGLGTILNVVDQVDKALTPKEKAETGVPFYASNQAGIITAQQTYCYIASFDIQTESRQILQDLFVKWTKFADLTTSGGVLRDVDNDMLPPNDTGEADGLGISNFTVTLGYGPTFFEKDGKDRFGVKAKKPKYLEKIPHMAHDSLDEAYSDGDLCIQVCADDQQVAFHGIRNFIRLASGVAVVRWIEEGFLSAPKNETPRNLFGFKDGTANVDHDSNKGYKDVVWAEKDEPEWMRNGSYLGYRKIQMLIEIWDRSSLLDQEDTFGRKKASGAPYHKKHEHDKVDPSKLPADSHVRLAKDTKQQMHRRAYSYTNGIDKSTGTIDAGLLFICFTQNPAKQFLPMLSIMGKMDKLNEYTVPIGSAMFACQGGLAPGEIFGEKLL |
| Complex: HEM_B_6(4GS1) / Model_27(4GS1/B) = [9.1]
| Download | 469.54 | 36.73 | MTDKKSENQTEKTETKENKGMTRREMLKLSAVAGTGIAVGATGLGTILNVVDQVDKALTPKEKAETGVPFYASNQAGIITAQQTYCYIASFDIQTESRQILQDLFVKWTKFADLTTSGGVLRDVDNDMLPPNDTGEADGLGISNFTVTLGYGPTFFEKDGKDRFGVKAKKPKYLEKIPHMAHDSLDEAYSDGDLCIQVCADDQQVAFHGIRNFIRLASGVAVVRWIEEGFLSAPKNETPRNLFGFKDGTANVDHDSNKGYKDVVWAEKDEPEWMRNGSYLGYRKIQMLIEIWDRSSLLDQEDTFGRKKASGAPYHKKHEHDKVDPSKLPADSHVRLAKDTKQQMHRRAYSYTNGIDKSTGTIDAGLLFICFTQNPAKQFLPMLSIMGKMDKLNEYTVPIGSAMFACQGGLAPGEIFGEKLL |
| Complex: PP9_B_7(2Y4E) / Model_22(2Y4E/B) = [10.9]
| Download | 624.40 | 30.84 | MTDKKSENQTEKTETKENKGMTRREMLKLSAVAGTGIAVGATGLGTILNVVDQVDKALTPKEKAETGVPFYASNQAGIITAQQTYCYIASFDIQTESRQILQDLFVKWTKFADLTTSGGVLRDVDNDMLPPNDTGEADGLGISNFTVTLGYGPTFFEKDGKDRFGVKAKKPKYLEKIPHMAHDSLDEAYSDGDLCIQVCADDQQVAFHGIRNFIRLASGVAVVRWIEEGFLSAPKNETPRNLFGFKDGTANVDHDSNKGYKDVVWAEKDEPEWMRNGSYLGYRKIQMLIEIWDRSSLLDQEDTFGRKKASGAPYHKKHEHDKVDPSKLPADSHVRLAKDTKQQMHRRAYSYTNGIDKSTGTIDAGLLFICFTQNPAKQFLPMLSIMGKMDKLNEYTVPIGSAMFACQGGLAPGEIFGEKLL |
| Complex: PP9_A_3(2Y4E) / Model_4(2Y4E/A) = [11.3]
| Download | 502.89 | 31.91 | MTDKKSENQTEKTETKENKGMTRREMLKLSAVAGTGIAVGATGLGTILNVVDQVDKALTPKEKAETGVPFYASNQAGIITAQQTYCYIASFDIQTESRQILQDLFVKWTKFADLTTSGGVLRDVDNDMLPPNDTGEADGLGISNFTVTLGYGPTFFEKDGKDRFGVKAKKPKYLEKIPHMAHDSLDEAYSDGDLCIQVCADDQQVAFHGIRNFIRLASGVAVVRWIEEGFLSAPKNETPRNLFGFKDGTANVDHDSNKGYKDVVWAEKDEPEWMRNGSYLGYRKIQMLIEIWDRSSLLDQEDTFGRKKASGAPYHKKHEHDKVDPSKLPADSHVRLAKDTKQQMHRRAYSYTNGIDKSTGTIDAGLLFICFTQNPAKQFLPMLSIMGKMDKLNEYTVPIGSAMFACQGGLAPGEIFGEKLL |
Consensus
[pKd Mean = 8.48] | - | 445
(s=127) | 33
(s=2) | MTDKKSENQTEKTETKENKGMTRREMLKLSAVAGTGIAVGATGLGTILNVVDQVDKALTPKEKAETGVPFYASNQAGIITAQQTYCYIASFDIQTESRQILQDLFVKWTKFADLTTSGGVLRDVDNDMLPPNDTGEADGLGISNFTVTLGYGPTFFEKDGKDRFGVKAKKPKYLEKIPHMAHDSLDEAYSDGDLCIQVCADDQQVAFHGIRNFIRLASGVAVVRWIEEGFLSAPKNETPRNLFGFKDGTANVDHDSNKGYKDVVWAEKDEPEWMRNGSYLGYRKIQMLIEIWDRSSLLDQEDTFGRKKASGAPYHKKHEHDKVDPSKLPADSHVRLAKDTKQQMHRRAYSYTNGIDKSTGTIDAGLLFICFTQNPAKQFLPMLSIMGKMDKLNEYTVPIGSAMFACQGGLAPGEIFGEKLL |