| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C3_S1 |
| Complex: 1PE_A_5(3ETC) / Model_1(3ETC/A) = [3.2]
| Download | 858.78 | 32.96 | MNSENLIAPELYNITDEIAKFSSEKTALIWKNEHGETKTWSYHHLLEQANKFANVAKDAGIKKGDHVIVMTPRLLETYAIYMGLWKAGAIIIPASELLKAHDLEYRIHHANVKAIVSYNGMTAEFDKIESIPSVSKKIIVGDKLSGWEQYETLMEAAPTEFERVETSRDDACLLAFTSGTTGNPKGVVHIHGWGYAHIRIAADHWLDIHEDDIVWATAGPGWQKWVWSPFLSVLGKGATGFIYNGRFIPEKQLHLLEEEKINVLCCTPTEYRLMAKVNNLREHDLSSLRSAVSAGEPLNREVIQVFRDNFDIKVRDGYGQTESTLLIGTLVDTPIRPGSMGKPIMPEYMAIIDADGNPVGVGEIGDIAMRRDFPALFKEYYKEPERLQKAIRGDYFVSGDRAIRDEDNYYWFQGRNDDIIISSGYTIGPFEVEDALTHHPAVKEVAVVASPDEIRGTVVKAFIVVKDGYKGTDDLVHELQTFTKEQTAPYKYPRRIEFVEALPKTDSGKIRRVELRDAEFASVHG |
| Complex: GOL_B_21(3ETC) / Model_21(3ETC/B) = [3.4]
| Download | 375.97 | 15.21 | MNSENLIAPELYNITDEIAKFSSEKTALIWKNEHGETKTWSYHHLLEQANKFANVAKDAGIKKGDHVIVMTPRLLETYAIYMGLWKAGAIIIPASELLKAHDLEYRIHHANVKAIVSYNGMTAEFDKIESIPSVSKKIIVGDKLSGWEQYETLMEAAPTEFERVETSRDDACLLAFTSGTTGNPKGVVHIHGWGYAHIRIAADHWLDIHEDDIVWATAGPGWQKWVWSPFLSVLGKGATGFIYNGRFIPEKQLHLLEEEKINVLCCTPTEYRLMAKVNNLREHDLSSLRSAVSAGEPLNREVIQVFRDNFDIKVRDGYGQTESTLLIGTLVDTPIRPGSMGKPIMPEYMAIIDADGNPVGVGEIGDIAMRRDFPALFKEYYKEPERLQKAIRGDYFVSGDRAIRDEDNYYWFQGRNDDIIISSGYTIGPFEVEDALTHHPAVKEVAVVASPDEIRGTVVKAFIVVKDGYKGTDDLVHELQTFTKEQTAPYKYPRRIEFVEALPKTDSGKIRRVELRDAEFASVHG |
| Complex: GOL_B_23(3ETC) / Model_21(3ETC/B) = [4.2]
| Download | 489.11 | 5.94 | MNSENLIAPELYNITDEIAKFSSEKTALIWKNEHGETKTWSYHHLLEQANKFANVAKDAGIKKGDHVIVMTPRLLETYAIYMGLWKAGAIIIPASELLKAHDLEYRIHHANVKAIVSYNGMTAEFDKIESIPSVSKKIIVGDKLSGWEQYETLMEAAPTEFERVETSRDDACLLAFTSGTTGNPKGVVHIHGWGYAHIRIAADHWLDIHEDDIVWATAGPGWQKWVWSPFLSVLGKGATGFIYNGRFIPEKQLHLLEEEKINVLCCTPTEYRLMAKVNNLREHDLSSLRSAVSAGEPLNREVIQVFRDNFDIKVRDGYGQTESTLLIGTLVDTPIRPGSMGKPIMPEYMAIIDADGNPVGVGEIGDIAMRRDFPALFKEYYKEPERLQKAIRGDYFVSGDRAIRDEDNYYWFQGRNDDIIISSGYTIGPFEVEDALTHHPAVKEVAVVASPDEIRGTVVKAFIVVKDGYKGTDDLVHELQTFTKEQTAPYKYPRRIEFVEALPKTDSGKIRRVELRDAEFASVHG |
| Complex: AMP_B_5(3EQ6) / Model_23(3EQ6/B) = [5.5]
| Download | 809.84 | 20.66 | MNSENLIAPELYNITDEIAKFSSEKTALIWKNEHGETKTWSYHHLLEQANKFANVAKDAGIKKGDHVIVMTPRLLETYAIYMGLWKAGAIIIPASELLKAHDLEYRIHHANVKAIVSYNGMTAEFDKIESIPSVSKKIIVGDKLSGWEQYETLMEAAPTEFERVETSRDDACLLAFTSGTTGNPKGVVHIHGWGYAHIRIAADHWLDIHEDDIVWATAGPGWQKWVWSPFLSVLGKGATGFIYNGRFIPEKQLHLLEEEKINVLCCTPTEYRLMAKVNNLREHDLSSLRSAVSAGEPLNREVIQVFRDNFDIKVRDGYGQTESTLLIGTLVDTPIRPGSMGKPIMPEYMAIIDADGNPVGVGEIGDIAMRRDFPALFKEYYKEPERLQKAIRGDYFVSGDRAIRDEDNYYWFQGRNDDIIISSGYTIGPFEVEDALTHHPAVKEVAVVASPDEIRGTVVKAFIVVKDGYKGTDDLVHELQTFTKEQTAPYKYPRRIEFVEALPKTDSGKIRRVELRDAEFASVHG |
| Complex: AMP_A_3(3EQ6) / Model_6(3EQ6/A) = [5.8]
| Download | 892.23 | 20.66 | MNSENLIAPELYNITDEIAKFSSEKTALIWKNEHGETKTWSYHHLLEQANKFANVAKDAGIKKGDHVIVMTPRLLETYAIYMGLWKAGAIIIPASELLKAHDLEYRIHHANVKAIVSYNGMTAEFDKIESIPSVSKKIIVGDKLSGWEQYETLMEAAPTEFERVETSRDDACLLAFTSGTTGNPKGVVHIHGWGYAHIRIAADHWLDIHEDDIVWATAGPGWQKWVWSPFLSVLGKGATGFIYNGRFIPEKQLHLLEEEKINVLCCTPTEYRLMAKVNNLREHDLSSLRSAVSAGEPLNREVIQVFRDNFDIKVRDGYGQTESTLLIGTLVDTPIRPGSMGKPIMPEYMAIIDADGNPVGVGEIGDIAMRRDFPALFKEYYKEPERLQKAIRGDYFVSGDRAIRDEDNYYWFQGRNDDIIISSGYTIGPFEVEDALTHHPAVKEVAVVASPDEIRGTVVKAFIVVKDGYKGTDDLVHELQTFTKEQTAPYKYPRRIEFVEALPKTDSGKIRRVELRDAEFASVHG |
Consensus
[pKd Mean = 4.42] | - | 685
(s=210) | 19
(s=8) | MNSENLIAPELYNITDEIAKFSSEKTALIWKNEHGETKTWSYHHLLEQANKFANVAKDAGIKKGDHVIVMTPRLLETYAIYMGLWKAGAIIIPASELLKAHDLEYRIHHANVKAIVSYNGMTAEFDKIESIPSVSKKIIVGDKLSGWEQYETLMEAAPTEFERVETSRDDACLLAFTSGTTGNPKGVVHIHGWGYAHIRIAADHWLDIHEDDIVWATAGPGWQKWVWSPFLSVLGKGATGFIYNGRFIPEKQLHLLEEEKINVLCCTPTEYRLMAKVNNLREHDLSSLRSAVSAGEPLNREVIQVFRDNFDIKVRDGYGQTESTLLIGTLVDTPIRPGSMGKPIMPEYMAIIDADGNPVGVGEIGDIAMRRDFPALFKEYYKEPERLQKAIRGDYFVSGDRAIRDEDNYYWFQGRNDDIIISSGYTIGPFEVEDALTHHPAVKEVAVVASPDEIRGTVVKAFIVVKDGYKGTDDLVHELQTFTKEQTAPYKYPRRIEFVEALPKTDSGKIRRVELRDAEFASVHG |