| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C2_S1 |
| Complex: SAH_D_4(1PJT) / Model_3(1PJT/A) = [5.8]
| Download | 880.34 | 33.38 | MIMKNGIVYFVGAGPGDPGLLTIKGKQALKEADVILYDRLANPKLLEFASPDCQFIYCGKLPNRHFMKQKEINALLVEKALNGLTVVRLKGGDPSVFGRVGEEADALHEHGIRYEMVPGITSGIAAPLYAGIPVTHRDFASSFAMITAHDKSLKGTPNLDWEGLARSVQTLVFYMGVKNLSYICQQLISYGKSPSVPVIVIQWGTWGRQRSVKGTLENIQQKVQEHQITNPAIIVIGDIVNFQTHSWFESKPLIGRHLMVVTHGEDEDPLADKLRDSGADLIEWPKWRTENMPVNEEILRKIGTFEDVFFTSRRAVCEFFRALASQKIDIRQLTAKLSAASEQAKTELEKRGFLVTAIQPDSEKRLVVGSRHAVENMQKHESCSFYITHENVIDDRFTHMIQRTISESPLHMVICPNKLSVQQLINGGEQIGILPEPSASRPPIVCIGDDSAAGIYGFTAVQEQDELLAFIHNQHAEKKLLHT |
| Complex: SAH_A_2(2YBO) / Model_4(2YBO/A) = [7.0]
| Download | 706.44 | 29.52 | MIMKNGIVYFVGAGPGDPGLLTIKGKQALKEADVILYDRLANPKLLEFASPDCQFIYCGKLPNRHFMKQKEINALLVEKALNGLTVVRLKGGDPSVFGRVGEEADALHEHGIRYEMVPGITSGIAAPLYAGIPVTHRDFASSFAMITAHDKSLKGTPNLDWEGLARSVQTLVFYMGVKNLSYICQQLISYGKSPSVPVIVIQWGTWGRQRSVKGTLENIQQKVQEHQITNPAIIVIGDIVNFQTHSWFESKPLIGRHLMVVTHGEDEDPLADKLRDSGADLIEWPKWRTENMPVNEEILRKIGTFEDVFFTSRRAVCEFFRALASQKIDIRQLTAKLSAASEQAKTELEKRGFLVTAIQPDSEKRLVVGSRHAVENMQKHESCSFYITHENVIDDRFTHMIQRTISESPLHMVICPNKLSVQQLINGGEQIGILPEPSASRPPIVCIGDDSAAGIYGFTAVQEQDELLAFIHNQHAEKKLLHT |
| Complex: SAH_A_2(2YBO) / Model_52(2YBO/A) = [7.0]
| Download | 686.02 | 29.52 | MIMKNGIVYFVGAGPGDPGLLTIKGKQALKEADVILYDRLANPKLLEFASPDCQFIYCGKLPNRHFMKQKEINALLVEKALNGLTVVRLKGGDPSVFGRVGEEADALHEHGIRYEMVPGITSGIAAPLYAGIPVTHRDFASSFAMITAHDKSLKGTPNLDWEGLARSVQTLVFYMGVKNLSYICQQLISYGKSPSVPVIVIQWGTWGRQRSVKGTLENIQQKVQEHQITNPAIIVIGDIVNFQTHSWFESKPLIGRHLMVVTHGEDEDPLADKLRDSGADLIEWPKWRTENMPVNEEILRKIGTFEDVFFTSRRAVCEFFRALASQKIDIRQLTAKLSAASEQAKTELEKRGFLVTAIQPDSEKRLVVGSRHAVENMQKHESCSFYITHENVIDDRFTHMIQRTISESPLHMVICPNKLSVQQLINGGEQIGILPEPSASRPPIVCIGDDSAAGIYGFTAVQEQDELLAFIHNQHAEKKLLHT |
| Complex: SAH_E_5(1V9A) / Model_8(1V9A/A) = [7.4]
| Download | 799.39 | 27.21 | MIMKNGIVYFVGAGPGDPGLLTIKGKQALKEADVILYDRLANPKLLEFASPDCQFIYCGKLPNRHFMKQKEINALLVEKALNGLTVVRLKGGDPSVFGRVGEEADALHEHGIRYEMVPGITSGIAAPLYAGIPVTHRDFASSFAMITAHDKSLKGTPNLDWEGLARSVQTLVFYMGVKNLSYICQQLISYGKSPSVPVIVIQWGTWGRQRSVKGTLENIQQKVQEHQITNPAIIVIGDIVNFQTHSWFESKPLIGRHLMVVTHGEDEDPLADKLRDSGADLIEWPKWRTENMPVNEEILRKIGTFEDVFFTSRRAVCEFFRALASQKIDIRQLTAKLSAASEQAKTELEKRGFLVTAIQPDSEKRLVVGSRHAVENMQKHESCSFYITHENVIDDRFTHMIQRTISESPLHMVICPNKLSVQQLINGGEQIGILPEPSASRPPIVCIGDDSAAGIYGFTAVQEQDELLAFIHNQHAEKKLLHT |
| Complex: SAH_F_6(1V9A) / Model_36(1V9A/B) = [7.5]
| Download | 867.19 | 27.71 | MIMKNGIVYFVGAGPGDPGLLTIKGKQALKEADVILYDRLANPKLLEFASPDCQFIYCGKLPNRHFMKQKEINALLVEKALNGLTVVRLKGGDPSVFGRVGEEADALHEHGIRYEMVPGITSGIAAPLYAGIPVTHRDFASSFAMITAHDKSLKGTPNLDWEGLARSVQTLVFYMGVKNLSYICQQLISYGKSPSVPVIVIQWGTWGRQRSVKGTLENIQQKVQEHQITNPAIIVIGDIVNFQTHSWFESKPLIGRHLMVVTHGEDEDPLADKLRDSGADLIEWPKWRTENMPVNEEILRKIGTFEDVFFTSRRAVCEFFRALASQKIDIRQLTAKLSAASEQAKTELEKRGFLVTAIQPDSEKRLVVGSRHAVENMQKHESCSFYITHENVIDDRFTHMIQRTISESPLHMVICPNKLSVQQLINGGEQIGILPEPSASRPPIVCIGDDSAAGIYGFTAVQEQDELLAFIHNQHAEKKLLHT |
Consensus
[pKd Mean = 6.94] | - | 787
(s=79) | 29
(s=2) | MIMKNGIVYFVGAGPGDPGLLTIKGKQALKEADVILYDRLANPKLLEFASPDCQFIYCGKLPNRHFMKQKEINALLVEKALNGLTVVRLKGGDPSVFGRVGEEADALHEHGIRYEMVPGITSGIAAPLYAGIPVTHRDFASSFAMITAHDKSLKGTPNLDWEGLARSVQTLVFYMGVKNLSYICQQLISYGKSPSVPVIVIQWGTWGRQRSVKGTLENIQQKVQEHQITNPAIIVIGDIVNFQTHSWFESKPLIGRHLMVVTHGEDEDPLADKLRDSGADLIEWPKWRTENMPVNEEILRKIGTFEDVFFTSRRAVCEFFRALASQKIDIRQLTAKLSAASEQAKTELEKRGFLVTAIQPDSEKRLVVGSRHAVENMQKHESCSFYITHENVIDDRFTHMIQRTISESPLHMVICPNKLSVQQLINGGEQIGILPEPSASRPPIVCIGDDSAAGIYGFTAVQEQDELLAFIHNQHAEKKLLHT |