| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C1_S1 |
| Complex: ADP_A_5(2Q0H) / Model_62(2Q0H/A) = [3.4]
| Download | 445.21 | 0.54 | MASVSFEQATRRYPGTDRPALDRLDLIVGDGEFVVLVGPSGCGKTTSLRMVAGLETLDCGRIRIGERDVTEVDPKDRDVAMVFQNYALYPHMTVAQNMGFALKVAKIGKAEIRERVLAAAKLLDLQSYLDRKPKDLSGGQRQRVAMGRAIVRRPQVFLMDEPLSNLDAKLRGQTRNQIAALQRQLGTTTVYVTHDQVEAMTMGDRVAVLSDGVLQQCASPRELYRNPGNVFVAGFIGSPAMNLFRLSIADSTVSLGDWQILLPRAVVGTAAEVIIGVRPEHLELGGAGIEMDVDMVEELGADAYLYGRIVSGGCEMDQSIVARVDGRGPPERGSRVRLCPTPGHLHFFAVDGRRIPG |
| Complex: ADP_B_6(2Q0H) / Model_61(2Q0H/B) = [3.6]
| Download | 1106.35 | -2.07 | MASVSFEQATRRYPGTDRPALDRLDLIVGDGEFVVLVGPSGCGKTTSLRMVAGLETLDCGRIRIGERDVTEVDPKDRDVAMVFQNYALYPHMTVAQNMGFALKVAKIGKAEIRERVLAAAKLLDLQSYLDRKPKDLSGGQRQRVAMGRAIVRRPQVFLMDEPLSNLDAKLRGQTRNQIAALQRQLGTTTVYVTHDQVEAMTMGDRVAVLSDGVLQQCASPRELYRNPGNVFVAGFIGSPAMNLFRLSIADSTVSLGDWQILLPRAVVGTAAEVIIGVRPEHLELGGAGIEMDVDMVEELGADAYLYGRIVSGGCEMDQSIVARVDGRGPPERGSRVRLCPTPGHLHFFAVDGRRIPG |
| Complex: AT4_B_6(2OLK) / Model_69(2OLK/B) = [3.7]
| Download | 676.60 | 7.43 | MASVSFEQATRRYPGTDRPALDRLDLIVGDGEFVVLVGPSGCGKTTSLRMVAGLETLDCGRIRIGERDVTEVDPKDRDVAMVFQNYALYPHMTVAQNMGFALKVAKIGKAEIRERVLAAAKLLDLQSYLDRKPKDLSGGQRQRVAMGRAIVRRPQVFLMDEPLSNLDAKLRGQTRNQIAALQRQLGTTTVYVTHDQVEAMTMGDRVAVLSDGVLQQCASPRELYRNPGNVFVAGFIGSPAMNLFRLSIADSTVSLGDWQILLPRAVVGTAAEVIIGVRPEHLELGGAGIEMDVDMVEELGADAYLYGRIVSGGCEMDQSIVARVDGRGPPERGSRVRLCPTPGHLHFFAVDGRRIPG |
| Complex: ATP_A_5(1B0U) / Model_94(1B0U/A) = [3.7]
| Download | 811.39 | 10.92 | MASVSFEQATRRYPGTDRPALDRLDLIVGDGEFVVLVGPSGCGKTTSLRMVAGLETLDCGRIRIGERDVTEVDPKDRDVAMVFQNYALYPHMTVAQNMGFALKVAKIGKAEIRERVLAAAKLLDLQSYLDRKPKDLSGGQRQRVAMGRAIVRRPQVFLMDEPLSNLDAKLRGQTRNQIAALQRQLGTTTVYVTHDQVEAMTMGDRVAVLSDGVLQQCASPRELYRNPGNVFVAGFIGSPAMNLFRLSIADSTVSLGDWQILLPRAVVGTAAEVIIGVRPEHLELGGAGIEMDVDMVEELGADAYLYGRIVSGGCEMDQSIVARVDGRGPPERGSRVRLCPTPGHLHFFAVDGRRIPG |
| Complex: ADP_B_6(2OLJ) / Model_71(2OLJ/B) = [3.8]
| Download | 801.67 | -0.21 | MASVSFEQATRRYPGTDRPALDRLDLIVGDGEFVVLVGPSGCGKTTSLRMVAGLETLDCGRIRIGERDVTEVDPKDRDVAMVFQNYALYPHMTVAQNMGFALKVAKIGKAEIRERVLAAAKLLDLQSYLDRKPKDLSGGQRQRVAMGRAIVRRPQVFLMDEPLSNLDAKLRGQTRNQIAALQRQLGTTTVYVTHDQVEAMTMGDRVAVLSDGVLQQCASPRELYRNPGNVFVAGFIGSPAMNLFRLSIADSTVSLGDWQILLPRAVVGTAAEVIIGVRPEHLELGGAGIEMDVDMVEELGADAYLYGRIVSGGCEMDQSIVARVDGRGPPERGSRVRLCPTPGHLHFFAVDGRRIPG |
Consensus
[pKd Mean = 3.64] | - | 768
(s=214) | 3
(s=4) | MASVSFEQATRRYPGTDRPALDRLDLIVGDGEFVVLVGPSGCGKTTSLRMVAGLETLDCGRIRIGERDVTEVDPKDRDVAMVFQNYALYPHMTVAQNMGFALKVAKIGKAEIRERVLAAAKLLDLQSYLDRKPKDLSGGQRQRVAMGRAIVRRPQVFLMDEPLSNLDAKLRGQTRNQIAALQRQLGTTTVYVTHDQVEAMTMGDRVAVLSDGVLQQCASPRELYRNPGNVFVAGFIGSPAMNLFRLSIADSTVSLGDWQILLPRAVVGTAAEVIIGVRPEHLELGGAGIEMDVDMVEELGADAYLYGRIVSGGCEMDQSIVARVDGRGPPERGSRVRLCPTPGHLHFFAVDGRRIPG |