| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C1_S1 |
| Complex: ATP_A_5(1B0U) / Model_87(1B0U/A) = [4.4]
| Download | 612.17 | 7.67 | MIQLSNVRKSYQIGKETFDVLHSIDLDIHQGEYVSIMGPSGSGKSTIMNIIGCLDRPTSGTYQLDGEDISSYKDKELAAVRNRSIGFVFQQFQLLPRLNAKKNVELPMIYSGIGKKERQERAERALEKVGLADRMLHMPNELSGGQKQRVAIARAIVNEPKLILADEPTGALDTKTSEAIMDQFTALNAEGTTIVLVTHEPEVADCTNRIVMVRDGNIVPASSGQRSVGE |
| Complex: ATP_A_2(3NH9) / Model_94(3NH9/A) = [6.1]
| Download | 1389.59 | 18.60 | MIQLSNVRKSYQIGKETFDVLHSIDLDIHQGEYVSIMGPSGSGKSTIMNIIGCLDRPTSGTYQLDGEDISSYKDKELAAVRNRSIGFVFQQFQLLPRLNAKKNVELPMIYSGIGKKERQERAERALEKVGLADRMLHMPNELSGGQKQRVAIARAIVNEPKLILADEPTGALDTKTSEAIMDQFTALNAEGTTIVLVTHEPEVADCTNRIVMVRDGNIVPASSGQRSVGE |
| Complex: ADP_A_2(3NHB) / Model_92(3NHB/A) = [6.5]
| Download | 672.66 | 9.00 | MIQLSNVRKSYQIGKETFDVLHSIDLDIHQGEYVSIMGPSGSGKSTIMNIIGCLDRPTSGTYQLDGEDISSYKDKELAAVRNRSIGFVFQQFQLLPRLNAKKNVELPMIYSGIGKKERQERAERALEKVGLADRMLHMPNELSGGQKQRVAIARAIVNEPKLILADEPTGALDTKTSEAIMDQFTALNAEGTTIVLVTHEPEVADCTNRIVMVRDGNIVPASSGQRSVGE |
| Complex: ADP_A_3(3NHA) / Model_93(3NHA/A) = [6.5]
| Download | 1271.42 | 10.62 | MIQLSNVRKSYQIGKETFDVLHSIDLDIHQGEYVSIMGPSGSGKSTIMNIIGCLDRPTSGTYQLDGEDISSYKDKELAAVRNRSIGFVFQQFQLLPRLNAKKNVELPMIYSGIGKKERQERAERALEKVGLADRMLHMPNELSGGQKQRVAIARAIVNEPKLILADEPTGALDTKTSEAIMDQFTALNAEGTTIVLVTHEPEVADCTNRIVMVRDGNIVPASSGQRSVGE |
| Complex: ATP_A_3(3FVQ) / Model_112(3FVQ/A) = [7.6]
| Download | 1323.11 | 18.95 | MIQLSNVRKSYQIGKETFDVLHSIDLDIHQGEYVSIMGPSGSGKSTIMNIIGCLDRPTSGTYQLDGEDISSYKDKELAAVRNRSIGFVFQQFQLLPRLNAKKNVELPMIYSGIGKKERQERAERALEKVGLADRMLHMPNELSGGQKQRVAIARAIVNEPKLILADEPTGALDTKTSEAIMDQFTALNAEGTTIVLVTHEPEVADCTNRIVMVRDGNIVPASSGQRSVGE |
Consensus
[pKd Mean = 6.22] | - | 1053
(s=338) | 12
(s=4) | MIQLSNVRKSYQIGKETFDVLHSIDLDIHQGEYVSIMGPSGSGKSTIMNIIGCLDRPTSGTYQLDGEDISSYKDKELAAVRNRSIGFVFQQFQLLPRLNAKKNVELPMIYSGIGKKERQERAERALEKVGLADRMLHMPNELSGGQKQRVAIARAIVNEPKLILADEPTGALDTKTSEAIMDQFTALNAEGTTIVLVTHEPEVADCTNRIVMVRDGNIVPASSGQRSVGE |