| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C1_S1 |
| Complex: ATP_A_9(1XEF) / Model_94(1XEF/A) = [4.6]
| Download | 1126.52 | -0.24 | MIEFHDVHKTYRVAGREIPALQPTRLNIQAGQIFGLIGHSGAGKSTLLRLINRLEEPSGGRILVEGEDVTALDAEGLRRFRQRVGMIFQHFNLLSSKTVADNIAMPLRLAGGFSRAEVDARVSELLARVGLSDHARKYPAQLSGGQKQRVGIARALACRPSILLCDEATSALDPQTTASVLQLLAEINRELKLTIVLITHEMDVIRRVCDQVAVMDGGAIVEQGDVADVFLHPQHPTTRRFVFEAERVDEDERHDDFAHVPGLILRLTFRGEATYAPLLGTVARQTGVDYSILSGRIDRIKDTPYGQLTLALVGGDLEAAMSQLNAADVHVEVLR |
| Complex: ADP_B_2(2FF7) / Model_78(2FF7/A) = [5.0]
| Download | 610.33 | -2.69 | MIEFHDVHKTYRVAGREIPALQPTRLNIQAGQIFGLIGHSGAGKSTLLRLINRLEEPSGGRILVEGEDVTALDAEGLRRFRQRVGMIFQHFNLLSSKTVADNIAMPLRLAGGFSRAEVDARVSELLARVGLSDHARKYPAQLSGGQKQRVGIARALACRPSILLCDEATSALDPQTTASVLQLLAEINRELKLTIVLITHEMDVIRRVCDQVAVMDGGAIVEQGDVADVFLHPQHPTTRRFVFEAERVDEDERHDDFAHVPGLILRLTFRGEATYAPLLGTVARQTGVDYSILSGRIDRIKDTPYGQLTLALVGGDLEAAMSQLNAADVHVEVLR |
| Complex: ADP_B_2(2FFA) / Model_90(2FFA/A) = [5.0]
| Download | 655.58 | -2.69 | MIEFHDVHKTYRVAGREIPALQPTRLNIQAGQIFGLIGHSGAGKSTLLRLINRLEEPSGGRILVEGEDVTALDAEGLRRFRQRVGMIFQHFNLLSSKTVADNIAMPLRLAGGFSRAEVDARVSELLARVGLSDHARKYPAQLSGGQKQRVGIARALACRPSILLCDEATSALDPQTTASVLQLLAEINRELKLTIVLITHEMDVIRRVCDQVAVMDGGAIVEQGDVADVFLHPQHPTTRRFVFEAERVDEDERHDDFAHVPGLILRLTFRGEATYAPLLGTVARQTGVDYSILSGRIDRIKDTPYGQLTLALVGGDLEAAMSQLNAADVHVEVLR |
| Complex: ADP_B_2(2FFB) / Model_85(2FFB/A) = [5.1]
| Download | 570.31 | 1.67 | MIEFHDVHKTYRVAGREIPALQPTRLNIQAGQIFGLIGHSGAGKSTLLRLINRLEEPSGGRILVEGEDVTALDAEGLRRFRQRVGMIFQHFNLLSSKTVADNIAMPLRLAGGFSRAEVDARVSELLARVGLSDHARKYPAQLSGGQKQRVGIARALACRPSILLCDEATSALDPQTTASVLQLLAEINRELKLTIVLITHEMDVIRRVCDQVAVMDGGAIVEQGDVADVFLHPQHPTTRRFVFEAERVDEDERHDDFAHVPGLILRLTFRGEATYAPLLGTVARQTGVDYSILSGRIDRIKDTPYGQLTLALVGGDLEAAMSQLNAADVHVEVLR |
| Complex: ATP_C_11(1XEF) / Model_92(1XEF/C) = [5.2]
| Download | 743.02 | 3.19 | MIEFHDVHKTYRVAGREIPALQPTRLNIQAGQIFGLIGHSGAGKSTLLRLINRLEEPSGGRILVEGEDVTALDAEGLRRFRQRVGMIFQHFNLLSSKTVADNIAMPLRLAGGFSRAEVDARVSELLARVGLSDHARKYPAQLSGGQKQRVGIARALACRPSILLCDEATSALDPQTTASVLQLLAEINRELKLTIVLITHEMDVIRRVCDQVAVMDGGAIVEQGDVADVFLHPQHPTTRRFVFEAERVDEDERHDDFAHVPGLILRLTFRGEATYAPLLGTVARQTGVDYSILSGRIDRIKDTPYGQLTLALVGGDLEAAMSQLNAADVHVEVLR |
Consensus
[pKd Mean = 4.98] | - | 741
(s=201) | 0
(s=2) | MIEFHDVHKTYRVAGREIPALQPTRLNIQAGQIFGLIGHSGAGKSTLLRLINRLEEPSGGRILVEGEDVTALDAEGLRRFRQRVGMIFQHFNLLSSKTVADNIAMPLRLAGGFSRAEVDARVSELLARVGLSDHARKYPAQLSGGQKQRVGIARALACRPSILLCDEATSALDPQTTASVLQLLAEINRELKLTIVLITHEMDVIRRVCDQVAVMDGGAIVEQGDVADVFLHPQHPTTRRFVFEAERVDEDERHDDFAHVPGLILRLTFRGEATYAPLLGTVARQTGVDYSILSGRIDRIKDTPYGQLTLALVGGDLEAAMSQLNAADVHVEVLR |