| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C3_S1 |
| Complex: 13P_A_3(3BXE) / Model_23(3BXE/A) = [3.7]
| Download | 330.18 | 11.95 | MKDLLQAQQKLIPDLIDKMYKRFSILTTISKNQPVGRRSLSEHMDMTERVLRSETDMLKKQDLIKVKPTGMEITAEGEQLISQLKGYFDIYADDNRLSEGIKNKFQIKEVHVVPGDADNSQSVKTELGRQAGQLLEGILQEDAIVAVTGGSTMACVSEAIHLLPYNVFFVPARGGLGENVVFQANTIAASMAQQAGGYYTTMYVPDNVSETTYNTLLLEPSVINTLDKIKQANVILHGIGDALKMAHRRQSPEKVIEQLQHHQAVGEAFGYYFDTQGQIVHKVKTIGLQLEDLESKDFIFAVAGGKSKGEAIKAYLTIAPKNTVLITDEAAAKIILE |
| Complex: 13P_B_4(3BXE) / Model_45(3BXE/B) = [3.9]
| Download | 387.72 | 11.95 | MKDLLQAQQKLIPDLIDKMYKRFSILTTISKNQPVGRRSLSEHMDMTERVLRSETDMLKKQDLIKVKPTGMEITAEGEQLISQLKGYFDIYADDNRLSEGIKNKFQIKEVHVVPGDADNSQSVKTELGRQAGQLLEGILQEDAIVAVTGGSTMACVSEAIHLLPYNVFFVPARGGLGENVVFQANTIAASMAQQAGGYYTTMYVPDNVSETTYNTLLLEPSVINTLDKIKQANVILHGIGDALKMAHRRQSPEKVIEQLQHHQAVGEAFGYYFDTQGQIVHKVKTIGLQLEDLESKDFIFAVAGGKSKGEAIKAYLTIAPKNTVLITDEAAAKIILE |
| Complex: 13P_B_8(3BXF) / Model_44(3BXF/B) = [4.0]
| Download | 349.74 | 15.09 | MKDLLQAQQKLIPDLIDKMYKRFSILTTISKNQPVGRRSLSEHMDMTERVLRSETDMLKKQDLIKVKPTGMEITAEGEQLISQLKGYFDIYADDNRLSEGIKNKFQIKEVHVVPGDADNSQSVKTELGRQAGQLLEGILQEDAIVAVTGGSTMACVSEAIHLLPYNVFFVPARGGLGENVVFQANTIAASMAQQAGGYYTTMYVPDNVSETTYNTLLLEPSVINTLDKIKQANVILHGIGDALKMAHRRQSPEKVIEQLQHHQAVGEAFGYYFDTQGQIVHKVKTIGLQLEDLESKDFIFAVAGGKSKGEAIKAYLTIAPKNTVLITDEAAAKIILE |
| Complex: BG6_A_3(3BXG) / Model_25(3BXG/A) = [5.1]
| Download | 393.70 | 14.32 | MKDLLQAQQKLIPDLIDKMYKRFSILTTISKNQPVGRRSLSEHMDMTERVLRSETDMLKKQDLIKVKPTGMEITAEGEQLISQLKGYFDIYADDNRLSEGIKNKFQIKEVHVVPGDADNSQSVKTELGRQAGQLLEGILQEDAIVAVTGGSTMACVSEAIHLLPYNVFFVPARGGLGENVVFQANTIAASMAQQAGGYYTTMYVPDNVSETTYNTLLLEPSVINTLDKIKQANVILHGIGDALKMAHRRQSPEKVIEQLQHHQAVGEAFGYYFDTQGQIVHKVKTIGLQLEDLESKDFIFAVAGGKSKGEAIKAYLTIAPKNTVLITDEAAAKIILE |
| Complex: BG6_B_4(3BXG) / Model_43(3BXG/B) = [5.4]
| Download | 481.78 | 16.83 | MKDLLQAQQKLIPDLIDKMYKRFSILTTISKNQPVGRRSLSEHMDMTERVLRSETDMLKKQDLIKVKPTGMEITAEGEQLISQLKGYFDIYADDNRLSEGIKNKFQIKEVHVVPGDADNSQSVKTELGRQAGQLLEGILQEDAIVAVTGGSTMACVSEAIHLLPYNVFFVPARGGLGENVVFQANTIAASMAQQAGGYYTTMYVPDNVSETTYNTLLLEPSVINTLDKIKQANVILHGIGDALKMAHRRQSPEKVIEQLQHHQAVGEAFGYYFDTQGQIVHKVKTIGLQLEDLESKDFIFAVAGGKSKGEAIKAYLTIAPKNTVLITDEAAAKIILE |
Consensus
[pKd Mean = 4.42] | - | 388
(s=52) | 14
(s=1) | MKDLLQAQQKLIPDLIDKMYKRFSILTTISKNQPVGRRSLSEHMDMTERVLRSETDMLKKQDLIKVKPTGMEITAEGEQLISQLKGYFDIYADDNRLSEGIKNKFQIKEVHVVPGDADNSQSVKTELGRQAGQLLEGILQEDAIVAVTGGSTMACVSEAIHLLPYNVFFVPARGGLGENVVFQANTIAASMAQQAGGYYTTMYVPDNVSETTYNTLLLEPSVINTLDKIKQANVILHGIGDALKMAHRRQSPEKVIEQLQHHQAVGEAFGYYFDTQGQIVHKVKTIGLQLEDLESKDFIFAVAGGKSKGEAIKAYLTIAPKNTVLITDEAAAKIILE |