| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C1_S1 |
| Complex: GUD_B_6(3ENK) / Model_27(3ENK/B) = [6.4]
| Download | 1339.69 | 31.86 | MRVLVTGGAGFIGSHVLVELLGQGAKVVVLDNLVNGSSESLKRVERITGHPVGFVLGDVRDSLLVERLLIDEKVDAVIHLAGLKAVGESVDDPLEYYESNVQGTISLLRAMQRVGVFKIVFSSSATIYQMPGTLPISESSKVGGVASPYGRTKLTAEHMLDDLARSDTRWSIAVLRYFNPIGAHESGLIGEDPCGTPNNLLPYIAQVAVGRLSRLTVHGGDYPTIDGTGVRDYIHVCDLAAGHTRALEYLGQGHGYHVWNLGTGTGYSVLQVIEAFERVSGRRIPFTVSGRRPGDVAECWADVSKAERELGWKAGLGLECMIADAWRWQVSNPSGYS |
| Complex: GUD_A_4(3ENK) / Model_10(3ENK/A) = [6.6]
| Download | 1431.14 | 33.37 | MRVLVTGGAGFIGSHVLVELLGQGAKVVVLDNLVNGSSESLKRVERITGHPVGFVLGDVRDSLLVERLLIDEKVDAVIHLAGLKAVGESVDDPLEYYESNVQGTISLLRAMQRVGVFKIVFSSSATIYQMPGTLPISESSKVGGVASPYGRTKLTAEHMLDDLARSDTRWSIAVLRYFNPIGAHESGLIGEDPCGTPNNLLPYIAQVAVGRLSRLTVHGGDYPTIDGTGVRDYIHVCDLAAGHTRALEYLGQGHGYHVWNLGTGTGYSVLQVIEAFERVSGRRIPFTVSGRRPGDVAECWADVSKAERELGWKAGLGLECMIADAWRWQVSNPSGYS |
| Complex: GDU_B_4(1I3L) / Model_25(1I3L/B) = [7.1]
| Download | 1381.20 | 29.42 | MRVLVTGGAGFIGSHVLVELLGQGAKVVVLDNLVNGSSESLKRVERITGHPVGFVLGDVRDSLLVERLLIDEKVDAVIHLAGLKAVGESVDDPLEYYESNVQGTISLLRAMQRVGVFKIVFSSSATIYQMPGTLPISESSKVGGVASPYGRTKLTAEHMLDDLARSDTRWSIAVLRYFNPIGAHESGLIGEDPCGTPNNLLPYIAQVAVGRLSRLTVHGGDYPTIDGTGVRDYIHVCDLAAGHTRALEYLGQGHGYHVWNLGTGTGYSVLQVIEAFERVSGRRIPFTVSGRRPGDVAECWADVSKAERELGWKAGLGLECMIADAWRWQVSNPSGYS |
| Complex: GDU_A_3(1I3L) / Model_5(1I3L/A) = [7.2]
| Download | 1318.33 | 30.35 | MRVLVTGGAGFIGSHVLVELLGQGAKVVVLDNLVNGSSESLKRVERITGHPVGFVLGDVRDSLLVERLLIDEKVDAVIHLAGLKAVGESVDDPLEYYESNVQGTISLLRAMQRVGVFKIVFSSSATIYQMPGTLPISESSKVGGVASPYGRTKLTAEHMLDDLARSDTRWSIAVLRYFNPIGAHESGLIGEDPCGTPNNLLPYIAQVAVGRLSRLTVHGGDYPTIDGTGVRDYIHVCDLAAGHTRALEYLGQGHGYHVWNLGTGTGYSVLQVIEAFERVSGRRIPFTVSGRRPGDVAECWADVSKAERELGWKAGLGLECMIADAWRWQVSNPSGYS |
| Complex: NAD_C_3(1EK5) / Model_2(1EK5/A) = [10.6]
| Download | 1182.38 | 15.83 | MRVLVTGGAGFIGSHVLVELLGQGAKVVVLDNLVNGSSESLKRVERITGHPVGFVLGDVRDSLLVERLLIDEKVDAVIHLAGLKAVGESVDDPLEYYESNVQGTISLLRAMQRVGVFKIVFSSSATIYQMPGTLPISESSKVGGVASPYGRTKLTAEHMLDDLARSDTRWSIAVLRYFNPIGAHESGLIGEDPCGTPNNLLPYIAQVAVGRLSRLTVHGGDYPTIDGTGVRDYIHVCDLAAGHTRALEYLGQGHGYHVWNLGTGTGYSVLQVIEAFERVSGRRIPFTVSGRRPGDVAECWADVSKAERELGWKAGLGLECMIADAWRWQVSNPSGYS |
Consensus
[pKd Mean = 7.58] | - | 1330
(s=83) | 28
(s=6) | MRVLVTGGAGFIGSHVLVELLGQGAKVVVLDNLVNGSSESLKRVERITGHPVGFVLGDVRDSLLVERLLIDEKVDAVIHLAGLKAVGESVDDPLEYYESNVQGTISLLRAMQRVGVFKIVFSSSATIYQMPGTLPISESSKVGGVASPYGRTKLTAEHMLDDLARSDTRWSIAVLRYFNPIGAHESGLIGEDPCGTPNNLLPYIAQVAVGRLSRLTVHGGDYPTIDGTGVRDYIHVCDLAAGHTRALEYLGQGHGYHVWNLGTGTGYSVLQVIEAFERVSGRRIPFTVSGRRPGDVAECWADVSKAERELGWKAGLGLECMIADAWRWQVSNPSGYS |