| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C2_S1 |
| Complex: AMP_A_3(4UUW) / Model_4(4UUW/A) = [4.1]
| Download | 960.84 | 22.24 | MSIAIIAVGSELLLGQIANTNGQFLSKVFNEIGQNVLEHKVIGDNKKRLESSVRHALEKYDTVILTGGLGPTKDDLTKHTVAQIVGKDLVIDEPSLKYIESYFEEQGQEMTPNNKQQALVIEGSTVLANHHGMAPGMMVNFENKQIILLPGPPKEMQPMVKNELLSHFINHNRIIHSELLRFAGIGESKVETILIDLIDKQTNPTIAPLAGSHEVYIRLTANADSKEQAQSLIQPVKQEILDRIGEYYYGSDDTLIEQAVIKKIHEPFVIYDGITNGALYHRLKEVDLNDVLKGMINHNENFVDINKPIEQQLKDAVQFVNKLFNVSSAIILLEYDGVVHIGYDNNFEFKTEQFKMSKSRNLLKNRSQNYVLIRLLNWLRTTN |
| Complex: AMP_A_3(4CT9) / Model_5(4CT9/A) = [4.5]
| Download | 1264.56 | 25.48 | MSIAIIAVGSELLLGQIANTNGQFLSKVFNEIGQNVLEHKVIGDNKKRLESSVRHALEKYDTVILTGGLGPTKDDLTKHTVAQIVGKDLVIDEPSLKYIESYFEEQGQEMTPNNKQQALVIEGSTVLANHHGMAPGMMVNFENKQIILLPGPPKEMQPMVKNELLSHFINHNRIIHSELLRFAGIGESKVETILIDLIDKQTNPTIAPLAGSHEVYIRLTANADSKEQAQSLIQPVKQEILDRIGEYYYGSDDTLIEQAVIKKIHEPFVIYDGITNGALYHRLKEVDLNDVLKGMINHNENFVDINKPIEQQLKDAVQFVNKLFNVSSAIILLEYDGVVHIGYDNNFEFKTEQFKMSKSRNLLKNRSQNYVLIRLLNWLRTTN |
| Complex: ATP_A_3(4CTA) / Model_1(4CTA/A) = [4.9]
| Download | 1134.34 | 23.43 | MSIAIIAVGSELLLGQIANTNGQFLSKVFNEIGQNVLEHKVIGDNKKRLESSVRHALEKYDTVILTGGLGPTKDDLTKHTVAQIVGKDLVIDEPSLKYIESYFEEQGQEMTPNNKQQALVIEGSTVLANHHGMAPGMMVNFENKQIILLPGPPKEMQPMVKNELLSHFINHNRIIHSELLRFAGIGESKVETILIDLIDKQTNPTIAPLAGSHEVYIRLTANADSKEQAQSLIQPVKQEILDRIGEYYYGSDDTLIEQAVIKKIHEPFVIYDGITNGALYHRLKEVDLNDVLKGMINHNENFVDINKPIEQQLKDAVQFVNKLFNVSSAIILLEYDGVVHIGYDNNFEFKTEQFKMSKSRNLLKNRSQNYVLIRLLNWLRTTN |
| Complex: APR_A_3(4UUX) / Model_6(4UUX/A) = [8.0]
| Download | 1240.82 | 24.10 | MSIAIIAVGSELLLGQIANTNGQFLSKVFNEIGQNVLEHKVIGDNKKRLESSVRHALEKYDTVILTGGLGPTKDDLTKHTVAQIVGKDLVIDEPSLKYIESYFEEQGQEMTPNNKQQALVIEGSTVLANHHGMAPGMMVNFENKQIILLPGPPKEMQPMVKNELLSHFINHNRIIHSELLRFAGIGESKVETILIDLIDKQTNPTIAPLAGSHEVYIRLTANADSKEQAQSLIQPVKQEILDRIGEYYYGSDDTLIEQAVIKKIHEPFVIYDGITNGALYHRLKEVDLNDVLKGMINHNENFVDINKPIEQQLKDAVQFVNKLFNVSSAIILLEYDGVVHIGYDNNFEFKTEQFKMSKSRNLLKNRSQNYVLIRLLNWLRTTN |
Consensus
[pKd Mean = 5.38] | - | 1150
(s=119) | 23
(s=1) | MSIAIIAVGSELLLGQIANTNGQFLSKVFNEIGQNVLEHKVIGDNKKRLESSVRHALEKYDTVILTGGLGPTKDDLTKHTVAQIVGKDLVIDEPSLKYIESYFEEQGQEMTPNNKQQALVIEGSTVLANHHGMAPGMMVNFENKQIILLPGPPKEMQPMVKNELLSHFINHNRIIHSELLRFAGIGESKVETILIDLIDKQTNPTIAPLAGSHEVYIRLTANADSKEQAQSLIQPVKQEILDRIGEYYYGSDDTLIEQAVIKKIHEPFVIYDGITNGALYHRLKEVDLNDVLKGMINHNENFVDINKPIEQQLKDAVQFVNKLFNVSSAIILLEYDGVVHIGYDNNFEFKTEQFKMSKSRNLLKNRSQNYVLIRLLNWLRTTN |