| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C2_S1 |
| Complex: CIT_D_14(3ITJ) / Model_25(3ITJ/D) = [3.1]
| Download | 1151.02 | 5.44 | MSEVKHSRLIILGSGPAGYTAAVYAARANLKPVVITGIQPGGQLTTTTEVDNWPGDVEGLTGPALMTRMQQHAERFDTEIVYDHIHTAELQQRPFTLKGDSGTYTCDALIIATGASAQYLGMSSEEAFMGKGVSACATCDGFFYRNQVVCVVGGGNTAVEEALYLANIAKEVHLIHRRDKLRSEKILQDKLFDKAENGNVHLHWNTTLDEVLGDASGVTGVRLKSTIDGSTSELSLAGVFIAIGHKPNTDLFQGQLEMRDGYLRIHGGSEGNATQTSIEGVFAAGDVADHVYRQAITSAGAGCMAALDAEKYLDDH |
| Complex: ACY_B_9(3F8P) / Model_50(3F8P/B) = [3.7]
| Download | 269.93 | 33.00 | MSEVKHSRLIILGSGPAGYTAAVYAARANLKPVVITGIQPGGQLTTTTEVDNWPGDVEGLTGPALMTRMQQHAERFDTEIVYDHIHTAELQQRPFTLKGDSGTYTCDALIIATGASAQYLGMSSEEAFMGKGVSACATCDGFFYRNQVVCVVGGGNTAVEEALYLANIAKEVHLIHRRDKLRSEKILQDKLFDKAENGNVHLHWNTTLDEVLGDASGVTGVRLKSTIDGSTSELSLAGVFIAIGHKPNTDLFQGQLEMRDGYLRIHGGSEGNATQTSIEGVFAAGDVADHVYRQAITSAGAGCMAALDAEKYLDDH |
| Complex: CIT_C_12(3ITJ) / Model_26(3ITJ/C) = [3.8]
| Download | 740.29 | 0.79 | MSEVKHSRLIILGSGPAGYTAAVYAARANLKPVVITGIQPGGQLTTTTEVDNWPGDVEGLTGPALMTRMQQHAERFDTEIVYDHIHTAELQQRPFTLKGDSGTYTCDALIIATGASAQYLGMSSEEAFMGKGVSACATCDGFFYRNQVVCVVGGGNTAVEEALYLANIAKEVHLIHRRDKLRSEKILQDKLFDKAENGNVHLHWNTTLDEVLGDASGVTGVRLKSTIDGSTSELSLAGVFIAIGHKPNTDLFQGQLEMRDGYLRIHGGSEGNATQTSIEGVFAAGDVADHVYRQAITSAGAGCMAALDAEKYLDDH |
| Complex: ACY_B_8(3F8D) / Model_54(3F8D/B) = [3.9]
| Download | 254.59 | 32.38 | MSEVKHSRLIILGSGPAGYTAAVYAARANLKPVVITGIQPGGQLTTTTEVDNWPGDVEGLTGPALMTRMQQHAERFDTEIVYDHIHTAELQQRPFTLKGDSGTYTCDALIIATGASAQYLGMSSEEAFMGKGVSACATCDGFFYRNQVVCVVGGGNTAVEEALYLANIAKEVHLIHRRDKLRSEKILQDKLFDKAENGNVHLHWNTTLDEVLGDASGVTGVRLKSTIDGSTSELSLAGVFIAIGHKPNTDLFQGQLEMRDGYLRIHGGSEGNATQTSIEGVFAAGDVADHVYRQAITSAGAGCMAALDAEKYLDDH |
| Complex: FAD_A_5(2A87) / Model_5(2A87/A) = [10.1]
| Download | 721.08 | 27.39 | MSEVKHSRLIILGSGPAGYTAAVYAARANLKPVVITGIQPGGQLTTTTEVDNWPGDVEGLTGPALMTRMQQHAERFDTEIVYDHIHTAELQQRPFTLKGDSGTYTCDALIIATGASAQYLGMSSEEAFMGKGVSACATCDGFFYRNQVVCVVGGGNTAVEEALYLANIAKEVHLIHRRDKLRSEKILQDKLFDKAENGNVHLHWNTTLDEVLGDASGVTGVRLKSTIDGSTSELSLAGVFIAIGHKPNTDLFQGQLEMRDGYLRIHGGSEGNATQTSIEGVFAAGDVADHVYRQAITSAGAGCMAALDAEKYLDDH |
Consensus
[pKd Mean = 4.92] | - | 627
(s=335) | 19
(s=13) | MSEVKHSRLIILGSGPAGYTAAVYAARANLKPVVITGIQPGGQLTTTTEVDNWPGDVEGLTGPALMTRMQQHAERFDTEIVYDHIHTAELQQRPFTLKGDSGTYTCDALIIATGASAQYLGMSSEEAFMGKGVSACATCDGFFYRNQVVCVVGGGNTAVEEALYLANIAKEVHLIHRRDKLRSEKILQDKLFDKAENGNVHLHWNTTLDEVLGDASGVTGVRLKSTIDGSTSELSLAGVFIAIGHKPNTDLFQGQLEMRDGYLRIHGGSEGNATQTSIEGVFAAGDVADHVYRQAITSAGAGCMAALDAEKYLDDH |