| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C2_S1 |
| Complex: P6G_A_6(3CTZ) / Model_38(3CTZ/A) = [3.1]
| Download | 1012.86 | -6.50 | MSKLTKIQETLGKEKIEAVLVTSEFNRRYVSGFTGTSGVALILPEKAYFVTDFRYTEQAAKQAEGYEIVQHTGPIFDTVEDLLIKNDTKTLHFEADYVTVSEFKQMERVFNRQLIPLTGFFEEMRKVKTASELKAIRTACDIADAAFAHIIQFIKPGMAEIEVSNELEFFMRRAGATSSSFDTIVASGIRSALPHGVASDKKIEVGDFVTMDYGCYYDGYCSDMTRTIAVGEPAEKLKEIYQITLDAQLKVIDSLKPGMTGIEADAIARDYISSFGYGDAFGHSLGHGIGLEIHEGPNLSFKSPQKLEVGHVVTDEPGIYLPGIGGVRIEDDLLITETGNEILIHSPKELIIL |
| Complex: CHAIN_B_2(2BHD) / Model_20(2BHD/A) = [3.2]
| Download | - | - | MSKLTKIQETLGKEKIEAVLVTSEFNRRYVSGFTGTSGVALILPEKAYFVTDFRYTEQAAKQAEGYEIVQHTGPIFDTVEDLLIKNDTKTLHFEADYVTVSEFKQMERVFNRQLIPLTGFFEEMRKVKTASELKAIRTACDIADAAFAHIIQFIKPGMAEIEVSNELEFFMRRAGATSSSFDTIVASGIRSALPHGVASDKKIEVGDFVTMDYGCYYDGYCSDMTRTIAVGEPAEKLKEIYQITLDAQLKVIDSLKPGMTGIEADAIARDYISSFGYGDAFGHSLGHGIGLEIHEGPNLSFKSPQKLEVGHVVTDEPGIYLPGIGGVRIEDDLLITETGNEILIHSPKELIIL |
| Complex: MRD_A_8(2BHB) / Model_18(2BHB/A) = [3.4]
| Download | 477.56 | -10.13 | MSKLTKIQETLGKEKIEAVLVTSEFNRRYVSGFTGTSGVALILPEKAYFVTDFRYTEQAAKQAEGYEIVQHTGPIFDTVEDLLIKNDTKTLHFEADYVTVSEFKQMERVFNRQLIPLTGFFEEMRKVKTASELKAIRTACDIADAAFAHIIQFIKPGMAEIEVSNELEFFMRRAGATSSSFDTIVASGIRSALPHGVASDKKIEVGDFVTMDYGCYYDGYCSDMTRTIAVGEPAEKLKEIYQITLDAQLKVIDSLKPGMTGIEADAIARDYISSFGYGDAFGHSLGHGIGLEIHEGPNLSFKSPQKLEVGHVVTDEPGIYLPGIGGVRIEDDLLITETGNEILIHSPKELIIL |
| Complex: LEU_A_3(1A16) / Model_36(1A16/A) = [4.0]
| Download | 8047.53 | 12.23 | MSKLTKIQETLGKEKIEAVLVTSEFNRRYVSGFTGTSGVALILPEKAYFVTDFRYTEQAAKQAEGYEIVQHTGPIFDTVEDLLIKNDTKTLHFEADYVTVSEFKQMERVFNRQLIPLTGFFEEMRKVKTASELKAIRTACDIADAAFAHIIQFIKPGMAEIEVSNELEFFMRRAGATSSSFDTIVASGIRSALPHGVASDKKIEVGDFVTMDYGCYYDGYCSDMTRTIAVGEPAEKLKEIYQITLDAQLKVIDSLKPGMTGIEADAIARDYISSFGYGDAFGHSLGHGIGLEIHEGPNLSFKSPQKLEVGHVVTDEPGIYLPGIGGVRIEDDLLITETGNEILIHSPKELIIL |
| Complex: CHAIN_B_2(2BHA) / Model_17(2BHA/A) = [4.9]
| Download | - | - | MSKLTKIQETLGKEKIEAVLVTSEFNRRYVSGFTGTSGVALILPEKAYFVTDFRYTEQAAKQAEGYEIVQHTGPIFDTVEDLLIKNDTKTLHFEADYVTVSEFKQMERVFNRQLIPLTGFFEEMRKVKTASELKAIRTACDIADAAFAHIIQFIKPGMAEIEVSNELEFFMRRAGATSSSFDTIVASGIRSALPHGVASDKKIEVGDFVTMDYGCYYDGYCSDMTRTIAVGEPAEKLKEIYQITLDAQLKVIDSLKPGMTGIEADAIARDYISSFGYGDAFGHSLGHGIGLEIHEGPNLSFKSPQKLEVGHVVTDEPGIYLPGIGGVRIEDDLLITETGNEILIHSPKELIIL |
Consensus
[pKd Mean = 3.72] | - | 3179
(s=3449) | -1
(s=9) | MSKLTKIQETLGKEKIEAVLVTSEFNRRYVSGFTGTSGVALILPEKAYFVTDFRYTEQAAKQAEGYEIVQHTGPIFDTVEDLLIKNDTKTLHFEADYVTVSEFKQMERVFNRQLIPLTGFFEEMRKVKTASELKAIRTACDIADAAFAHIIQFIKPGMAEIEVSNELEFFMRRAGATSSSFDTIVASGIRSALPHGVASDKKIEVGDFVTMDYGCYYDGYCSDMTRTIAVGEPAEKLKEIYQITLDAQLKVIDSLKPGMTGIEADAIARDYISSFGYGDAFGHSLGHGIGLEIHEGPNLSFKSPQKLEVGHVVTDEPGIYLPGIGGVRIEDDLLITETGNEILIHSPKELIIL |