| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C2_S1 |
| Complex: HPD_A_3(1JCJ) / Model_20(1JCJ/A) = [3.1]
| Download | 903.57 | 15.90 | MSLANIIDHTALKPHTQKADILKLIEEAKTYKFASVCVNPTWVELAAKELKGTGVDVCTVIGFPLGANTTETKAFETKDAISKGATEVDMVINIAALKDKEDDVVEADIRGVVEAVAGKALVKVIIETCLLTDEEKERACRLAVSAGADFVKTSTGFSTGGATKEDIALMRKTVGPDIGVKASGGVRTKEDVDTMVEAGASRIGASAGVSIVKGENASGGDNY |
| Complex: UNL_D_12(3NG3) / Model_31(3NG3/D) = [3.3]
| Download | 237.45 | 18.12 | MSLANIIDHTALKPHTQKADILKLIEEAKTYKFASVCVNPTWVELAAKELKGTGVDVCTVIGFPLGANTTETKAFETKDAISKGATEVDMVINIAALKDKEDDVVEADIRGVVEAVAGKALVKVIIETCLLTDEEKERACRLAVSAGADFVKTSTGFSTGGATKEDIALMRKTVGPDIGVKASGGVRTKEDVDTMVEAGASRIGASAGVSIVKGENASGGDNY |
| Complex: UNL_C_9(3NG3) / Model_32(3NG3/C) = [3.3]
| Download | 285.13 | 18.12 | MSLANIIDHTALKPHTQKADILKLIEEAKTYKFASVCVNPTWVELAAKELKGTGVDVCTVIGFPLGANTTETKAFETKDAISKGATEVDMVINIAALKDKEDDVVEADIRGVVEAVAGKALVKVIIETCLLTDEEKERACRLAVSAGADFVKTSTGFSTGGATKEDIALMRKTVGPDIGVKASGGVRTKEDVDTMVEAGASRIGASAGVSIVKGENASGGDNY |
| Complex: ACY_B_4(4XBK) / Model_24(4XBK/B) = [3.4]
| Download | 292.00 | -10.33 | MSLANIIDHTALKPHTQKADILKLIEEAKTYKFASVCVNPTWVELAAKELKGTGVDVCTVIGFPLGANTTETKAFETKDAISKGATEVDMVINIAALKDKEDDVVEADIRGVVEAVAGKALVKVIIETCLLTDEEKERACRLAVSAGADFVKTSTGFSTGGATKEDIALMRKTVGPDIGVKASGGVRTKEDVDTMVEAGASRIGASAGVSIVKGENASGGDNY |
| Complex: ACY_B_3(4XBK) / Model_24(4XBK/B) = [3.4]
| Download | 237.87 | 16.19 | MSLANIIDHTALKPHTQKADILKLIEEAKTYKFASVCVNPTWVELAAKELKGTGVDVCTVIGFPLGANTTETKAFETKDAISKGATEVDMVINIAALKDKEDDVVEADIRGVVEAVAGKALVKVIIETCLLTDEEKERACRLAVSAGADFVKTSTGFSTGGATKEDIALMRKTVGPDIGVKASGGVRTKEDVDTMVEAGASRIGASAGVSIVKGENASGGDNY |
Consensus
[pKd Mean = 3.30] | - | 391
(s=257) | 11
(s=11) | MSLANIIDHTALKPHTQKADILKLIEEAKTYKFASVCVNPTWVELAAKELKGTGVDVCTVIGFPLGANTTETKAFETKDAISKGATEVDMVINIAALKDKEDDVVEADIRGVVEAVAGKALVKVIIETCLLTDEEKERACRLAVSAGADFVKTSTGFSTGGATKEDIALMRKTVGPDIGVKASGGVRTKEDVDTMVEAGASRIGASAGVSIVKGENASGGDNY |