| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C2_S1 |
| Complex: NAI_C_11(3AY6) / Model_26(3AY6/C) = [3.3]
| Download | 1106.14 | 17.35 | MTIDHSVTNTEQLEQQNPAIKTKLKLKKLKDQVIVITGASSGIGLVTARMAAEKGAKVVAAARNEEALKELTDELKEKGHDAIWVKADVGKEEDVNRIAETAISTFGRFDTWVNNAAVSTFGHAMDVTVEDMKRMFDTNFWGPVYGTRAAVKHYTGRGVPGALINVGSLFGDRGTVIQSTYASAKFALHGWTESIRMELEKEQAPVSVTLIHPGRIDTPYNEHAHSYLDKQPAHYRSMIYPPEAVAEAILFAAEHPKRDMYIGSQAKAIAMLGALFPRLTDRLMEKIMYHSQHAERPSNPREESALYDAGCGMHDRGTNKGWMRSRSYYTKATKRPIVSAAVVAGLVAWAAAKRCR |
| Complex: NAI_D_14(3AY6) / Model_25(3AY6/D) = [3.3]
| Download | 1327.29 | 15.85 | MTIDHSVTNTEQLEQQNPAIKTKLKLKKLKDQVIVITGASSGIGLVTARMAAEKGAKVVAAARNEEALKELTDELKEKGHDAIWVKADVGKEEDVNRIAETAISTFGRFDTWVNNAAVSTFGHAMDVTVEDMKRMFDTNFWGPVYGTRAAVKHYTGRGVPGALINVGSLFGDRGTVIQSTYASAKFALHGWTESIRMELEKEQAPVSVTLIHPGRIDTPYNEHAHSYLDKQPAHYRSMIYPPEAVAEAILFAAEHPKRDMYIGSQAKAIAMLGALFPRLTDRLMEKIMYHSQHAERPSNPREESALYDAGCGMHDRGTNKGWMRSRSYYTKATKRPIVSAAVVAGLVAWAAAKRCR |
| Complex: NAI_B_9(3AY6) / Model_27(3AY6/B) = [4.1]
| Download | 1286.33 | 15.85 | MTIDHSVTNTEQLEQQNPAIKTKLKLKKLKDQVIVITGASSGIGLVTARMAAEKGAKVVAAARNEEALKELTDELKEKGHDAIWVKADVGKEEDVNRIAETAISTFGRFDTWVNNAAVSTFGHAMDVTVEDMKRMFDTNFWGPVYGTRAAVKHYTGRGVPGALINVGSLFGDRGTVIQSTYASAKFALHGWTESIRMELEKEQAPVSVTLIHPGRIDTPYNEHAHSYLDKQPAHYRSMIYPPEAVAEAILFAAEHPKRDMYIGSQAKAIAMLGALFPRLTDRLMEKIMYHSQHAERPSNPREESALYDAGCGMHDRGTNKGWMRSRSYYTKATKRPIVSAAVVAGLVAWAAAKRCR |
| Complex: NAD_K_11(1GCO) / Model_35(1GCO/B) = [4.2]
| Download | 1237.07 | 20.00 | MTIDHSVTNTEQLEQQNPAIKTKLKLKKLKDQVIVITGASSGIGLVTARMAAEKGAKVVAAARNEEALKELTDELKEKGHDAIWVKADVGKEEDVNRIAETAISTFGRFDTWVNNAAVSTFGHAMDVTVEDMKRMFDTNFWGPVYGTRAAVKHYTGRGVPGALINVGSLFGDRGTVIQSTYASAKFALHGWTESIRMELEKEQAPVSVTLIHPGRIDTPYNEHAHSYLDKQPAHYRSMIYPPEAVAEAILFAAEHPKRDMYIGSQAKAIAMLGALFPRLTDRLMEKIMYHSQHAERPSNPREESALYDAGCGMHDRGTNKGWMRSRSYYTKATKRPIVSAAVVAGLVAWAAAKRCR |
| Complex: NAI_A_5(3AY6) / Model_3(3AY6/A) = [4.3]
| Download | 1338.87 | 15.85 | MTIDHSVTNTEQLEQQNPAIKTKLKLKKLKDQVIVITGASSGIGLVTARMAAEKGAKVVAAARNEEALKELTDELKEKGHDAIWVKADVGKEEDVNRIAETAISTFGRFDTWVNNAAVSTFGHAMDVTVEDMKRMFDTNFWGPVYGTRAAVKHYTGRGVPGALINVGSLFGDRGTVIQSTYASAKFALHGWTESIRMELEKEQAPVSVTLIHPGRIDTPYNEHAHSYLDKQPAHYRSMIYPPEAVAEAILFAAEHPKRDMYIGSQAKAIAMLGALFPRLTDRLMEKIMYHSQHAERPSNPREESALYDAGCGMHDRGTNKGWMRSRSYYTKATKRPIVSAAVVAGLVAWAAAKRCR |
Consensus
[pKd Mean = 3.84] | - | 1259
(s=84) | 16
(s=1) | MTIDHSVTNTEQLEQQNPAIKTKLKLKKLKDQVIVITGASSGIGLVTARMAAEKGAKVVAAARNEEALKELTDELKEKGHDAIWVKADVGKEEDVNRIAETAISTFGRFDTWVNNAAVSTFGHAMDVTVEDMKRMFDTNFWGPVYGTRAAVKHYTGRGVPGALINVGSLFGDRGTVIQSTYASAKFALHGWTESIRMELEKEQAPVSVTLIHPGRIDTPYNEHAHSYLDKQPAHYRSMIYPPEAVAEAILFAAEHPKRDMYIGSQAKAIAMLGALFPRLTDRLMEKIMYHSQHAERPSNPREESALYDAGCGMHDRGTNKGWMRSRSYYTKATKRPIVSAAVVAGLVAWAAAKRCR |