| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C3_S1 |
| Complex: ADN_A_3(2W03) / Model_2(2W03/A) = [3.7]
| Download | 712.68 | 13.32 | MQNKELIQHAAYAAIERILNEYFREENLYQVPPQNHQWSIQLSELETLTGEFRYWSAMGHHMYHPEVWLIDGKSKKITTYKEAIARILQHMAQSADNQTAVQQHMAQIMSDIDNSIHRTARYLQSNTIDYVEDRYIVSEQSLYLGHPFHPTPKSASGFSEADLEKYAPECHTSFQLHYLAVHQDVLLTRYVEGKEDQVEKVLYQLADIDISEIPKDFILLPTHPYQINVLRQHPQYMQYSEQGLIKDLGVSGDLVYPTSSVRTVFSKALNIYLKLPIHVKITNFIRTNDLEQIERTIDAAQVIASVKDEVETPHFKLMFEEGYRALLPNPLGQTVEPEMDLLTNSAMIVREGIPNYHADKDIHVLASLFETMPDSPISKLAQVIEQSGLAPEAWLECYLDRTLLPILKLFSNTGISLEAHVQNTLIELKDGIPDVCFVRDLEGICLSRTIATEKQLVPNVVAASSPVVYAHDEAWHRLKYYVVVNHLGHLVSTIGKATRNEVVLWQLVAHRLMTWKKEYANNAVFVDCVEDLYQTPTIAAKANLMSKLNDCGANPIYTHIPNPICYNKEVSYCESNNS |
| Complex: AMP_A_3(2X3K) / Model_4(2X3K/A) = [4.4]
| Download | 921.63 | 10.81 | MQNKELIQHAAYAAIERILNEYFREENLYQVPPQNHQWSIQLSELETLTGEFRYWSAMGHHMYHPEVWLIDGKSKKITTYKEAIARILQHMAQSADNQTAVQQHMAQIMSDIDNSIHRTARYLQSNTIDYVEDRYIVSEQSLYLGHPFHPTPKSASGFSEADLEKYAPECHTSFQLHYLAVHQDVLLTRYVEGKEDQVEKVLYQLADIDISEIPKDFILLPTHPYQINVLRQHPQYMQYSEQGLIKDLGVSGDLVYPTSSVRTVFSKALNIYLKLPIHVKITNFIRTNDLEQIERTIDAAQVIASVKDEVETPHFKLMFEEGYRALLPNPLGQTVEPEMDLLTNSAMIVREGIPNYHADKDIHVLASLFETMPDSPISKLAQVIEQSGLAPEAWLECYLDRTLLPILKLFSNTGISLEAHVQNTLIELKDGIPDVCFVRDLEGICLSRTIATEKQLVPNVVAASSPVVYAHDEAWHRLKYYVVVNHLGHLVSTIGKATRNEVVLWQLVAHRLMTWKKEYANNAVFVDCVEDLYQTPTIAAKANLMSKLNDCGANPIYTHIPNPICYNKEVSYCESNNS |
| Complex: ATP_A_3(2X3J) / Model_5(2X3J/A) = [8.1]
| Download | 938.53 | 9.81 | MQNKELIQHAAYAAIERILNEYFREENLYQVPPQNHQWSIQLSELETLTGEFRYWSAMGHHMYHPEVWLIDGKSKKITTYKEAIARILQHMAQSADNQTAVQQHMAQIMSDIDNSIHRTARYLQSNTIDYVEDRYIVSEQSLYLGHPFHPTPKSASGFSEADLEKYAPECHTSFQLHYLAVHQDVLLTRYVEGKEDQVEKVLYQLADIDISEIPKDFILLPTHPYQINVLRQHPQYMQYSEQGLIKDLGVSGDLVYPTSSVRTVFSKALNIYLKLPIHVKITNFIRTNDLEQIERTIDAAQVIASVKDEVETPHFKLMFEEGYRALLPNPLGQTVEPEMDLLTNSAMIVREGIPNYHADKDIHVLASLFETMPDSPISKLAQVIEQSGLAPEAWLECYLDRTLLPILKLFSNTGISLEAHVQNTLIELKDGIPDVCFVRDLEGICLSRTIATEKQLVPNVVAASSPVVYAHDEAWHRLKYYVVVNHLGHLVSTIGKATRNEVVLWQLVAHRLMTWKKEYANNAVFVDCVEDLYQTPTIAAKANLMSKLNDCGANPIYTHIPNPICYNKEVSYCESNNS |
| Complex: ATP_A_4(2W02) / Model_1(2W02/A) = [9.1]
| Download | 998.62 | 10.47 | MQNKELIQHAAYAAIERILNEYFREENLYQVPPQNHQWSIQLSELETLTGEFRYWSAMGHHMYHPEVWLIDGKSKKITTYKEAIARILQHMAQSADNQTAVQQHMAQIMSDIDNSIHRTARYLQSNTIDYVEDRYIVSEQSLYLGHPFHPTPKSASGFSEADLEKYAPECHTSFQLHYLAVHQDVLLTRYVEGKEDQVEKVLYQLADIDISEIPKDFILLPTHPYQINVLRQHPQYMQYSEQGLIKDLGVSGDLVYPTSSVRTVFSKALNIYLKLPIHVKITNFIRTNDLEQIERTIDAAQVIASVKDEVETPHFKLMFEEGYRALLPNPLGQTVEPEMDLLTNSAMIVREGIPNYHADKDIHVLASLFETMPDSPISKLAQVIEQSGLAPEAWLECYLDRTLLPILKLFSNTGISLEAHVQNTLIELKDGIPDVCFVRDLEGICLSRTIATEKQLVPNVVAASSPVVYAHDEAWHRLKYYVVVNHLGHLVSTIGKATRNEVVLWQLVAHRLMTWKKEYANNAVFVDCVEDLYQTPTIAAKANLMSKLNDCGANPIYTHIPNPICYNKEVSYCESNNS |
Consensus
[pKd Mean = 6.33] | - | 892
(s=107) | 11
(s=1) | MQNKELIQHAAYAAIERILNEYFREENLYQVPPQNHQWSIQLSELETLTGEFRYWSAMGHHMYHPEVWLIDGKSKKITTYKEAIARILQHMAQSADNQTAVQQHMAQIMSDIDNSIHRTARYLQSNTIDYVEDRYIVSEQSLYLGHPFHPTPKSASGFSEADLEKYAPECHTSFQLHYLAVHQDVLLTRYVEGKEDQVEKVLYQLADIDISEIPKDFILLPTHPYQINVLRQHPQYMQYSEQGLIKDLGVSGDLVYPTSSVRTVFSKALNIYLKLPIHVKITNFIRTNDLEQIERTIDAAQVIASVKDEVETPHFKLMFEEGYRALLPNPLGQTVEPEMDLLTNSAMIVREGIPNYHADKDIHVLASLFETMPDSPISKLAQVIEQSGLAPEAWLECYLDRTLLPILKLFSNTGISLEAHVQNTLIELKDGIPDVCFVRDLEGICLSRTIATEKQLVPNVVAASSPVVYAHDEAWHRLKYYVVVNHLGHLVSTIGKATRNEVVLWQLVAHRLMTWKKEYANNAVFVDCVEDLYQTPTIAAKANLMSKLNDCGANPIYTHIPNPICYNKEVSYCESNNS |