| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C6_S1 |
| Complex: NACID_D_2(2PJR) / Model_31(2PJR/G) = [3.4]
| Download | - | - | MNDDLSLLLNSLNDPQRQAVAAPLGRQLVLAGAGSGKTRVLVHRIAWLIQVEHASPYSILSVTFTNKAAAEMRHRIEQLLGINPAGMWVGTFHGLAHRLLRAHWREAGLSENFQILDSDDQQRLVKRVIRELGLDEQRWPARQAQWFINGQKDEGLRPQHIQPGGDLFLATMLKIYEAYEAACARAGVIDFSELLLRALDLWRDHPGVLEHYQRRFRHILVDEFQDTNAVQYAWLRILAKGGDSLMVVGDDDQSIYGWRGARIENIQQFSDDFADAEVIRLEQNYRSTASILKAANALIANNQGRLGKELWTDGEDGESLSLYAAFNEHDEARYVVESIESALKGGLARSEIAILYRSNAQSRVLEEALLREKIPYRIYGGQRFFERAEIKNAMAYLRLLDGRGNDAALERVVNVPARGIGEKTVESIREFARGNDVSMWEAIRLMIANKVLPGRAASALTGFVELIENLSAKVMDMPLHLMTQTVIEQSGLISYHKEEKGEKGQARVENLEELVSAARAFENSEEEEDLTPLQAFLSHASLEAGETQADAHEDSVQLMTLHSAKGLEFPLVFLVGMEEGLFPHKMSLEESGRLEEERRLAYVGVTRAMQRLVLTYAETRRLYGSETYNKVSRFIREIPPALIQEVRLSNTVSRPYGGTSRSAGGNLFSGAGVPETPFSLGQRVRHALFGEGTILNFEGAGAQARVQVNFESEGSKWLMLGYAKLEAL |
| Complex: NACID_D_2(2IS6) / Model_3(2IS6/A) = [4.0]
| Download | - | - | MNDDLSLLLNSLNDPQRQAVAAPLGRQLVLAGAGSGKTRVLVHRIAWLIQVEHASPYSILSVTFTNKAAAEMRHRIEQLLGINPAGMWVGTFHGLAHRLLRAHWREAGLSENFQILDSDDQQRLVKRVIRELGLDEQRWPARQAQWFINGQKDEGLRPQHIQPGGDLFLATMLKIYEAYEAACARAGVIDFSELLLRALDLWRDHPGVLEHYQRRFRHILVDEFQDTNAVQYAWLRILAKGGDSLMVVGDDDQSIYGWRGARIENIQQFSDDFADAEVIRLEQNYRSTASILKAANALIANNQGRLGKELWTDGEDGESLSLYAAFNEHDEARYVVESIESALKGGLARSEIAILYRSNAQSRVLEEALLREKIPYRIYGGQRFFERAEIKNAMAYLRLLDGRGNDAALERVVNVPARGIGEKTVESIREFARGNDVSMWEAIRLMIANKVLPGRAASALTGFVELIENLSAKVMDMPLHLMTQTVIEQSGLISYHKEEKGEKGQARVENLEELVSAARAFENSEEEEDLTPLQAFLSHASLEAGETQADAHEDSVQLMTLHSAKGLEFPLVFLVGMEEGLFPHKMSLEESGRLEEERRLAYVGVTRAMQRLVLTYAETRRLYGSETYNKVSRFIREIPPALIQEVRLSNTVSRPYGGTSRSAGGNLFSGAGVPETPFSLGQRVRHALFGEGTILNFEGAGAQARVQVNFESEGSKWLMLGYAKLEAL |
| Complex: CHAIN_K_5(4C30) / Model_24(4C30/F) = [4.1]
| Download | - | - | MNDDLSLLLNSLNDPQRQAVAAPLGRQLVLAGAGSGKTRVLVHRIAWLIQVEHASPYSILSVTFTNKAAAEMRHRIEQLLGINPAGMWVGTFHGLAHRLLRAHWREAGLSENFQILDSDDQQRLVKRVIRELGLDEQRWPARQAQWFINGQKDEGLRPQHIQPGGDLFLATMLKIYEAYEAACARAGVIDFSELLLRALDLWRDHPGVLEHYQRRFRHILVDEFQDTNAVQYAWLRILAKGGDSLMVVGDDDQSIYGWRGARIENIQQFSDDFADAEVIRLEQNYRSTASILKAANALIANNQGRLGKELWTDGEDGESLSLYAAFNEHDEARYVVESIESALKGGLARSEIAILYRSNAQSRVLEEALLREKIPYRIYGGQRFFERAEIKNAMAYLRLLDGRGNDAALERVVNVPARGIGEKTVESIREFARGNDVSMWEAIRLMIANKVLPGRAASALTGFVELIENLSAKVMDMPLHLMTQTVIEQSGLISYHKEEKGEKGQARVENLEELVSAARAFENSEEEEDLTPLQAFLSHASLEAGETQADAHEDSVQLMTLHSAKGLEFPLVFLVGMEEGLFPHKMSLEESGRLEEERRLAYVGVTRAMQRLVLTYAETRRLYGSETYNKVSRFIREIPPALIQEVRLSNTVSRPYGGTSRSAGGNLFSGAGVPETPFSLGQRVRHALFGEGTILNFEGAGAQARVQVNFESEGSKWLMLGYAKLEAL |
| Complex: NACID_C_1(2PJR) / Model_32(2PJR/B) = [4.7]
| Download | - | - | MNDDLSLLLNSLNDPQRQAVAAPLGRQLVLAGAGSGKTRVLVHRIAWLIQVEHASPYSILSVTFTNKAAAEMRHRIEQLLGINPAGMWVGTFHGLAHRLLRAHWREAGLSENFQILDSDDQQRLVKRVIRELGLDEQRWPARQAQWFINGQKDEGLRPQHIQPGGDLFLATMLKIYEAYEAACARAGVIDFSELLLRALDLWRDHPGVLEHYQRRFRHILVDEFQDTNAVQYAWLRILAKGGDSLMVVGDDDQSIYGWRGARIENIQQFSDDFADAEVIRLEQNYRSTASILKAANALIANNQGRLGKELWTDGEDGESLSLYAAFNEHDEARYVVESIESALKGGLARSEIAILYRSNAQSRVLEEALLREKIPYRIYGGQRFFERAEIKNAMAYLRLLDGRGNDAALERVVNVPARGIGEKTVESIREFARGNDVSMWEAIRLMIANKVLPGRAASALTGFVELIENLSAKVMDMPLHLMTQTVIEQSGLISYHKEEKGEKGQARVENLEELVSAARAFENSEEEEDLTPLQAFLSHASLEAGETQADAHEDSVQLMTLHSAKGLEFPLVFLVGMEEGLFPHKMSLEESGRLEEERRLAYVGVTRAMQRLVLTYAETRRLYGSETYNKVSRFIREIPPALIQEVRLSNTVSRPYGGTSRSAGGNLFSGAGVPETPFSLGQRVRHALFGEGTILNFEGAGAQARVQVNFESEGSKWLMLGYAKLEAL |
| Complex: CHAIN_M_5(4C2T) / Model_6(4C2T/A) = [5.3]
| Download | - | - | MNDDLSLLLNSLNDPQRQAVAAPLGRQLVLAGAGSGKTRVLVHRIAWLIQVEHASPYSILSVTFTNKAAAEMRHRIEQLLGINPAGMWVGTFHGLAHRLLRAHWREAGLSENFQILDSDDQQRLVKRVIRELGLDEQRWPARQAQWFINGQKDEGLRPQHIQPGGDLFLATMLKIYEAYEAACARAGVIDFSELLLRALDLWRDHPGVLEHYQRRFRHILVDEFQDTNAVQYAWLRILAKGGDSLMVVGDDDQSIYGWRGARIENIQQFSDDFADAEVIRLEQNYRSTASILKAANALIANNQGRLGKELWTDGEDGESLSLYAAFNEHDEARYVVESIESALKGGLARSEIAILYRSNAQSRVLEEALLREKIPYRIYGGQRFFERAEIKNAMAYLRLLDGRGNDAALERVVNVPARGIGEKTVESIREFARGNDVSMWEAIRLMIANKVLPGRAASALTGFVELIENLSAKVMDMPLHLMTQTVIEQSGLISYHKEEKGEKGQARVENLEELVSAARAFENSEEEEDLTPLQAFLSHASLEAGETQADAHEDSVQLMTLHSAKGLEFPLVFLVGMEEGLFPHKMSLEESGRLEEERRLAYVGVTRAMQRLVLTYAETRRLYGSETYNKVSRFIREIPPALIQEVRLSNTVSRPYGGTSRSAGGNLFSGAGVPETPFSLGQRVRHALFGEGTILNFEGAGAQARVQVNFESEGSKWLMLGYAKLEAL |
Consensus
[pKd Mean = 4.30] | - | 0
(s=0) | 0
(s=0) | MNDDLSLLLNSLNDPQRQAVAAPLGRQLVLAGAGSGKTRVLVHRIAWLIQVEHASPYSILSVTFTNKAAAEMRHRIEQLLGINPAGMWVGTFHGLAHRLLRAHWREAGLSENFQILDSDDQQRLVKRVIRELGLDEQRWPARQAQWFINGQKDEGLRPQHIQPGGDLFLATMLKIYEAYEAACARAGVIDFSELLLRALDLWRDHPGVLEHYQRRFRHILVDEFQDTNAVQYAWLRILAKGGDSLMVVGDDDQSIYGWRGARIENIQQFSDDFADAEVIRLEQNYRSTASILKAANALIANNQGRLGKELWTDGEDGESLSLYAAFNEHDEARYVVESIESALKGGLARSEIAILYRSNAQSRVLEEALLREKIPYRIYGGQRFFERAEIKNAMAYLRLLDGRGNDAALERVVNVPARGIGEKTVESIREFARGNDVSMWEAIRLMIANKVLPGRAASALTGFVELIENLSAKVMDMPLHLMTQTVIEQSGLISYHKEEKGEKGQARVENLEELVSAARAFENSEEEEDLTPLQAFLSHASLEAGETQADAHEDSVQLMTLHSAKGLEFPLVFLVGMEEGLFPHKMSLEESGRLEEERRLAYVGVTRAMQRLVLTYAETRRLYGSETYNKVSRFIREIPPALIQEVRLSNTVSRPYGGTSRSAGGNLFSGAGVPETPFSLGQRVRHALFGEGTILNFEGAGAQARVQVNFESEGSKWLMLGYAKLEAL |