| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C5_S1 |
| Complex: ADP_B_7(1NVA) / Model_32(1NVA/B) = [3.7]
| Download | 1135.62 | 12.05 | MTDIGAPVTVQVAVDPPYPVVIGTGLLDELEDLLADRHKVAVVHQPGLAETAEEIRKRLAGKGVDAHRIEIPDAEAGKDLPVVGFIWEVLGRIGIGRKDALVSLGGGAATDVAGFAAATWLRGVSIVHLPTTLLGMVDAAVGGKTGINTDAGKNLVGAFHQPLAVLVDLATLQTLPRDEMICGMAEVVKAGFIADPVILDLIEADPQAALDPAGDVLPELIRRAITVKAEVVAADEKESELREILNYGHTLGHAIERRERYRWRHGAAVSVGLVFAAELARLAGRLDDATAQRHRTILSSLGLPVSYDPDALPQLLEIMAGDKKTRAGVLRFVVLDGLAKPGRMVGPDPGLLVTAYAGVCAP |
| Complex: ADP_A_11(1NVF) / Model_15(1NVF/A) = [3.9]
| Download | 880.32 | 16.55 | MTDIGAPVTVQVAVDPPYPVVIGTGLLDELEDLLADRHKVAVVHQPGLAETAEEIRKRLAGKGVDAHRIEIPDAEAGKDLPVVGFIWEVLGRIGIGRKDALVSLGGGAATDVAGFAAATWLRGVSIVHLPTTLLGMVDAAVGGKTGINTDAGKNLVGAFHQPLAVLVDLATLQTLPRDEMICGMAEVVKAGFIADPVILDLIEADPQAALDPAGDVLPELIRRAITVKAEVVAADEKESELREILNYGHTLGHAIERRERYRWRHGAAVSVGLVFAAELARLAGRLDDATAQRHRTILSSLGLPVSYDPDALPQLLEIMAGDKKTRAGVLRFVVLDGLAKPGRMVGPDPGLLVTAYAGVCAP |
| Complex: ADP_B_12(1NVF) / Model_27(1NVF/B) = [3.9]
| Download | 1070.53 | 16.55 | MTDIGAPVTVQVAVDPPYPVVIGTGLLDELEDLLADRHKVAVVHQPGLAETAEEIRKRLAGKGVDAHRIEIPDAEAGKDLPVVGFIWEVLGRIGIGRKDALVSLGGGAATDVAGFAAATWLRGVSIVHLPTTLLGMVDAAVGGKTGINTDAGKNLVGAFHQPLAVLVDLATLQTLPRDEMICGMAEVVKAGFIADPVILDLIEADPQAALDPAGDVLPELIRRAITVKAEVVAADEKESELREILNYGHTLGHAIERRERYRWRHGAAVSVGLVFAAELARLAGRLDDATAQRHRTILSSLGLPVSYDPDALPQLLEIMAGDKKTRAGVLRFVVLDGLAKPGRMVGPDPGLLVTAYAGVCAP |
| Complex: ADP_A_6(1NVA) / Model_11(1NVA/A) = [4.0]
| Download | 1194.80 | 12.94 | MTDIGAPVTVQVAVDPPYPVVIGTGLLDELEDLLADRHKVAVVHQPGLAETAEEIRKRLAGKGVDAHRIEIPDAEAGKDLPVVGFIWEVLGRIGIGRKDALVSLGGGAATDVAGFAAATWLRGVSIVHLPTTLLGMVDAAVGGKTGINTDAGKNLVGAFHQPLAVLVDLATLQTLPRDEMICGMAEVVKAGFIADPVILDLIEADPQAALDPAGDVLPELIRRAITVKAEVVAADEKESELREILNYGHTLGHAIERRERYRWRHGAAVSVGLVFAAELARLAGRLDDATAQRHRTILSSLGLPVSYDPDALPQLLEIMAGDKKTRAGVLRFVVLDGLAKPGRMVGPDPGLLVTAYAGVCAP |
| Complex: ADP_C_13(1NVF) / Model_26(1NVF/C) = [4.1]
| Download | 995.45 | 16.55 | MTDIGAPVTVQVAVDPPYPVVIGTGLLDELEDLLADRHKVAVVHQPGLAETAEEIRKRLAGKGVDAHRIEIPDAEAGKDLPVVGFIWEVLGRIGIGRKDALVSLGGGAATDVAGFAAATWLRGVSIVHLPTTLLGMVDAAVGGKTGINTDAGKNLVGAFHQPLAVLVDLATLQTLPRDEMICGMAEVVKAGFIADPVILDLIEADPQAALDPAGDVLPELIRRAITVKAEVVAADEKESELREILNYGHTLGHAIERRERYRWRHGAAVSVGLVFAAELARLAGRLDDATAQRHRTILSSLGLPVSYDPDALPQLLEIMAGDKKTRAGVLRFVVLDGLAKPGRMVGPDPGLLVTAYAGVCAP |
Consensus
[pKd Mean = 3.92] | - | 1055
(s=109) | 14
(s=2) | MTDIGAPVTVQVAVDPPYPVVIGTGLLDELEDLLADRHKVAVVHQPGLAETAEEIRKRLAGKGVDAHRIEIPDAEAGKDLPVVGFIWEVLGRIGIGRKDALVSLGGGAATDVAGFAAATWLRGVSIVHLPTTLLGMVDAAVGGKTGINTDAGKNLVGAFHQPLAVLVDLATLQTLPRDEMICGMAEVVKAGFIADPVILDLIEADPQAALDPAGDVLPELIRRAITVKAEVVAADEKESELREILNYGHTLGHAIERRERYRWRHGAAVSVGLVFAAELARLAGRLDDATAQRHRTILSSLGLPVSYDPDALPQLLEIMAGDKKTRAGVLRFVVLDGLAKPGRMVGPDPGLLVTAYAGVCAP |