| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C7_S1 |
| Complex: LYS_B_4(4EX5) / Model_32(4EX5/B) = [3.1]
| Download | 16446.16 | 20.75 | MSNENHEELNDQLIVRREKVDTLREEGIDPFGEKFIRSISPEEIETKFADKSKEELEEAAIEVSVAGRIMTKRVKGKVGFTHIQDRFHQLQIYIRKDAIGEDAYAVFKLADLGDIIGIKGTIFRTNTGELSVKATEFTLLSKSLRPLPDKYHGLKDVEQRYRQRYLDLITNEESQNRFVMRSKILKYTRDYMDNQGFLEVETPVLHTIAGGAAAKPFITHHNALDMELYLRIALELHLKRLIVGGMDKVYEIGRVFRNEGTSTRHNPEFTMLESYAAYEDYEDVMDLVEGLVSTVCKQVNGTTEITYGEYKVDLTPNWRRIHMADAVKEYVGVDFWNVTSDEEARELAKKHDVPVTEHMTYGHILNEFFETYVEEKLIQPTFVYGHPVEISPLAKKNKEDERFTDRFELFIVGREHANAFSELNDPIDQRERFEAQMKEREQGNDEAHGMDADFLEALEYGLPPTGGLGIGIDRLVMLLTDAPSIRDILLFPTMKHRD |
| Complex: LYS_A_3(4EX5) / Model_11(4EX5/A) = [3.2]
| Download | 17034.56 | 20.64 | MSNENHEELNDQLIVRREKVDTLREEGIDPFGEKFIRSISPEEIETKFADKSKEELEEAAIEVSVAGRIMTKRVKGKVGFTHIQDRFHQLQIYIRKDAIGEDAYAVFKLADLGDIIGIKGTIFRTNTGELSVKATEFTLLSKSLRPLPDKYHGLKDVEQRYRQRYLDLITNEESQNRFVMRSKILKYTRDYMDNQGFLEVETPVLHTIAGGAAAKPFITHHNALDMELYLRIALELHLKRLIVGGMDKVYEIGRVFRNEGTSTRHNPEFTMLESYAAYEDYEDVMDLVEGLVSTVCKQVNGTTEITYGEYKVDLTPNWRRIHMADAVKEYVGVDFWNVTSDEEARELAKKHDVPVTEHMTYGHILNEFFETYVEEKLIQPTFVYGHPVEISPLAKKNKEDERFTDRFELFIVGREHANAFSELNDPIDQRERFEAQMKEREQGNDEAHGMDADFLEALEYGLPPTGGLGIGIDRLVMLLTDAPSIRDILLFPTMKHRD |
| Complex: LYS_B_3(1E1O) / Model_70(1E1O/A) = [3.3]
| Download | 18283.60 | 18.81 | MSNENHEELNDQLIVRREKVDTLREEGIDPFGEKFIRSISPEEIETKFADKSKEELEEAAIEVSVAGRIMTKRVKGKVGFTHIQDRFHQLQIYIRKDAIGEDAYAVFKLADLGDIIGIKGTIFRTNTGELSVKATEFTLLSKSLRPLPDKYHGLKDVEQRYRQRYLDLITNEESQNRFVMRSKILKYTRDYMDNQGFLEVETPVLHTIAGGAAAKPFITHHNALDMELYLRIALELHLKRLIVGGMDKVYEIGRVFRNEGTSTRHNPEFTMLESYAAYEDYEDVMDLVEGLVSTVCKQVNGTTEITYGEYKVDLTPNWRRIHMADAVKEYVGVDFWNVTSDEEARELAKKHDVPVTEHMTYGHILNEFFETYVEEKLIQPTFVYGHPVEISPLAKKNKEDERFTDRFELFIVGREHANAFSELNDPIDQRERFEAQMKEREQGNDEAHGMDADFLEALEYGLPPTGGLGIGIDRLVMLLTDAPSIRDILLFPTMKHRD |
| Complex: LYS_B_3(1E1O) / Model_5(1E1O/A) = [3.3]
| Download | 16180.99 | 18.13 | MSNENHEELNDQLIVRREKVDTLREEGIDPFGEKFIRSISPEEIETKFADKSKEELEEAAIEVSVAGRIMTKRVKGKVGFTHIQDRFHQLQIYIRKDAIGEDAYAVFKLADLGDIIGIKGTIFRTNTGELSVKATEFTLLSKSLRPLPDKYHGLKDVEQRYRQRYLDLITNEESQNRFVMRSKILKYTRDYMDNQGFLEVETPVLHTIAGGAAAKPFITHHNALDMELYLRIALELHLKRLIVGGMDKVYEIGRVFRNEGTSTRHNPEFTMLESYAAYEDYEDVMDLVEGLVSTVCKQVNGTTEITYGEYKVDLTPNWRRIHMADAVKEYVGVDFWNVTSDEEARELAKKHDVPVTEHMTYGHILNEFFETYVEEKLIQPTFVYGHPVEISPLAKKNKEDERFTDRFELFIVGREHANAFSELNDPIDQRERFEAQMKEREQGNDEAHGMDADFLEALEYGLPPTGGLGIGIDRLVMLLTDAPSIRDILLFPTMKHRD |
| Complex: ATP_A_2(4UP9) / Model_19(4UP9/A) = [5.4]
| Download | 1172.29 | -6.12 | MSNENHEELNDQLIVRREKVDTLREEGIDPFGEKFIRSISPEEIETKFADKSKEELEEAAIEVSVAGRIMTKRVKGKVGFTHIQDRFHQLQIYIRKDAIGEDAYAVFKLADLGDIIGIKGTIFRTNTGELSVKATEFTLLSKSLRPLPDKYHGLKDVEQRYRQRYLDLITNEESQNRFVMRSKILKYTRDYMDNQGFLEVETPVLHTIAGGAAAKPFITHHNALDMELYLRIALELHLKRLIVGGMDKVYEIGRVFRNEGTSTRHNPEFTMLESYAAYEDYEDVMDLVEGLVSTVCKQVNGTTEITYGEYKVDLTPNWRRIHMADAVKEYVGVDFWNVTSDEEARELAKKHDVPVTEHMTYGHILNEFFETYVEEKLIQPTFVYGHPVEISPLAKKNKEDERFTDRFELFIVGREHANAFSELNDPIDQRERFEAQMKEREQGNDEAHGMDADFLEALEYGLPPTGGLGIGIDRLVMLLTDAPSIRDILLFPTMKHRD |
Consensus
[pKd Mean = 3.66] | - | 13823
(s=6366) | 14
(s=10) | MSNENHEELNDQLIVRREKVDTLREEGIDPFGEKFIRSISPEEIETKFADKSKEELEEAAIEVSVAGRIMTKRVKGKVGFTHIQDRFHQLQIYIRKDAIGEDAYAVFKLADLGDIIGIKGTIFRTNTGELSVKATEFTLLSKSLRPLPDKYHGLKDVEQRYRQRYLDLITNEESQNRFVMRSKILKYTRDYMDNQGFLEVETPVLHTIAGGAAAKPFITHHNALDMELYLRIALELHLKRLIVGGMDKVYEIGRVFRNEGTSTRHNPEFTMLESYAAYEDYEDVMDLVEGLVSTVCKQVNGTTEITYGEYKVDLTPNWRRIHMADAVKEYVGVDFWNVTSDEEARELAKKHDVPVTEHMTYGHILNEFFETYVEEKLIQPTFVYGHPVEISPLAKKNKEDERFTDRFELFIVGREHANAFSELNDPIDQRERFEAQMKEREQGNDEAHGMDADFLEALEYGLPPTGGLGIGIDRLVMLLTDAPSIRDILLFPTMKHRD |