| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C3_S1 |
| Complex: ADE_A_2(1WEI) / Model_17(1WEI/A) = [3.5]
| Download | 609.65 | 33.74 | MPHILPEPSVTGPRHISDTNLLAWYQRSHRDLPWREPGVSPWQILVSEFMLQQTPAARVLAIWPDWVRRWPTPSATATASTADVLRAWGKLGYPRRAKRLHECATVIARDHNDVVPDDIEILVTLPGVGSYTARAVACFAYRQRVPVVDTNVRRVVARAVHGRADAGAPSVPRDHADVLALLPHRETAPEFSVALMELGATVCTARTPRCGLCPLDWCAWRHAGYPPSDGPPRRGQAYTGTDRQVRGRLLDVLRAAEFPVTRAELDVAWLTDTAQRDRALESLLADALVTRTVDGRFALPGEGF |
| Complex: IMD_A_4(1MUY) / Model_13(1MUY/A) = [3.6]
| Download | 229.75 | 53.27 | MPHILPEPSVTGPRHISDTNLLAWYQRSHRDLPWREPGVSPWQILVSEFMLQQTPAARVLAIWPDWVRRWPTPSATATASTADVLRAWGKLGYPRRAKRLHECATVIARDHNDVVPDDIEILVTLPGVGSYTARAVACFAYRQRVPVVDTNVRRVVARAVHGRADAGAPSVPRDHADVLALLPHRETAPEFSVALMELGATVCTARTPRCGLCPLDWCAWRHAGYPPSDGPPRRGQAYTGTDRQVRGRLLDVLRAAEFPVTRAELDVAWLTDTAQRDRALESLLADALVTRTVDGRFALPGEGF |
| Complex: NACID_B_2(3FSP) / Model_1(3FSP/A) = [3.7]
| Download | - | - | MPHILPEPSVTGPRHISDTNLLAWYQRSHRDLPWREPGVSPWQILVSEFMLQQTPAARVLAIWPDWVRRWPTPSATATASTADVLRAWGKLGYPRRAKRLHECATVIARDHNDVVPDDIEILVTLPGVGSYTARAVACFAYRQRVPVVDTNVRRVVARAVHGRADAGAPSVPRDHADVLALLPHRETAPEFSVALMELGATVCTARTPRCGLCPLDWCAWRHAGYPPSDGPPRRGQAYTGTDRQVRGRLLDVLRAAEFPVTRAELDVAWLTDTAQRDRALESLLADALVTRTVDGRFALPGEGF |
| Complex: ADE_A_3(1MUD) / Model_19(1MUD/A) = [3.8]
| Download | 531.52 | 29.10 | MPHILPEPSVTGPRHISDTNLLAWYQRSHRDLPWREPGVSPWQILVSEFMLQQTPAARVLAIWPDWVRRWPTPSATATASTADVLRAWGKLGYPRRAKRLHECATVIARDHNDVVPDDIEILVTLPGVGSYTARAVACFAYRQRVPVVDTNVRRVVARAVHGRADAGAPSVPRDHADVLALLPHRETAPEFSVALMELGATVCTARTPRCGLCPLDWCAWRHAGYPPSDGPPRRGQAYTGTDRQVRGRLLDVLRAAEFPVTRAELDVAWLTDTAQRDRALESLLADALVTRTVDGRFALPGEGF |
| Complex: IMD_A_7(1MUN) / Model_20(1MUN/A) = [3.9]
| Download | 392.99 | 23.14 | MPHILPEPSVTGPRHISDTNLLAWYQRSHRDLPWREPGVSPWQILVSEFMLQQTPAARVLAIWPDWVRRWPTPSATATASTADVLRAWGKLGYPRRAKRLHECATVIARDHNDVVPDDIEILVTLPGVGSYTARAVACFAYRQRVPVVDTNVRRVVARAVHGRADAGAPSVPRDHADVLALLPHRETAPEFSVALMELGATVCTARTPRCGLCPLDWCAWRHAGYPPSDGPPRRGQAYTGTDRQVRGRLLDVLRAAEFPVTRAELDVAWLTDTAQRDRALESLLADALVTRTVDGRFALPGEGF |
Consensus
[pKd Mean = 3.70] | - | 440
(s=144) | 34
(s=11) | MPHILPEPSVTGPRHISDTNLLAWYQRSHRDLPWREPGVSPWQILVSEFMLQQTPAARVLAIWPDWVRRWPTPSATATASTADVLRAWGKLGYPRRAKRLHECATVIARDHNDVVPDDIEILVTLPGVGSYTARAVACFAYRQRVPVVDTNVRRVVARAVHGRADAGAPSVPRDHADVLALLPHRETAPEFSVALMELGATVCTARTPRCGLCPLDWCAWRHAGYPPSDGPPRRGQAYTGTDRQVRGRLLDVLRAAEFPVTRAELDVAWLTDTAQRDRALESLLADALVTRTVDGRFALPGEGF |