| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C1_S1 |
| Complex: C5P_J_10(1U80) / Model_15(1U80/B) = [3.7]
| Download | 991.50 | 22.88 | MQRLYRKRIVLGVGGGIAAYKSAELVRRLRDQGAEVRVVMTQGGREFITPLTLQALSGHPVHTDLLDPAAEAAMGHIELARWADLVLIAPATADLMARLVQGVANDLLTTLVLATDAQIALAPAMNQAMWRDTATQANAELLRQRGFHLFGPAAGSQACGDVGLGRMLEAEELAQRAADCFQRQALTGVHVLITAGPTQENIDPVRYITNHSSGKMGFALAEAAVEAGARVTLVTGPVHLPTPDRVQRVDVVSARDMLAACEAAMPCDLLIASAAVADYRPEVVAAHKLKKDPTSGEGLLLQLVRNPDILATLAQREDRPFSVGFAAETENLLDYAARKLKDKNLDLIVANDVANPSIGFNSDENAITVIDRDLHPSTFAQTSKGKIARQLVAFIADRLNQQ |
| Complex: C5P_I_9(1U80) / Model_3(1U80/A) = [4.1]
| Download | 760.52 | 22.88 | MQRLYRKRIVLGVGGGIAAYKSAELVRRLRDQGAEVRVVMTQGGREFITPLTLQALSGHPVHTDLLDPAAEAAMGHIELARWADLVLIAPATADLMARLVQGVANDLLTTLVLATDAQIALAPAMNQAMWRDTATQANAELLRQRGFHLFGPAAGSQACGDVGLGRMLEAEELAQRAADCFQRQALTGVHVLITAGPTQENIDPVRYITNHSSGKMGFALAEAAVEAGARVTLVTGPVHLPTPDRVQRVDVVSARDMLAACEAAMPCDLLIASAAVADYRPEVVAAHKLKKDPTSGEGLLLQLVRNPDILATLAQREDRPFSVGFAAETENLLDYAARKLKDKNLDLIVANDVANPSIGFNSDENAITVIDRDLHPSTFAQTSKGKIARQLVAFIADRLNQQ |
| Complex: C5P_K_11(1U80) / Model_14(1U80/C) = [4.6]
| Download | 946.14 | 22.88 | MQRLYRKRIVLGVGGGIAAYKSAELVRRLRDQGAEVRVVMTQGGREFITPLTLQALSGHPVHTDLLDPAAEAAMGHIELARWADLVLIAPATADLMARLVQGVANDLLTTLVLATDAQIALAPAMNQAMWRDTATQANAELLRQRGFHLFGPAAGSQACGDVGLGRMLEAEELAQRAADCFQRQALTGVHVLITAGPTQENIDPVRYITNHSSGKMGFALAEAAVEAGARVTLVTGPVHLPTPDRVQRVDVVSARDMLAACEAAMPCDLLIASAAVADYRPEVVAAHKLKKDPTSGEGLLLQLVRNPDILATLAQREDRPFSVGFAAETENLLDYAARKLKDKNLDLIVANDVANPSIGFNSDENAITVIDRDLHPSTFAQTSKGKIARQLVAFIADRLNQQ |
| Complex: CTP_A_3(4QJI) / Model_4(4QJI/A) = [5.2]
| Download | 1550.37 | 28.08 | MQRLYRKRIVLGVGGGIAAYKSAELVRRLRDQGAEVRVVMTQGGREFITPLTLQALSGHPVHTDLLDPAAEAAMGHIELARWADLVLIAPATADLMARLVQGVANDLLTTLVLATDAQIALAPAMNQAMWRDTATQANAELLRQRGFHLFGPAAGSQACGDVGLGRMLEAEELAQRAADCFQRQALTGVHVLITAGPTQENIDPVRYITNHSSGKMGFALAEAAVEAGARVTLVTGPVHLPTPDRVQRVDVVSARDMLAACEAAMPCDLLIASAAVADYRPEVVAAHKLKKDPTSGEGLLLQLVRNPDILATLAQREDRPFSVGFAAETENLLDYAARKLKDKNLDLIVANDVANPSIGFNSDENAITVIDRDLHPSTFAQTSKGKIARQLVAFIADRLNQQ |
| Complex: CTP_B_5(4QJI) / Model_18(4QJI/B) = [5.2]
| Download | 1760.66 | 26.64 | MQRLYRKRIVLGVGGGIAAYKSAELVRRLRDQGAEVRVVMTQGGREFITPLTLQALSGHPVHTDLLDPAAEAAMGHIELARWADLVLIAPATADLMARLVQGVANDLLTTLVLATDAQIALAPAMNQAMWRDTATQANAELLRQRGFHLFGPAAGSQACGDVGLGRMLEAEELAQRAADCFQRQALTGVHVLITAGPTQENIDPVRYITNHSSGKMGFALAEAAVEAGARVTLVTGPVHLPTPDRVQRVDVVSARDMLAACEAAMPCDLLIASAAVADYRPEVVAAHKLKKDPTSGEGLLLQLVRNPDILATLAQREDRPFSVGFAAETENLLDYAARKLKDKNLDLIVANDVANPSIGFNSDENAITVIDRDLHPSTFAQTSKGKIARQLVAFIADRLNQQ |
Consensus
[pKd Mean = 4.56] | - | 1201
(s=384) | 24
(s=2) | MQRLYRKRIVLGVGGGIAAYKSAELVRRLRDQGAEVRVVMTQGGREFITPLTLQALSGHPVHTDLLDPAAEAAMGHIELARWADLVLIAPATADLMARLVQGVANDLLTTLVLATDAQIALAPAMNQAMWRDTATQANAELLRQRGFHLFGPAAGSQACGDVGLGRMLEAEELAQRAADCFQRQALTGVHVLITAGPTQENIDPVRYITNHSSGKMGFALAEAAVEAGARVTLVTGPVHLPTPDRVQRVDVVSARDMLAACEAAMPCDLLIASAAVADYRPEVVAAHKLKKDPTSGEGLLLQLVRNPDILATLAQREDRPFSVGFAAETENLLDYAARKLKDKNLDLIVANDVANPSIGFNSDENAITVIDRDLHPSTFAQTSKGKIARQLVAFIADRLNQQ |