| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C1_S1 |
| Complex: ADP_A_3(3TIF) / Model_51(3TIF/A) = [4.1]
| Download | 670.56 | 3.56 | MYKLEVQDLHKRYGSHEVLKGVSLAAKAGDVISIIGSSGSGKSTFLRCINLLEQPHAGKILLNGEELKLVPGRDGALKAADSRQLQRMRSRLSMVFQHFNLWSHMSALENVIEAPVHVLGVSKKEAIEKAEHYLAKVGVAHRKDAYPAHMSGGEQQRVAIARALAVEPEVMLFDEPTSALDPELVGEVLKVMQDLAQEGRTMVVVTHEMGFAREVSNQLVFLHKGLVEEHGCPKEVLANPQSDRLKQFLSGSLK |
| Complex: ADP_B_8(3TIF) / Model_50(3TIF/B) = [4.2]
| Download | 661.83 | 3.56 | MYKLEVQDLHKRYGSHEVLKGVSLAAKAGDVISIIGSSGSGKSTFLRCINLLEQPHAGKILLNGEELKLVPGRDGALKAADSRQLQRMRSRLSMVFQHFNLWSHMSALENVIEAPVHVLGVSKKEAIEKAEHYLAKVGVAHRKDAYPAHMSGGEQQRVAIARALAVEPEVMLFDEPTSALDPELVGEVLKVMQDLAQEGRTMVVVTHEMGFAREVSNQLVFLHKGLVEEHGCPKEVLANPQSDRLKQFLSGSLK |
| Complex: ATP_A_6(4YMV) / Model_21(4YMV/A) = [5.2]
| Download | 1052.36 | -2.89 | MYKLEVQDLHKRYGSHEVLKGVSLAAKAGDVISIIGSSGSGKSTFLRCINLLEQPHAGKILLNGEELKLVPGRDGALKAADSRQLQRMRSRLSMVFQHFNLWSHMSALENVIEAPVHVLGVSKKEAIEKAEHYLAKVGVAHRKDAYPAHMSGGEQQRVAIARALAVEPEVMLFDEPTSALDPELVGEVLKVMQDLAQEGRTMVVVTHEMGFAREVSNQLVFLHKGLVEEHGCPKEVLANPQSDRLKQFLSGSLK |
| Complex: AGS_B_6(3C4J) / Model_24(3C4J/B) = [5.3]
| Download | 1331.52 | 6.56 | MYKLEVQDLHKRYGSHEVLKGVSLAAKAGDVISIIGSSGSGKSTFLRCINLLEQPHAGKILLNGEELKLVPGRDGALKAADSRQLQRMRSRLSMVFQHFNLWSHMSALENVIEAPVHVLGVSKKEAIEKAEHYLAKVGVAHRKDAYPAHMSGGEQQRVAIARALAVEPEVMLFDEPTSALDPELVGEVLKVMQDLAQEGRTMVVVTHEMGFAREVSNQLVFLHKGLVEEHGCPKEVLANPQSDRLKQFLSGSLK |
| Complex: ATP_A_5(1B0U) / Model_102(1B0U/A) = [5.7]
| Download | 921.12 | -0.69 | MYKLEVQDLHKRYGSHEVLKGVSLAAKAGDVISIIGSSGSGKSTFLRCINLLEQPHAGKILLNGEELKLVPGRDGALKAADSRQLQRMRSRLSMVFQHFNLWSHMSALENVIEAPVHVLGVSKKEAIEKAEHYLAKVGVAHRKDAYPAHMSGGEQQRVAIARALAVEPEVMLFDEPTSALDPELVGEVLKVMQDLAQEGRTMVVVTHEMGFAREVSNQLVFLHKGLVEEHGCPKEVLANPQSDRLKQFLSGSLK |
Consensus
[pKd Mean = 4.90] | - | 927
(s=251) | 2
(s=3) | MYKLEVQDLHKRYGSHEVLKGVSLAAKAGDVISIIGSSGSGKSTFLRCINLLEQPHAGKILLNGEELKLVPGRDGALKAADSRQLQRMRSRLSMVFQHFNLWSHMSALENVIEAPVHVLGVSKKEAIEKAEHYLAKVGVAHRKDAYPAHMSGGEQQRVAIARALAVEPEVMLFDEPTSALDPELVGEVLKVMQDLAQEGRTMVVVTHEMGFAREVSNQLVFLHKGLVEEHGCPKEVLANPQSDRLKQFLSGSLK |