| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C2_S1 |
| Complex: KAN_A_9(1ND4) / Model_1(1ND4/A) = [3.8]
| Download | 2012.58 | -12.62 | MHDAATSMPPQAPSTWADYLAGYRWRGQGEGCSAATVHRLEAARRPTLFVKQEVLSAHAELPAEIARLRWLHGAGIDCPQVLNETQSDGRQWLLMSAVPGDTLSALAQRGELEPERLVRLVAAALRRLHDLDPAACPFDHRLERRLDTVRQRVEAGLVDEADFDDDHRGRSATELYRLLLDRRPAVEDLVVAHGDACLPNLLAEGRRFSGFIDCGRLGVADRHQDLALAARDIEAELGAAWAEAFLVEYGGDIDGERLAYFRLLDEFF |
| Complex: KAN_A_9(1ND4) / Model_61(1ND4/A) = [3.8]
| Download | 1865.58 | -12.62 | MHDAATSMPPQAPSTWADYLAGYRWRGQGEGCSAATVHRLEAARRPTLFVKQEVLSAHAELPAEIARLRWLHGAGIDCPQVLNETQSDGRQWLLMSAVPGDTLSALAQRGELEPERLVRLVAAALRRLHDLDPAACPFDHRLERRLDTVRQRVEAGLVDEADFDDDHRGRSATELYRLLLDRRPAVEDLVVAHGDACLPNLLAEGRRFSGFIDCGRLGVADRHQDLALAARDIEAELGAAWAEAFLVEYGGDIDGERLAYFRLLDEFF |
| Complex: KAN_A_9(1ND4) / Model_42(1ND4/A) = [3.8]
| Download | 2246.95 | -12.62 | MHDAATSMPPQAPSTWADYLAGYRWRGQGEGCSAATVHRLEAARRPTLFVKQEVLSAHAELPAEIARLRWLHGAGIDCPQVLNETQSDGRQWLLMSAVPGDTLSALAQRGELEPERLVRLVAAALRRLHDLDPAACPFDHRLERRLDTVRQRVEAGLVDEADFDDDHRGRSATELYRLLLDRRPAVEDLVVAHGDACLPNLLAEGRRFSGFIDCGRLGVADRHQDLALAARDIEAELGAAWAEAFLVEYGGDIDGERLAYFRLLDEFF |
| Complex: KAN_B_10(1ND4) / Model_21(1ND4/B) = [4.9]
| Download | 1767.25 | -12.62 | MHDAATSMPPQAPSTWADYLAGYRWRGQGEGCSAATVHRLEAARRPTLFVKQEVLSAHAELPAEIARLRWLHGAGIDCPQVLNETQSDGRQWLLMSAVPGDTLSALAQRGELEPERLVRLVAAALRRLHDLDPAACPFDHRLERRLDTVRQRVEAGLVDEADFDDDHRGRSATELYRLLLDRRPAVEDLVVAHGDACLPNLLAEGRRFSGFIDCGRLGVADRHQDLALAARDIEAELGAAWAEAFLVEYGGDIDGERLAYFRLLDEFF |
| Complex: ATP_A_4(4EJ7) / Model_9(4EJ7/A) = [6.7]
| Download | 1146.11 | 15.62 | MHDAATSMPPQAPSTWADYLAGYRWRGQGEGCSAATVHRLEAARRPTLFVKQEVLSAHAELPAEIARLRWLHGAGIDCPQVLNETQSDGRQWLLMSAVPGDTLSALAQRGELEPERLVRLVAAALRRLHDLDPAACPFDHRLERRLDTVRQRVEAGLVDEADFDDDHRGRSATELYRLLLDRRPAVEDLVVAHGDACLPNLLAEGRRFSGFIDCGRLGVADRHQDLALAARDIEAELGAAWAEAFLVEYGGDIDGERLAYFRLLDEFF |
Consensus
[pKd Mean = 4.60] | - | 1807
(s=368) | -6
(s=11) | MHDAATSMPPQAPSTWADYLAGYRWRGQGEGCSAATVHRLEAARRPTLFVKQEVLSAHAELPAEIARLRWLHGAGIDCPQVLNETQSDGRQWLLMSAVPGDTLSALAQRGELEPERLVRLVAAALRRLHDLDPAACPFDHRLERRLDTVRQRVEAGLVDEADFDDDHRGRSATELYRLLLDRRPAVEDLVVAHGDACLPNLLAEGRRFSGFIDCGRLGVADRHQDLALAARDIEAELGAAWAEAFLVEYGGDIDGERLAYFRLLDEFF |