| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C1_S1 |
| Complex: ADP_B_4(4RZ3) / Model_53(4RZ3/A) = [3.3]
| Download | 856.25 | -3.71 | MQMNRYDQAATLRAKMEKRERVLPMVYSQKAKTLAVISGKGGVGKSNITLNMALALQDKGKKVLLIDLDIGMGNIDILIGNSSSATIIDVLTDRKPLLQSLSVGPKGLRYISGGTGLDVMFQLDQRKWTFFANELSHALSQFDYVLFDMGAGLSKDQLPFILSAEDILIITTPEPTAIMDAYSAVKHLVLTENKLSMKVAVNRCRDQKEGLDAFARLSRTIHMFLDVQVQFAGSVSDDVIVSKAVVEQVPFFIKSPQAKASRSVRILADALFEREETRHKEDKQTFIEKLSSFLMRRA |
| Complex: ADP_A_3(4RZ3) / Model_21(4RZ3/B) = [3.3]
| Download | 802.76 | 12.50 | MQMNRYDQAATLRAKMEKRERVLPMVYSQKAKTLAVISGKGGVGKSNITLNMALALQDKGKKVLLIDLDIGMGNIDILIGNSSSATIIDVLTDRKPLLQSLSVGPKGLRYISGGTGLDVMFQLDQRKWTFFANELSHALSQFDYVLFDMGAGLSKDQLPFILSAEDILIITTPEPTAIMDAYSAVKHLVLTENKLSMKVAVNRCRDQKEGLDAFARLSRTIHMFLDVQVQFAGSVSDDVIVSKAVVEQVPFFIKSPQAKASRSVRILADALFEREETRHKEDKQTFIEKLSSFLMRRA |
| Complex: ADP_B_5(4V03) / Model_22(4V03/B) = [6.6]
| Download | 1197.37 | -0.21 | MQMNRYDQAATLRAKMEKRERVLPMVYSQKAKTLAVISGKGGVGKSNITLNMALALQDKGKKVLLIDLDIGMGNIDILIGNSSSATIIDVLTDRKPLLQSLSVGPKGLRYISGGTGLDVMFQLDQRKWTFFANELSHALSQFDYVLFDMGAGLSKDQLPFILSAEDILIITTPEPTAIMDAYSAVKHLVLTENKLSMKVAVNRCRDQKEGLDAFARLSRTIHMFLDVQVQFAGSVSDDVIVSKAVVEQVPFFIKSPQAKASRSVRILADALFEREETRHKEDKQTFIEKLSSFLMRRA |
| Complex: ATP_A_6(4V02) / Model_5(4V02/A) = [6.8]
| Download | 1286.13 | 3.95 | MQMNRYDQAATLRAKMEKRERVLPMVYSQKAKTLAVISGKGGVGKSNITLNMALALQDKGKKVLLIDLDIGMGNIDILIGNSSSATIIDVLTDRKPLLQSLSVGPKGLRYISGGTGLDVMFQLDQRKWTFFANELSHALSQFDYVLFDMGAGLSKDQLPFILSAEDILIITTPEPTAIMDAYSAVKHLVLTENKLSMKVAVNRCRDQKEGLDAFARLSRTIHMFLDVQVQFAGSVSDDVIVSKAVVEQVPFFIKSPQAKASRSVRILADALFEREETRHKEDKQTFIEKLSSFLMRRA |
| Complex: ADP_A_3(4V03) / Model_4(4V03/A) = [7.0]
| Download | 1371.30 | -0.21 | MQMNRYDQAATLRAKMEKRERVLPMVYSQKAKTLAVISGKGGVGKSNITLNMALALQDKGKKVLLIDLDIGMGNIDILIGNSSSATIIDVLTDRKPLLQSLSVGPKGLRYISGGTGLDVMFQLDQRKWTFFANELSHALSQFDYVLFDMGAGLSKDQLPFILSAEDILIITTPEPTAIMDAYSAVKHLVLTENKLSMKVAVNRCRDQKEGLDAFARLSRTIHMFLDVQVQFAGSVSDDVIVSKAVVEQVPFFIKSPQAKASRSVRILADALFEREETRHKEDKQTFIEKLSSFLMRRA |
Consensus
[pKd Mean = 5.40] | - | 1102
(s=230) | 2
(s=5) | MQMNRYDQAATLRAKMEKRERVLPMVYSQKAKTLAVISGKGGVGKSNITLNMALALQDKGKKVLLIDLDIGMGNIDILIGNSSSATIIDVLTDRKPLLQSLSVGPKGLRYISGGTGLDVMFQLDQRKWTFFANELSHALSQFDYVLFDMGAGLSKDQLPFILSAEDILIITTPEPTAIMDAYSAVKHLVLTENKLSMKVAVNRCRDQKEGLDAFARLSRTIHMFLDVQVQFAGSVSDDVIVSKAVVEQVPFFIKSPQAKASRSVRILADALFEREETRHKEDKQTFIEKLSSFLMRRA |