| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C2_S1 |
| Complex: ADN_A_5(2Q83) / Model_291(2Q83/A) = [3.8]
| Download | 1105.99 | 32.00 | MREPSSLQERDPDPFSEQMIALMVAAAGIECEVLDAEPLRTGSATTYRVDVRDQEGDRRTVVFKAAVEGDATGLRREPALLRYVADHTSIPVPDVYGSHLQPDDLPAPSFVMEHVEGGSPTQASARENGDTGWPDGILDDIVRQAGRHLAALHDCGPVSGFGPITVDDGTLTVTDPASSWQSWLWELAAEIEGDTRLDGLASTVQSVLDSEIPELPDVDPVLAHYDYQPRNVVVDEGAGRVRAVLDWGGARSVHDEFELAVTEQYCSGWAPLGSDKRQRVRASLYEGYRDRRSLATDEAFRRRRRLYLLLSTVASLSWAPYWSGPRAERFVASQRSLVESLLDQGP |
| Complex: AMP_A_3(4R78) / Model_287(4R78/A) = [3.8]
| Download | 919.29 | 28.29 | MREPSSLQERDPDPFSEQMIALMVAAAGIECEVLDAEPLRTGSATTYRVDVRDQEGDRRTVVFKAAVEGDATGLRREPALLRYVADHTSIPVPDVYGSHLQPDDLPAPSFVMEHVEGGSPTQASARENGDTGWPDGILDDIVRQAGRHLAALHDCGPVSGFGPITVDDGTLTVTDPASSWQSWLWELAAEIEGDTRLDGLASTVQSVLDSEIPELPDVDPVLAHYDYQPRNVVVDEGAGRVRAVLDWGGARSVHDEFELAVTEQYCSGWAPLGSDKRQRVRASLYEGYRDRRSLATDEAFRRRRRLYLLLSTVASLSWAPYWSGPRAERFVASQRSLVESLLDQGP |
| Complex: ATP_A_8(3ATT) / Model_289(3ATT/A) = [3.9]
| Download | 1574.87 | 29.89 | MREPSSLQERDPDPFSEQMIALMVAAAGIECEVLDAEPLRTGSATTYRVDVRDQEGDRRTVVFKAAVEGDATGLRREPALLRYVADHTSIPVPDVYGSHLQPDDLPAPSFVMEHVEGGSPTQASARENGDTGWPDGILDDIVRQAGRHLAALHDCGPVSGFGPITVDDGTLTVTDPASSWQSWLWELAAEIEGDTRLDGLASTVQSVLDSEIPELPDVDPVLAHYDYQPRNVVVDEGAGRVRAVLDWGGARSVHDEFELAVTEQYCSGWAPLGSDKRQRVRASLYEGYRDRRSLATDEAFRRRRRLYLLLSTVASLSWAPYWSGPRAERFVASQRSLVESLLDQGP |
| Complex: GDP_A_2(3TDW) / Model_280(3TDW/A) = [4.2]
| Download | 912.20 | 16.87 | MREPSSLQERDPDPFSEQMIALMVAAAGIECEVLDAEPLRTGSATTYRVDVRDQEGDRRTVVFKAAVEGDATGLRREPALLRYVADHTSIPVPDVYGSHLQPDDLPAPSFVMEHVEGGSPTQASARENGDTGWPDGILDDIVRQAGRHLAALHDCGPVSGFGPITVDDGTLTVTDPASSWQSWLWELAAEIEGDTRLDGLASTVQSVLDSEIPELPDVDPVLAHYDYQPRNVVVDEGAGRVRAVLDWGGARSVHDEFELAVTEQYCSGWAPLGSDKRQRVRASLYEGYRDRRSLATDEAFRRRRRLYLLLSTVASLSWAPYWSGPRAERFVASQRSLVESLLDQGP |
Consensus
[pKd Mean = 3.92] | - | 1128
(s=269) | 26
(s=5) | MREPSSLQERDPDPFSEQMIALMVAAAGIECEVLDAEPLRTGSATTYRVDVRDQEGDRRTVVFKAAVEGDATGLRREPALLRYVADHTSIPVPDVYGSHLQPDDLPAPSFVMEHVEGGSPTQASARENGDTGWPDGILDDIVRQAGRHLAALHDCGPVSGFGPITVDDGTLTVTDPASSWQSWLWELAAEIEGDTRLDGLASTVQSVLDSEIPELPDVDPVLAHYDYQPRNVVVDEGAGRVRAVLDWGGARSVHDEFELAVTEQYCSGWAPLGSDKRQRVRASLYEGYRDRRSLATDEAFRRRRRLYLLLSTVASLSWAPYWSGPRAERFVASQRSLVESLLDQGP |