Complexes [Theoretical pKd] | File | Volume (A3) (FPocket) | Hydrophobicity Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C8_S1 |
Complex: ATP_A_3(4WZY) / Model_6(4WZY/A) = [3.5]
| Download | 1286.60 | 22.78 | MIDTDSLKNARFYATKTEPITDVDIVAEAPLERPELIKGKDAPGILTFARVHREGGSDLYQLVVDKQGRDILGEEETARAAGKQLSNGYAVGSGVLHKLTDPALPPVETVRAVGEQSNTSWIYNDRVIVKYFRRLTPTPNPEIELLEELTAAGCTHSAPLRGWTSVDIEGHTYVTAMLQDLVPGTDGYDYVTGTPDAFDATALGEAIRDVHTVLASTCETGTLAPGALATNLDRRLTGLVGRAPQLKEYEEKIRALYSTLAETSVPTQRIHGDLHLGQTLVDGDSWALIDFEGEPAASLEERRRPDSPLRDVAGMIRSFGYAAAASGQDQSWADARTAELIAGYGEADEAILRAYIADKCAYEVVYELENRPHMVHVPLDALASLV |
Complex: ACP_A_2(4U98) / Model_19(4U98/A) = [4.6]
| Download | 1647.13 | 16.44 | MIDTDSLKNARFYATKTEPITDVDIVAEAPLERPELIKGKDAPGILTFARVHREGGSDLYQLVVDKQGRDILGEEETARAAGKQLSNGYAVGSGVLHKLTDPALPPVETVRAVGEQSNTSWIYNDRVIVKYFRRLTPTPNPEIELLEELTAAGCTHSAPLRGWTSVDIEGHTYVTAMLQDLVPGTDGYDYVTGTPDAFDATALGEAIRDVHTVLASTCETGTLAPGALATNLDRRLTGLVGRAPQLKEYEEKIRALYSTLAETSVPTQRIHGDLHLGQTLVDGDSWALIDFEGEPAASLEERRRPDSPLRDVAGMIRSFGYAAAASGQDQSWADARTAELIAGYGEADEAILRAYIADKCAYEVVYELENRPHMVHVPLDALASLV |
Complex: ACP_A_2(4U98) / Model_5(4U98/A) = [4.7]
| Download | 1929.03 | 25.81 | MIDTDSLKNARFYATKTEPITDVDIVAEAPLERPELIKGKDAPGILTFARVHREGGSDLYQLVVDKQGRDILGEEETARAAGKQLSNGYAVGSGVLHKLTDPALPPVETVRAVGEQSNTSWIYNDRVIVKYFRRLTPTPNPEIELLEELTAAGCTHSAPLRGWTSVDIEGHTYVTAMLQDLVPGTDGYDYVTGTPDAFDATALGEAIRDVHTVLASTCETGTLAPGALATNLDRRLTGLVGRAPQLKEYEEKIRALYSTLAETSVPTQRIHGDLHLGQTLVDGDSWALIDFEGEPAASLEERRRPDSPLRDVAGMIRSFGYAAAASGQDQSWADARTAELIAGYGEADEAILRAYIADKCAYEVVYELENRPHMVHVPLDALASLV |
Complex: MAL_B_6(4O7P) / Model_14(4O7P/B) = [5.1]
| Download | 830.00 | 13.83 | MIDTDSLKNARFYATKTEPITDVDIVAEAPLERPELIKGKDAPGILTFARVHREGGSDLYQLVVDKQGRDILGEEETARAAGKQLSNGYAVGSGVLHKLTDPALPPVETVRAVGEQSNTSWIYNDRVIVKYFRRLTPTPNPEIELLEELTAAGCTHSAPLRGWTSVDIEGHTYVTAMLQDLVPGTDGYDYVTGTPDAFDATALGEAIRDVHTVLASTCETGTLAPGALATNLDRRLTGLVGRAPQLKEYEEKIRALYSTLAETSVPTQRIHGDLHLGQTLVDGDSWALIDFEGEPAASLEERRRPDSPLRDVAGMIRSFGYAAAASGQDQSWADARTAELIAGYGEADEAILRAYIADKCAYEVVYELENRPHMVHVPLDALASLV |
Complex: MAL_B_6(4O7P) / Model_18(4O7P/B) = [5.2]
| Download | 889.23 | 21.48 | MIDTDSLKNARFYATKTEPITDVDIVAEAPLERPELIKGKDAPGILTFARVHREGGSDLYQLVVDKQGRDILGEEETARAAGKQLSNGYAVGSGVLHKLTDPALPPVETVRAVGEQSNTSWIYNDRVIVKYFRRLTPTPNPEIELLEELTAAGCTHSAPLRGWTSVDIEGHTYVTAMLQDLVPGTDGYDYVTGTPDAFDATALGEAIRDVHTVLASTCETGTLAPGALATNLDRRLTGLVGRAPQLKEYEEKIRALYSTLAETSVPTQRIHGDLHLGQTLVDGDSWALIDFEGEPAASLEERRRPDSPLRDVAGMIRSFGYAAAASGQDQSWADARTAELIAGYGEADEAILRAYIADKCAYEVVYELENRPHMVHVPLDALASLV |
Consensus [pKd Mean = 4.62] | - | 1316 (s=425) | 20 (s=4) | MIDTDSLKNARFYATKTEPITDVDIVAEAPLERPELIKGKDAPGILTFARVHREGGSDLYQLVVDKQGRDILGEEETARAAGKQLSNGYAVGSGVLHKLTDPALPPVETVRAVGEQSNTSWIYNDRVIVKYFRRLTPTPNPEIELLEELTAAGCTHSAPLRGWTSVDIEGHTYVTAMLQDLVPGTDGYDYVTGTPDAFDATALGEAIRDVHTVLASTCETGTLAPGALATNLDRRLTGLVGRAPQLKEYEEKIRALYSTLAETSVPTQRIHGDLHLGQTLVDGDSWALIDFEGEPAASLEERRRPDSPLRDVAGMIRSFGYAAAASGQDQSWADARTAELIAGYGEADEAILRAYIADKCAYEVVYELENRPHMVHVPLDALASLV |