Complexes [Theoretical pKd] | File | Volume (A3) (FPocket) | Hydrophobicity Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C5_S1 |
Complex: ADP_C_3(1T6X) / Model_10(1T6X/A) = [4.7]
| Download | 939.79 | 43.47 | MRRRLAIVQRWRGQDEIPTDWGRCVLTIGVFDGVHRGHAELIAHAVKAGRARGVPAVLMTFDPHPMEVVYPGSHPAQLTTLTRRAELVQDLGIEVFLVMPFTTDFMKLTPDRFIHELLVEHLHVVEVVVGENFTFGKKAAGNVDTLRRAGERFGFAVESMSLVSEHHSNETVTFSSTYIRSCVDAGDMVAAMEALGRPHRVEGVVVRGEGRGAELGFPTANVAPPMYSAIPADGVYAAWFTVLGHGPVTGTVVPGERYQAAVSVGTNPTFSGRTRTVEAFVLDTTADLYGQHVALDFVGRIRGQKKFESVRQLVAAMGADTERARDLLSTG |
Complex: ADP_C_3(1T6Y) / Model_11(1T6Y/A) = [5.2]
| Download | 1000.49 | 32.63 | MRRRLAIVQRWRGQDEIPTDWGRCVLTIGVFDGVHRGHAELIAHAVKAGRARGVPAVLMTFDPHPMEVVYPGSHPAQLTTLTRRAELVQDLGIEVFLVMPFTTDFMKLTPDRFIHELLVEHLHVVEVVVGENFTFGKKAAGNVDTLRRAGERFGFAVESMSLVSEHHSNETVTFSSTYIRSCVDAGDMVAAMEALGRPHRVEGVVVRGEGRGAELGFPTANVAPPMYSAIPADGVYAAWFTVLGHGPVTGTVVPGERYQAAVSVGTNPTFSGRTRTVEAFVLDTTADLYGQHVALDFVGRIRGQKKFESVRQLVAAMGADTERARDLLSTG |
Complex: LUM_B_5(1S4M) / Model_33(1S4M/B) = [5.5]
| Download | 734.59 | 31.35 | MRRRLAIVQRWRGQDEIPTDWGRCVLTIGVFDGVHRGHAELIAHAVKAGRARGVPAVLMTFDPHPMEVVYPGSHPAQLTTLTRRAELVQDLGIEVFLVMPFTTDFMKLTPDRFIHELLVEHLHVVEVVVGENFTFGKKAAGNVDTLRRAGERFGFAVESMSLVSEHHSNETVTFSSTYIRSCVDAGDMVAAMEALGRPHRVEGVVVRGEGRGAELGFPTANVAPPMYSAIPADGVYAAWFTVLGHGPVTGTVVPGERYQAAVSVGTNPTFSGRTRTVEAFVLDTTADLYGQHVALDFVGRIRGQKKFESVRQLVAAMGADTERARDLLSTG |
Complex: FMN_A_4(1P4M) / Model_18(1P4M/A) = [5.9]
| Download | 1535.93 | 25.07 | MRRRLAIVQRWRGQDEIPTDWGRCVLTIGVFDGVHRGHAELIAHAVKAGRARGVPAVLMTFDPHPMEVVYPGSHPAQLTTLTRRAELVQDLGIEVFLVMPFTTDFMKLTPDRFIHELLVEHLHVVEVVVGENFTFGKKAAGNVDTLRRAGERFGFAVESMSLVSEHHSNETVTFSSTYIRSCVDAGDMVAAMEALGRPHRVEGVVVRGEGRGAELGFPTANVAPPMYSAIPADGVYAAWFTVLGHGPVTGTVVPGERYQAAVSVGTNPTFSGRTRTVEAFVLDTTADLYGQHVALDFVGRIRGQKKFESVRQLVAAMGADTERARDLLSTG |
Complex: ADP_A_5(5A88) / Model_6(5A88/A) = [6.6]
| Download | 673.25 | 21.32 | MRRRLAIVQRWRGQDEIPTDWGRCVLTIGVFDGVHRGHAELIAHAVKAGRARGVPAVLMTFDPHPMEVVYPGSHPAQLTTLTRRAELVQDLGIEVFLVMPFTTDFMKLTPDRFIHELLVEHLHVVEVVVGENFTFGKKAAGNVDTLRRAGERFGFAVESMSLVSEHHSNETVTFSSTYIRSCVDAGDMVAAMEALGRPHRVEGVVVRGEGRGAELGFPTANVAPPMYSAIPADGVYAAWFTVLGHGPVTGTVVPGERYQAAVSVGTNPTFSGRTRTVEAFVLDTTADLYGQHVALDFVGRIRGQKKFESVRQLVAAMGADTERARDLLSTG |
Consensus [pKd Mean = 5.58] | - | 976 (s=305) | 30 (s=7) | MRRRLAIVQRWRGQDEIPTDWGRCVLTIGVFDGVHRGHAELIAHAVKAGRARGVPAVLMTFDPHPMEVVYPGSHPAQLTTLTRRAELVQDLGIEVFLVMPFTTDFMKLTPDRFIHELLVEHLHVVEVVVGENFTFGKKAAGNVDTLRRAGERFGFAVESMSLVSEHHSNETVTFSSTYIRSCVDAGDMVAAMEALGRPHRVEGVVVRGEGRGAELGFPTANVAPPMYSAIPADGVYAAWFTVLGHGPVTGTVVPGERYQAAVSVGTNPTFSGRTRTVEAFVLDTTADLYGQHVALDFVGRIRGQKKFESVRQLVAAMGADTERARDLLSTG |