| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C4_S1 |
| Complex: HSE_B_7(4XB2) / Model_27(4XB2/B) = [3.1]
| Download | 728.76 | 10.14 | VEAKLQVGVLGFGTVGSGVIHILEEHQEKISQVTGYNISVKKVLVRDLEKNRRYETKGFELTTNPSDVLDDPEIAVVVEVMGSITTAREYILQALKAGKHVVTANKDLIALHGDELVAVAQANNCDLFYEASVAGGIPILRTIVNSLAADKIQKVMGIVNGTTNFMLTKMTTEKKSYEDVLAEAQALGFAESDPTNDVDGIDAARKMVIMTRLAFGMNVNLDNVETNGIRGISPEDIEVAYQLGYKIKLVGTAEETNGTVNVNVGPVLLPKAHPLAGVNYENNAVFVTGAAVGETMFYGPGAGELPTATSVVSDLITVAKNSRLGTNGNAFNSYKHETKHTPKEQVFSKYYLRLTMDDKTGTFLKLTQIFAEAGVGFDKILQQPYDDFTATVVIVTHSTSQAQLEQAIARVKDEPEMQMLAKYSVVEG |
| Complex: GOL_B_15(2EJW) / Model_25(2EJW/B) = [3.1]
| Download | 588.65 | 5.56 | VEAKLQVGVLGFGTVGSGVIHILEEHQEKISQVTGYNISVKKVLVRDLEKNRRYETKGFELTTNPSDVLDDPEIAVVVEVMGSITTAREYILQALKAGKHVVTANKDLIALHGDELVAVAQANNCDLFYEASVAGGIPILRTIVNSLAADKIQKVMGIVNGTTNFMLTKMTTEKKSYEDVLAEAQALGFAESDPTNDVDGIDAARKMVIMTRLAFGMNVNLDNVETNGIRGISPEDIEVAYQLGYKIKLVGTAEETNGTVNVNVGPVLLPKAHPLAGVNYENNAVFVTGAAVGETMFYGPGAGELPTATSVVSDLITVAKNSRLGTNGNAFNSYKHETKHTPKEQVFSKYYLRLTMDDKTGTFLKLTQIFAEAGVGFDKILQQPYDDFTATVVIVTHSTSQAQLEQAIARVKDEPEMQMLAKYSVVEG |
| Complex: DMS_B_26(4PG4) / Model_22(4PG4/B) = [3.3]
| Download | 359.52 | 26.82 | VEAKLQVGVLGFGTVGSGVIHILEEHQEKISQVTGYNISVKKVLVRDLEKNRRYETKGFELTTNPSDVLDDPEIAVVVEVMGSITTAREYILQALKAGKHVVTANKDLIALHGDELVAVAQANNCDLFYEASVAGGIPILRTIVNSLAADKIQKVMGIVNGTTNFMLTKMTTEKKSYEDVLAEAQALGFAESDPTNDVDGIDAARKMVIMTRLAFGMNVNLDNVETNGIRGISPEDIEVAYQLGYKIKLVGTAEETNGTVNVNVGPVLLPKAHPLAGVNYENNAVFVTGAAVGETMFYGPGAGELPTATSVVSDLITVAKNSRLGTNGNAFNSYKHETKHTPKEQVFSKYYLRLTMDDKTGTFLKLTQIFAEAGVGFDKILQQPYDDFTATVVIVTHSTSQAQLEQAIARVKDEPEMQMLAKYSVVEG |
| Complex: HSE_A_4(4XB2) / Model_7(4XB2/A) = [3.3]
| Download | 618.27 | 15.32 | VEAKLQVGVLGFGTVGSGVIHILEEHQEKISQVTGYNISVKKVLVRDLEKNRRYETKGFELTTNPSDVLDDPEIAVVVEVMGSITTAREYILQALKAGKHVVTANKDLIALHGDELVAVAQANNCDLFYEASVAGGIPILRTIVNSLAADKIQKVMGIVNGTTNFMLTKMTTEKKSYEDVLAEAQALGFAESDPTNDVDGIDAARKMVIMTRLAFGMNVNLDNVETNGIRGISPEDIEVAYQLGYKIKLVGTAEETNGTVNVNVGPVLLPKAHPLAGVNYENNAVFVTGAAVGETMFYGPGAGELPTATSVVSDLITVAKNSRLGTNGNAFNSYKHETKHTPKEQVFSKYYLRLTMDDKTGTFLKLTQIFAEAGVGFDKILQQPYDDFTATVVIVTHSTSQAQLEQAIARVKDEPEMQMLAKYSVVEG |
| Complex: MPD_B_9(4XB1) / Model_26(4XB1/B) = [3.8]
| Download | 653.64 | 13.71 | VEAKLQVGVLGFGTVGSGVIHILEEHQEKISQVTGYNISVKKVLVRDLEKNRRYETKGFELTTNPSDVLDDPEIAVVVEVMGSITTAREYILQALKAGKHVVTANKDLIALHGDELVAVAQANNCDLFYEASVAGGIPILRTIVNSLAADKIQKVMGIVNGTTNFMLTKMTTEKKSYEDVLAEAQALGFAESDPTNDVDGIDAARKMVIMTRLAFGMNVNLDNVETNGIRGISPEDIEVAYQLGYKIKLVGTAEETNGTVNVNVGPVLLPKAHPLAGVNYENNAVFVTGAAVGETMFYGPGAGELPTATSVVSDLITVAKNSRLGTNGNAFNSYKHETKHTPKEQVFSKYYLRLTMDDKTGTFLKLTQIFAEAGVGFDKILQQPYDDFTATVVIVTHSTSQAQLEQAIARVKDEPEMQMLAKYSVVEG |
Consensus
[pKd Mean = 3.32] | - | 589
(s=124) | 14
(s=7) | VEAKLQVGVLGFGTVGSGVIHILEEHQEKISQVTGYNISVKKVLVRDLEKNRRYETKGFELTTNPSDVLDDPEIAVVVEVMGSITTAREYILQALKAGKHVVTANKDLIALHGDELVAVAQANNCDLFYEASVAGGIPILRTIVNSLAADKIQKVMGIVNGTTNFMLTKMTTEKKSYEDVLAEAQALGFAESDPTNDVDGIDAARKMVIMTRLAFGMNVNLDNVETNGIRGISPEDIEVAYQLGYKIKLVGTAEETNGTVNVNVGPVLLPKAHPLAGVNYENNAVFVTGAAVGETMFYGPGAGELPTATSVVSDLITVAKNSRLGTNGNAFNSYKHETKHTPKEQVFSKYYLRLTMDDKTGTFLKLTQIFAEAGVGFDKILQQPYDDFTATVVIVTHSTSQAQLEQAIARVKDEPEMQMLAKYSVVEG |