Complexes [Theoretical pKd] | File | Volume (A3) (FPocket) | Hydrophobicity Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C5_S1 |
Complex: GOL_A_10(4H5N) / Model_55(4H5N/A) = [3.1]
| Download | 512.87 | -3.00 | MALLQIAEPGQSPKPHERRLAVGIDLGTTNSLVAAVRSGVAEPLPDAQGRLILPSAVRYHAERAEVGESARAAAAEDPFNTVISVKRLMGRGLEDVKQLGEQLPYRFRQGESHMPFIETVQGLKSPVEVSADILRELRQRAETTLGGELVGAVITVPAYFDDAQRQATKDAARLAGLNVLRLLNEPTAAAVAYGLDKGAEGLVAIYDLGGGTFDISILRLTRGVFEVLATGGDTALGGDDFDHAIAGWVIEQAGLSADLDPGSQRQLLQIACAAKERLTDEASVRVAYGDWSGELSRATLDELIEPFVARSLKSCRRAVRDSGVDLEEIRSVVMVGGSTRVPRVRTAVGELFGCEPLTDIDPDQVVAIGAAIQADALAGNKRGEELLLLDVIPLSLGLETMGGLMEKVIPRNTTIPVARAQEFTTYKDGQTAMMIHVLQGERELVKDCRSLARFELRGIPPMVAGAAKIRVTFQVDADGLLGVSARELSSGVEASIQVKPSYGLTDGEIARMLKDSFDYAGDDKAARALREQQVEAQRLLEAVQSALDVDGERLLDEEERLAIAAQMDTLRELAGGSDTAAIENQIKRLSQVTDAFAARRMDATVKAALSGRRLNEIEE |
Complex: 3BH_A_3(3FZH) / Model_79(3FZH/A) = [4.2]
| Download | 738.67 | -3.74 | MALLQIAEPGQSPKPHERRLAVGIDLGTTNSLVAAVRSGVAEPLPDAQGRLILPSAVRYHAERAEVGESARAAAAEDPFNTVISVKRLMGRGLEDVKQLGEQLPYRFRQGESHMPFIETVQGLKSPVEVSADILRELRQRAETTLGGELVGAVITVPAYFDDAQRQATKDAARLAGLNVLRLLNEPTAAAVAYGLDKGAEGLVAIYDLGGGTFDISILRLTRGVFEVLATGGDTALGGDDFDHAIAGWVIEQAGLSADLDPGSQRQLLQIACAAKERLTDEASVRVAYGDWSGELSRATLDELIEPFVARSLKSCRRAVRDSGVDLEEIRSVVMVGGSTRVPRVRTAVGELFGCEPLTDIDPDQVVAIGAAIQADALAGNKRGEELLLLDVIPLSLGLETMGGLMEKVIPRNTTIPVARAQEFTTYKDGQTAMMIHVLQGERELVKDCRSLARFELRGIPPMVAGAAKIRVTFQVDADGLLGVSARELSSGVEASIQVKPSYGLTDGEIARMLKDSFDYAGDDKAARALREQQVEAQRLLEAVQSALDVDGERLLDEEERLAIAAQMDTLRELAGGSDTAAIENQIKRLSQVTDAFAARRMDATVKAALSGRRLNEIEE |
Complex: TRS_A_5(3A8Y) / Model_90(3A8Y/A) = [4.2]
| Download | 406.35 | 7.84 | MALLQIAEPGQSPKPHERRLAVGIDLGTTNSLVAAVRSGVAEPLPDAQGRLILPSAVRYHAERAEVGESARAAAAEDPFNTVISVKRLMGRGLEDVKQLGEQLPYRFRQGESHMPFIETVQGLKSPVEVSADILRELRQRAETTLGGELVGAVITVPAYFDDAQRQATKDAARLAGLNVLRLLNEPTAAAVAYGLDKGAEGLVAIYDLGGGTFDISILRLTRGVFEVLATGGDTALGGDDFDHAIAGWVIEQAGLSADLDPGSQRQLLQIACAAKERLTDEASVRVAYGDWSGELSRATLDELIEPFVARSLKSCRRAVRDSGVDLEEIRSVVMVGGSTRVPRVRTAVGELFGCEPLTDIDPDQVVAIGAAIQADALAGNKRGEELLLLDVIPLSLGLETMGGLMEKVIPRNTTIPVARAQEFTTYKDGQTAMMIHVLQGERELVKDCRSLARFELRGIPPMVAGAAKIRVTFQVDADGLLGVSARELSSGVEASIQVKPSYGLTDGEIARMLKDSFDYAGDDKAARALREQQVEAQRLLEAVQSALDVDGERLLDEEERLAIAAQMDTLRELAGGSDTAAIENQIKRLSQVTDAFAARRMDATVKAALSGRRLNEIEE |
Complex: 3F5_A_3(3M3Z) / Model_74(3M3Z/A) = [4.2]
| Download | 704.43 | -6.05 | MALLQIAEPGQSPKPHERRLAVGIDLGTTNSLVAAVRSGVAEPLPDAQGRLILPSAVRYHAERAEVGESARAAAAEDPFNTVISVKRLMGRGLEDVKQLGEQLPYRFRQGESHMPFIETVQGLKSPVEVSADILRELRQRAETTLGGELVGAVITVPAYFDDAQRQATKDAARLAGLNVLRLLNEPTAAAVAYGLDKGAEGLVAIYDLGGGTFDISILRLTRGVFEVLATGGDTALGGDDFDHAIAGWVIEQAGLSADLDPGSQRQLLQIACAAKERLTDEASVRVAYGDWSGELSRATLDELIEPFVARSLKSCRRAVRDSGVDLEEIRSVVMVGGSTRVPRVRTAVGELFGCEPLTDIDPDQVVAIGAAIQADALAGNKRGEELLLLDVIPLSLGLETMGGLMEKVIPRNTTIPVARAQEFTTYKDGQTAMMIHVLQGERELVKDCRSLARFELRGIPPMVAGAAKIRVTFQVDADGLLGVSARELSSGVEASIQVKPSYGLTDGEIARMLKDSFDYAGDDKAARALREQQVEAQRLLEAVQSALDVDGERLLDEEERLAIAAQMDTLRELAGGSDTAAIENQIKRLSQVTDAFAARRMDATVKAALSGRRLNEIEE |
Complex: TRS_B_6(3A8Y) / Model_89(3A8Y/B) = [4.2]
| Download | 385.39 | 19.05 | MALLQIAEPGQSPKPHERRLAVGIDLGTTNSLVAAVRSGVAEPLPDAQGRLILPSAVRYHAERAEVGESARAAAAEDPFNTVISVKRLMGRGLEDVKQLGEQLPYRFRQGESHMPFIETVQGLKSPVEVSADILRELRQRAETTLGGELVGAVITVPAYFDDAQRQATKDAARLAGLNVLRLLNEPTAAAVAYGLDKGAEGLVAIYDLGGGTFDISILRLTRGVFEVLATGGDTALGGDDFDHAIAGWVIEQAGLSADLDPGSQRQLLQIACAAKERLTDEASVRVAYGDWSGELSRATLDELIEPFVARSLKSCRRAVRDSGVDLEEIRSVVMVGGSTRVPRVRTAVGELFGCEPLTDIDPDQVVAIGAAIQADALAGNKRGEELLLLDVIPLSLGLETMGGLMEKVIPRNTTIPVARAQEFTTYKDGQTAMMIHVLQGERELVKDCRSLARFELRGIPPMVAGAAKIRVTFQVDADGLLGVSARELSSGVEASIQVKPSYGLTDGEIARMLKDSFDYAGDDKAARALREQQVEAQRLLEAVQSALDVDGERLLDEEERLAIAAQMDTLRELAGGSDTAAIENQIKRLSQVTDAFAARRMDATVKAALSGRRLNEIEE |
Consensus [pKd Mean = 3.98] | - | 549 (s=147) | 2 (s=9) | MALLQIAEPGQSPKPHERRLAVGIDLGTTNSLVAAVRSGVAEPLPDAQGRLILPSAVRYHAERAEVGESARAAAAEDPFNTVISVKRLMGRGLEDVKQLGEQLPYRFRQGESHMPFIETVQGLKSPVEVSADILRELRQRAETTLGGELVGAVITVPAYFDDAQRQATKDAARLAGLNVLRLLNEPTAAAVAYGLDKGAEGLVAIYDLGGGTFDISILRLTRGVFEVLATGGDTALGGDDFDHAIAGWVIEQAGLSADLDPGSQRQLLQIACAAKERLTDEASVRVAYGDWSGELSRATLDELIEPFVARSLKSCRRAVRDSGVDLEEIRSVVMVGGSTRVPRVRTAVGELFGCEPLTDIDPDQVVAIGAAIQADALAGNKRGEELLLLDVIPLSLGLETMGGLMEKVIPRNTTIPVARAQEFTTYKDGQTAMMIHVLQGERELVKDCRSLARFELRGIPPMVAGAAKIRVTFQVDADGLLGVSARELSSGVEASIQVKPSYGLTDGEIARMLKDSFDYAGDDKAARALREQQVEAQRLLEAVQSALDVDGERLLDEEERLAIAAQMDTLRELAGGSDTAAIENQIKRLSQVTDAFAARRMDATVKAALSGRRLNEIEE |