| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C3_S1 |
| Complex: ADP_B_7(2R65) / Model_34(2R65/B) = [4.6]
| Download | 911.62 | 25.76 | MPFSKFLENLTAPFKRIKNRSLVLALGFLILTFCLLLFLILSDVSRLISSKDFLYVIQSHPKQTLIEDENYFYANKGLYKTNKEAFLRVYKIPESMPIEKRESLSKVSKIFLALLFFISSMLFGIFWRLPKRLDTKMSLESAHKNELENAFQRYDALGVRFEDIAGVNEVKEELLEVIDYLKNPKKYQDLGIFLPKGVLLVGPPGVGKTMIAKALASEARVPFFYESGSAFSQIYVGAGAKKVHELFMHAKKHAPSIIFIDEIDALGKARGGHRSDEREATLNQLLTEMDGFLQNDEVVVIGATNQMEVMDEALLRSKRFDRRIFISLPDLLERQSILEKLLENKKHALDYLKIAKICVGFSGAMLATLINESALNALKHQRKEITHGDILEVKDKIAYGKKKPQTLDENQKELVALYQSAKALSAYWLEIEFDKASLLGEFIAFNENKIHSESEIKNYIKVYLSGTIILELLYKERYSLSKQDLQKAKFLNEFMASELLLAPTKESLSVLYEEQLEFLKPQIAACKRLSALLLEQECLEHANFYDLLNG |
| Complex: ADP_B_2(1IY1) / Model_10(1IY1/A) = [5.5]
| Download | 1221.20 | 15.35 | MPFSKFLENLTAPFKRIKNRSLVLALGFLILTFCLLLFLILSDVSRLISSKDFLYVIQSHPKQTLIEDENYFYANKGLYKTNKEAFLRVYKIPESMPIEKRESLSKVSKIFLALLFFISSMLFGIFWRLPKRLDTKMSLESAHKNELENAFQRYDALGVRFEDIAGVNEVKEELLEVIDYLKNPKKYQDLGIFLPKGVLLVGPPGVGKTMIAKALASEARVPFFYESGSAFSQIYVGAGAKKVHELFMHAKKHAPSIIFIDEIDALGKARGGHRSDEREATLNQLLTEMDGFLQNDEVVVIGATNQMEVMDEALLRSKRFDRRIFISLPDLLERQSILEKLLENKKHALDYLKIAKICVGFSGAMLATLINESALNALKHQRKEITHGDILEVKDKIAYGKKKPQTLDENQKELVALYQSAKALSAYWLEIEFDKASLLGEFIAFNENKIHSESEIKNYIKVYLSGTIILELLYKERYSLSKQDLQKAKFLNEFMASELLLAPTKESLSVLYEEQLEFLKPQIAACKRLSALLLEQECLEHANFYDLLNG |
| Complex: ANP_B_2(1IY0) / Model_9(1IY0/A) = [5.7]
| Download | 1534.29 | 18.88 | MPFSKFLENLTAPFKRIKNRSLVLALGFLILTFCLLLFLILSDVSRLISSKDFLYVIQSHPKQTLIEDENYFYANKGLYKTNKEAFLRVYKIPESMPIEKRESLSKVSKIFLALLFFISSMLFGIFWRLPKRLDTKMSLESAHKNELENAFQRYDALGVRFEDIAGVNEVKEELLEVIDYLKNPKKYQDLGIFLPKGVLLVGPPGVGKTMIAKALASEARVPFFYESGSAFSQIYVGAGAKKVHELFMHAKKHAPSIIFIDEIDALGKARGGHRSDEREATLNQLLTEMDGFLQNDEVVVIGATNQMEVMDEALLRSKRFDRRIFISLPDLLERQSILEKLLENKKHALDYLKIAKICVGFSGAMLATLINESALNALKHQRKEITHGDILEVKDKIAYGKKKPQTLDENQKELVALYQSAKALSAYWLEIEFDKASLLGEFIAFNENKIHSESEIKNYIKVYLSGTIILELLYKERYSLSKQDLQKAKFLNEFMASELLLAPTKESLSVLYEEQLEFLKPQIAACKRLSALLLEQECLEHANFYDLLNG |
| Complex: ADP_C_6(3H4M) / Model_49(3H4M/C) = [6.6]
| Download | 1027.02 | 17.72 | MPFSKFLENLTAPFKRIKNRSLVLALGFLILTFCLLLFLILSDVSRLISSKDFLYVIQSHPKQTLIEDENYFYANKGLYKTNKEAFLRVYKIPESMPIEKRESLSKVSKIFLALLFFISSMLFGIFWRLPKRLDTKMSLESAHKNELENAFQRYDALGVRFEDIAGVNEVKEELLEVIDYLKNPKKYQDLGIFLPKGVLLVGPPGVGKTMIAKALASEARVPFFYESGSAFSQIYVGAGAKKVHELFMHAKKHAPSIIFIDEIDALGKARGGHRSDEREATLNQLLTEMDGFLQNDEVVVIGATNQMEVMDEALLRSKRFDRRIFISLPDLLERQSILEKLLENKKHALDYLKIAKICVGFSGAMLATLINESALNALKHQRKEITHGDILEVKDKIAYGKKKPQTLDENQKELVALYQSAKALSAYWLEIEFDKASLLGEFIAFNENKIHSESEIKNYIKVYLSGTIILELLYKERYSLSKQDLQKAKFLNEFMASELLLAPTKESLSVLYEEQLEFLKPQIAACKRLSALLLEQECLEHANFYDLLNG |
| Complex: ADP_A_4(3H4M) / Model_13(3H4M/A) = [6.9]
| Download | 1086.50 | 21.52 | MPFSKFLENLTAPFKRIKNRSLVLALGFLILTFCLLLFLILSDVSRLISSKDFLYVIQSHPKQTLIEDENYFYANKGLYKTNKEAFLRVYKIPESMPIEKRESLSKVSKIFLALLFFISSMLFGIFWRLPKRLDTKMSLESAHKNELENAFQRYDALGVRFEDIAGVNEVKEELLEVIDYLKNPKKYQDLGIFLPKGVLLVGPPGVGKTMIAKALASEARVPFFYESGSAFSQIYVGAGAKKVHELFMHAKKHAPSIIFIDEIDALGKARGGHRSDEREATLNQLLTEMDGFLQNDEVVVIGATNQMEVMDEALLRSKRFDRRIFISLPDLLERQSILEKLLENKKHALDYLKIAKICVGFSGAMLATLINESALNALKHQRKEITHGDILEVKDKIAYGKKKPQTLDENQKELVALYQSAKALSAYWLEIEFDKASLLGEFIAFNENKIHSESEIKNYIKVYLSGTIILELLYKERYSLSKQDLQKAKFLNEFMASELLLAPTKESLSVLYEEQLEFLKPQIAACKRLSALLLEQECLEHANFYDLLNG |
Consensus
[pKd Mean = 5.86] | - | 1156
(s=213) | 19
(s=3) | MPFSKFLENLTAPFKRIKNRSLVLALGFLILTFCLLLFLILSDVSRLISSKDFLYVIQSHPKQTLIEDENYFYANKGLYKTNKEAFLRVYKIPESMPIEKRESLSKVSKIFLALLFFISSMLFGIFWRLPKRLDTKMSLESAHKNELENAFQRYDALGVRFEDIAGVNEVKEELLEVIDYLKNPKKYQDLGIFLPKGVLLVGPPGVGKTMIAKALASEARVPFFYESGSAFSQIYVGAGAKKVHELFMHAKKHAPSIIFIDEIDALGKARGGHRSDEREATLNQLLTEMDGFLQNDEVVVIGATNQMEVMDEALLRSKRFDRRIFISLPDLLERQSILEKLLENKKHALDYLKIAKICVGFSGAMLATLINESALNALKHQRKEITHGDILEVKDKIAYGKKKPQTLDENQKELVALYQSAKALSAYWLEIEFDKASLLGEFIAFNENKIHSESEIKNYIKVYLSGTIILELLYKERYSLSKQDLQKAKFLNEFMASELLLAPTKESLSVLYEEQLEFLKPQIAACKRLSALLLEQECLEHANFYDLLNG |