| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C7_S1 |
| Complex: HEM_A_2(4DXY) / Model_63(4DXY/A) = [11.9]
| Download | 572.05 | 39.77 | MTTPGEDHAGSFYLPRLEYSTLPMAVDRGVGWKTLRDAGPVVFMNGWYYLTRREDVLAALRNPKVFSSRKALQPPGNPLPVVPLAFDPPEHTRYRRILQPYFSPAALSKALPSLRRHTVAMIDAIAGRGECEAMADLANLFPFQLFLVLYGLPLEDRDRLIGWKDAVIAMSDRPHPTEADVAAARELLEYLTAMVAERRRNPGPDVLSQVQIGEDPLSEIEVLGLSHLLILAGLDTVTAAVGFSLLELARRPQLRAMLRDNPKQIRVFIEEIVRLEPSAPVAPRVTTEPVTVGGMTLPAGSPVRLCMAAVNRDGSDAMSTDELVMDGKVHRHWGFGGGPHRCLGSHLARLELTLLVGEWLNQIPDFELAPDYAPEIRFPSKSFALKNLPLRWS |
| Complex: HEM_A_2(3NV5) / Model_62(3NV5/A) = [12.1]
| Download | 503.24 | 40.92 | MTTPGEDHAGSFYLPRLEYSTLPMAVDRGVGWKTLRDAGPVVFMNGWYYLTRREDVLAALRNPKVFSSRKALQPPGNPLPVVPLAFDPPEHTRYRRILQPYFSPAALSKALPSLRRHTVAMIDAIAGRGECEAMADLANLFPFQLFLVLYGLPLEDRDRLIGWKDAVIAMSDRPHPTEADVAAARELLEYLTAMVAERRRNPGPDVLSQVQIGEDPLSEIEVLGLSHLLILAGLDTVTAAVGFSLLELARRPQLRAMLRDNPKQIRVFIEEIVRLEPSAPVAPRVTTEPVTVGGMTLPAGSPVRLCMAAVNRDGSDAMSTDELVMDGKVHRHWGFGGGPHRCLGSHLARLELTLLVGEWLNQIPDFELAPDYAPEIRFPSKSFALKNLPLRWS |
| Complex: HEM_A_2(3NV6) / Model_61(3NV6/A) = [12.2]
| Download | 599.92 | 38.44 | MTTPGEDHAGSFYLPRLEYSTLPMAVDRGVGWKTLRDAGPVVFMNGWYYLTRREDVLAALRNPKVFSSRKALQPPGNPLPVVPLAFDPPEHTRYRRILQPYFSPAALSKALPSLRRHTVAMIDAIAGRGECEAMADLANLFPFQLFLVLYGLPLEDRDRLIGWKDAVIAMSDRPHPTEADVAAARELLEYLTAMVAERRRNPGPDVLSQVQIGEDPLSEIEVLGLSHLLILAGLDTVTAAVGFSLLELARRPQLRAMLRDNPKQIRVFIEEIVRLEPSAPVAPRVTTEPVTVGGMTLPAGSPVRLCMAAVNRDGSDAMSTDELVMDGKVHRHWGFGGGPHRCLGSHLARLELTLLVGEWLNQIPDFELAPDYAPEIRFPSKSFALKNLPLRWS |
Consensus
[pKd Mean = 12.07] | - | 558
(s=40) | 39
(s=1) | MTTPGEDHAGSFYLPRLEYSTLPMAVDRGVGWKTLRDAGPVVFMNGWYYLTRREDVLAALRNPKVFSSRKALQPPGNPLPVVPLAFDPPEHTRYRRILQPYFSPAALSKALPSLRRHTVAMIDAIAGRGECEAMADLANLFPFQLFLVLYGLPLEDRDRLIGWKDAVIAMSDRPHPTEADVAAARELLEYLTAMVAERRRNPGPDVLSQVQIGEDPLSEIEVLGLSHLLILAGLDTVTAAVGFSLLELARRPQLRAMLRDNPKQIRVFIEEIVRLEPSAPVAPRVTTEPVTVGGMTLPAGSPVRLCMAAVNRDGSDAMSTDELVMDGKVHRHWGFGGGPHRCLGSHLARLELTLLVGEWLNQIPDFELAPDYAPEIRFPSKSFALKNLPLRWS |