| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C2_S1 |
| Complex: ACY_C_3(1KP9) / Model_24(1KP9/B) = [4.0]
| Download | 116.96 | 13.75 | MIAQLPSELLSLQLPLRIRIGDAQAFDLGPDPQVTMVIRDPSLLTEITHPSLDALGKAYVEKRLDIEGPISQVIGIGDALSEALGEPDGGAPPVRESHDKDTDAEAIHYHYDLSNDFYQLWLDPEMVYSCAYFETGKEDLATAQLAKLRHLCRKLRLQPGEKLLDVGCGWGGLARLAAREFGVEVTGITLSKEQLALGRERVKAEGLEDRVTLKLLDYRDLPRDGRFDKVVSVGMFEHVGHANLGLYFQQLYEAVRPGGLVMNHGITSRYTDGRPVGKGAGDFIDRYVFPHGELPHLSLAVARMSEAGLEVVDVESLRLHYARTLDFWSANLEARLKEAARLVPEETLRIWRLYLAGCAYGFKRGWINLHQILAIRPHEDGSHELPWSRRDLYA |
| Complex: SAH_A_2(3HA3) / Model_10(3HA3/A) = [4.9]
| Download | 863.30 | 35.52 | MIAQLPSELLSLQLPLRIRIGDAQAFDLGPDPQVTMVIRDPSLLTEITHPSLDALGKAYVEKRLDIEGPISQVIGIGDALSEALGEPDGGAPPVRESHDKDTDAEAIHYHYDLSNDFYQLWLDPEMVYSCAYFETGKEDLATAQLAKLRHLCRKLRLQPGEKLLDVGCGWGGLARLAAREFGVEVTGITLSKEQLALGRERVKAEGLEDRVTLKLLDYRDLPRDGRFDKVVSVGMFEHVGHANLGLYFQQLYEAVRPGGLVMNHGITSRYTDGRPVGKGAGDFIDRYVFPHGELPHLSLAVARMSEAGLEVVDVESLRLHYARTLDFWSANLEARLKEAARLVPEETLRIWRLYLAGCAYGFKRGWINLHQILAIRPHEDGSHELPWSRRDLYA |
| Complex: SAH_L_12(1KPH) / Model_21(1KPH/D) = [5.1]
| Download | 756.41 | 38.82 | MIAQLPSELLSLQLPLRIRIGDAQAFDLGPDPQVTMVIRDPSLLTEITHPSLDALGKAYVEKRLDIEGPISQVIGIGDALSEALGEPDGGAPPVRESHDKDTDAEAIHYHYDLSNDFYQLWLDPEMVYSCAYFETGKEDLATAQLAKLRHLCRKLRLQPGEKLLDVGCGWGGLARLAAREFGVEVTGITLSKEQLALGRERVKAEGLEDRVTLKLLDYRDLPRDGRFDKVVSVGMFEHVGHANLGLYFQQLYEAVRPGGLVMNHGITSRYTDGRPVGKGAGDFIDRYVFPHGELPHLSLAVARMSEAGLEVVDVESLRLHYARTLDFWSANLEARLKEAARLVPEETLRIWRLYLAGCAYGFKRGWINLHQILAIRPHEDGSHELPWSRRDLYA |
| Complex: SAH_A_9(1KPG) / Model_3(1KPG/A) = [5.2]
| Download | 682.27 | 37.00 | MIAQLPSELLSLQLPLRIRIGDAQAFDLGPDPQVTMVIRDPSLLTEITHPSLDALGKAYVEKRLDIEGPISQVIGIGDALSEALGEPDGGAPPVRESHDKDTDAEAIHYHYDLSNDFYQLWLDPEMVYSCAYFETGKEDLATAQLAKLRHLCRKLRLQPGEKLLDVGCGWGGLARLAAREFGVEVTGITLSKEQLALGRERVKAEGLEDRVTLKLLDYRDLPRDGRFDKVVSVGMFEHVGHANLGLYFQQLYEAVRPGGLVMNHGITSRYTDGRPVGKGAGDFIDRYVFPHGELPHLSLAVARMSEAGLEVVDVESLRLHYARTLDFWSANLEARLKEAARLVPEETLRIWRLYLAGCAYGFKRGWINLHQILAIRPHEDGSHELPWSRRDLYA |
| Complex: SAH_E_5(1L1E) / Model_5(1L1E/A) = [5.5]
| Download | 1249.86 | 35.87 | MIAQLPSELLSLQLPLRIRIGDAQAFDLGPDPQVTMVIRDPSLLTEITHPSLDALGKAYVEKRLDIEGPISQVIGIGDALSEALGEPDGGAPPVRESHDKDTDAEAIHYHYDLSNDFYQLWLDPEMVYSCAYFETGKEDLATAQLAKLRHLCRKLRLQPGEKLLDVGCGWGGLARLAAREFGVEVTGITLSKEQLALGRERVKAEGLEDRVTLKLLDYRDLPRDGRFDKVVSVGMFEHVGHANLGLYFQQLYEAVRPGGLVMNHGITSRYTDGRPVGKGAGDFIDRYVFPHGELPHLSLAVARMSEAGLEVVDVESLRLHYARTLDFWSANLEARLKEAARLVPEETLRIWRLYLAGCAYGFKRGWINLHQILAIRPHEDGSHELPWSRRDLYA |
Consensus
[pKd Mean = 4.94] | - | 733
(s=365) | 32
(s=9) | MIAQLPSELLSLQLPLRIRIGDAQAFDLGPDPQVTMVIRDPSLLTEITHPSLDALGKAYVEKRLDIEGPISQVIGIGDALSEALGEPDGGAPPVRESHDKDTDAEAIHYHYDLSNDFYQLWLDPEMVYSCAYFETGKEDLATAQLAKLRHLCRKLRLQPGEKLLDVGCGWGGLARLAAREFGVEVTGITLSKEQLALGRERVKAEGLEDRVTLKLLDYRDLPRDGRFDKVVSVGMFEHVGHANLGLYFQQLYEAVRPGGLVMNHGITSRYTDGRPVGKGAGDFIDRYVFPHGELPHLSLAVARMSEAGLEVVDVESLRLHYARTLDFWSANLEARLKEAARLVPEETLRIWRLYLAGCAYGFKRGWINLHQILAIRPHEDGSHELPWSRRDLYA |