| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C5_S1 |
| Complex: EDO_C_26(3R9B) / Model_22(3R9B/C) = [3.1]
| Download | 608.16 | -5.43 | MTNQTARSSKKERYANLIPMEELHSEKDRLFPFPIYDKLRRESPVRYDPLRDCWDVFKYDDVQFVLKNPKLFSSKRGIQTESILTMDPPKHTKLRALVSRAFTPKAVKQLETRIKDVTAFLLQEARQKSTIDIIEDFAGPLPVIIIAEMLGAPIEDRHLIKTYSDVLVAGAKDSSDKAVADMVHNRRDGHAFLSDYFRDILSKRRAEPKEDLMTMLLQAEIDGEYLTEEQLIGFCILLLVAGNETTTNLIANAVRYLTEDSVVQQQVRQNTDNVANVIEETLRYYSPVQAIGRVATEDTELGGVFIKKGSSVISWIASANRDEDKFCKPDCFKIDRPSYPHLSFGFGIHFCLGAPLARLEANIALSSLLSMSACIEKAAHDEKLEAIPSPFVFGVKRLPVRITFK |
| Complex: D12_A_14(3R9B) / Model_12(3R9B/A) = [3.3]
| Download | 1095.02 | 24.54 | MTNQTARSSKKERYANLIPMEELHSEKDRLFPFPIYDKLRRESPVRYDPLRDCWDVFKYDDVQFVLKNPKLFSSKRGIQTESILTMDPPKHTKLRALVSRAFTPKAVKQLETRIKDVTAFLLQEARQKSTIDIIEDFAGPLPVIIIAEMLGAPIEDRHLIKTYSDVLVAGAKDSSDKAVADMVHNRRDGHAFLSDYFRDILSKRRAEPKEDLMTMLLQAEIDGEYLTEEQLIGFCILLLVAGNETTTNLIANAVRYLTEDSVVQQQVRQNTDNVANVIEETLRYYSPVQAIGRVATEDTELGGVFIKKGSSVISWIASANRDEDKFCKPDCFKIDRPSYPHLSFGFGIHFCLGAPLARLEANIALSSLLSMSACIEKAAHDEKLEAIPSPFVFGVKRLPVRITFK |
| Complex: CL6_A_3(2XFH) / Model_10(2XFH/A) = [3.8]
| Download | 1353.05 | 28.88 | MTNQTARSSKKERYANLIPMEELHSEKDRLFPFPIYDKLRRESPVRYDPLRDCWDVFKYDDVQFVLKNPKLFSSKRGIQTESILTMDPPKHTKLRALVSRAFTPKAVKQLETRIKDVTAFLLQEARQKSTIDIIEDFAGPLPVIIIAEMLGAPIEDRHLIKTYSDVLVAGAKDSSDKAVADMVHNRRDGHAFLSDYFRDILSKRRAEPKEDLMTMLLQAEIDGEYLTEEQLIGFCILLLVAGNETTTNLIANAVRYLTEDSVVQQQVRQNTDNVANVIEETLRYYSPVQAIGRVATEDTELGGVFIKKGSSVISWIASANRDEDKFCKPDCFKIDRPSYPHLSFGFGIHFCLGAPLARLEANIALSSLLSMSACIEKAAHDEKLEAIPSPFVFGVKRLPVRITFK |
| Complex: HEM_C_10(2RFB) / Model_95(2RFB/C) = [11.2]
| Download | 467.10 | 30.62 | MTNQTARSSKKERYANLIPMEELHSEKDRLFPFPIYDKLRRESPVRYDPLRDCWDVFKYDDVQFVLKNPKLFSSKRGIQTESILTMDPPKHTKLRALVSRAFTPKAVKQLETRIKDVTAFLLQEARQKSTIDIIEDFAGPLPVIIIAEMLGAPIEDRHLIKTYSDVLVAGAKDSSDKAVADMVHNRRDGHAFLSDYFRDILSKRRAEPKEDLMTMLLQAEIDGEYLTEEQLIGFCILLLVAGNETTTNLIANAVRYLTEDSVVQQQVRQNTDNVANVIEETLRYYSPVQAIGRVATEDTELGGVFIKKGSSVISWIASANRDEDKFCKPDCFKIDRPSYPHLSFGFGIHFCLGAPLARLEANIALSSLLSMSACIEKAAHDEKLEAIPSPFVFGVKRLPVRITFK |
| Complex: HEM_A_2(2Z3U) / Model_101(2Z3U/A) = [11.4]
| Download | 458.12 | 28.61 | MTNQTARSSKKERYANLIPMEELHSEKDRLFPFPIYDKLRRESPVRYDPLRDCWDVFKYDDVQFVLKNPKLFSSKRGIQTESILTMDPPKHTKLRALVSRAFTPKAVKQLETRIKDVTAFLLQEARQKSTIDIIEDFAGPLPVIIIAEMLGAPIEDRHLIKTYSDVLVAGAKDSSDKAVADMVHNRRDGHAFLSDYFRDILSKRRAEPKEDLMTMLLQAEIDGEYLTEEQLIGFCILLLVAGNETTTNLIANAVRYLTEDSVVQQQVRQNTDNVANVIEETLRYYSPVQAIGRVATEDTELGGVFIKKGSSVISWIASANRDEDKFCKPDCFKIDRPSYPHLSFGFGIHFCLGAPLARLEANIALSSLLSMSACIEKAAHDEKLEAIPSPFVFGVKRLPVRITFK |
Consensus
[pKd Mean = 6.56] | - | 796
(s=362) | 21
(s=13) | MTNQTARSSKKERYANLIPMEELHSEKDRLFPFPIYDKLRRESPVRYDPLRDCWDVFKYDDVQFVLKNPKLFSSKRGIQTESILTMDPPKHTKLRALVSRAFTPKAVKQLETRIKDVTAFLLQEARQKSTIDIIEDFAGPLPVIIIAEMLGAPIEDRHLIKTYSDVLVAGAKDSSDKAVADMVHNRRDGHAFLSDYFRDILSKRRAEPKEDLMTMLLQAEIDGEYLTEEQLIGFCILLLVAGNETTTNLIANAVRYLTEDSVVQQQVRQNTDNVANVIEETLRYYSPVQAIGRVATEDTELGGVFIKKGSSVISWIASANRDEDKFCKPDCFKIDRPSYPHLSFGFGIHFCLGAPLARLEANIALSSLLSMSACIEKAAHDEKLEAIPSPFVFGVKRLPVRITFK |