| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C5_S1 |
| Complex: GCP_A_2(6F7U) / Model_156(6F7U/A) = [3.9]
| Download | 1625.80 | -4.26 | MAATSLLRTSTTCPVDFEPPLPHSARSLQPVEGVPGAYLLAPVLSRGECEQLIAASEALGYAPKKSRRAGPPIRTNTRLLYEAHAGLSETLTQRMRPHLEAIDVSSVGQWRLAAGSRLLNERWRMNRYAAGEQFFPHFDTGYALGRDCRSLLSIILYLNDDFGEGETVFFPGGQTRDHMLPGDEDAREVRIRPTAGTALVFHHFGPLNPRHSGLAPIPDPRPKYVIRTDVFYTRTPPSGSATLFGRSPGAHRCVVLLGPPGAGKSTQLRQVSQALGYTGIDFGHCVRTELARSSELGARIQQFRRKRAALQDAAFGATTGAQRRPAGWLPDALSLELLERQLGPLGPTAGLVLDGFPRMRSQSNFLEGNRWEVLAAVHLKVDDATRAERLQGRTLDPATGQPFHSRHVPPGSESAVTRRPEDAPESVKARMVDWEQDTHPLLEHYAKRGVAVEVDGSGSPEAVTRAILHSLSRRLLEEATPLFPAPLAELLRDASTDGVNHSSHLDSLVFRYQPPSGAALYLKLAPPWGAPLKAEATFLSSESARQLALQVPVLRGLFTLGEDVQALLTEELSGTSAKQAAQACTHDPERARLVHNLAEALRTFHRAPPPGGMTDYAIPVLLRRARERLNRGEVPSRNFTAKYGPPLEGPEALARELDRLERAAQALAEGPRVLLHGDPCLPNFRVDSHGAFTGCLDLSGVGSGDRYWDLALAHWSVQHNLGERWAEAFLGACCGEHLDPDRLSFFAGLRRFLV |
| Complex: ADP_B_6(4JL6) / Model_28(4JL6/B) = [4.6]
| Download | 726.62 | 9.20 | MAATSLLRTSTTCPVDFEPPLPHSARSLQPVEGVPGAYLLAPVLSRGECEQLIAASEALGYAPKKSRRAGPPIRTNTRLLYEAHAGLSETLTQRMRPHLEAIDVSSVGQWRLAAGSRLLNERWRMNRYAAGEQFFPHFDTGYALGRDCRSLLSIILYLNDDFGEGETVFFPGGQTRDHMLPGDEDAREVRIRPTAGTALVFHHFGPLNPRHSGLAPIPDPRPKYVIRTDVFYTRTPPSGSATLFGRSPGAHRCVVLLGPPGAGKSTQLRQVSQALGYTGIDFGHCVRTELARSSELGARIQQFRRKRAALQDAAFGATTGAQRRPAGWLPDALSLELLERQLGPLGPTAGLVLDGFPRMRSQSNFLEGNRWEVLAAVHLKVDDATRAERLQGRTLDPATGQPFHSRHVPPGSESAVTRRPEDAPESVKARMVDWEQDTHPLLEHYAKRGVAVEVDGSGSPEAVTRAILHSLSRRLLEEATPLFPAPLAELLRDASTDGVNHSSHLDSLVFRYQPPSGAALYLKLAPPWGAPLKAEATFLSSESARQLALQVPVLRGLFTLGEDVQALLTEELSGTSAKQAAQACTHDPERARLVHNLAEALRTFHRAPPPGGMTDYAIPVLLRRARERLNRGEVPSRNFTAKYGPPLEGPEALARELDRLERAAQALAEGPRVLLHGDPCLPNFRVDSHGAFTGCLDLSGVGSGDRYWDLALAHWSVQHNLGERWAEAFLGACCGEHLDPDRLSFFAGLRRFLV |
| Complex: ADP_A_4(4JL8) / Model_9(4JL8/A) = [4.9]
| Download | 767.70 | 7.38 | MAATSLLRTSTTCPVDFEPPLPHSARSLQPVEGVPGAYLLAPVLSRGECEQLIAASEALGYAPKKSRRAGPPIRTNTRLLYEAHAGLSETLTQRMRPHLEAIDVSSVGQWRLAAGSRLLNERWRMNRYAAGEQFFPHFDTGYALGRDCRSLLSIILYLNDDFGEGETVFFPGGQTRDHMLPGDEDAREVRIRPTAGTALVFHHFGPLNPRHSGLAPIPDPRPKYVIRTDVFYTRTPPSGSATLFGRSPGAHRCVVLLGPPGAGKSTQLRQVSQALGYTGIDFGHCVRTELARSSELGARIQQFRRKRAALQDAAFGATTGAQRRPAGWLPDALSLELLERQLGPLGPTAGLVLDGFPRMRSQSNFLEGNRWEVLAAVHLKVDDATRAERLQGRTLDPATGQPFHSRHVPPGSESAVTRRPEDAPESVKARMVDWEQDTHPLLEHYAKRGVAVEVDGSGSPEAVTRAILHSLSRRLLEEATPLFPAPLAELLRDASTDGVNHSSHLDSLVFRYQPPSGAALYLKLAPPWGAPLKAEATFLSSESARQLALQVPVLRGLFTLGEDVQALLTEELSGTSAKQAAQACTHDPERARLVHNLAEALRTFHRAPPPGGMTDYAIPVLLRRARERLNRGEVPSRNFTAKYGPPLEGPEALARELDRLERAAQALAEGPRVLLHGDPCLPNFRVDSHGAFTGCLDLSGVGSGDRYWDLALAHWSVQHNLGERWAEAFLGACCGEHLDPDRLSFFAGLRRFLV |
| Complex: ADP_A_4(4JLO) / Model_13(4JLO/A) = [5.3]
| Download | 920.33 | 12.47 | MAATSLLRTSTTCPVDFEPPLPHSARSLQPVEGVPGAYLLAPVLSRGECEQLIAASEALGYAPKKSRRAGPPIRTNTRLLYEAHAGLSETLTQRMRPHLEAIDVSSVGQWRLAAGSRLLNERWRMNRYAAGEQFFPHFDTGYALGRDCRSLLSIILYLNDDFGEGETVFFPGGQTRDHMLPGDEDAREVRIRPTAGTALVFHHFGPLNPRHSGLAPIPDPRPKYVIRTDVFYTRTPPSGSATLFGRSPGAHRCVVLLGPPGAGKSTQLRQVSQALGYTGIDFGHCVRTELARSSELGARIQQFRRKRAALQDAAFGATTGAQRRPAGWLPDALSLELLERQLGPLGPTAGLVLDGFPRMRSQSNFLEGNRWEVLAAVHLKVDDATRAERLQGRTLDPATGQPFHSRHVPPGSESAVTRRPEDAPESVKARMVDWEQDTHPLLEHYAKRGVAVEVDGSGSPEAVTRAILHSLSRRLLEEATPLFPAPLAELLRDASTDGVNHSSHLDSLVFRYQPPSGAALYLKLAPPWGAPLKAEATFLSSESARQLALQVPVLRGLFTLGEDVQALLTEELSGTSAKQAAQACTHDPERARLVHNLAEALRTFHRAPPPGGMTDYAIPVLLRRARERLNRGEVPSRNFTAKYGPPLEGPEALARELDRLERAAQALAEGPRVLLHGDPCLPNFRVDSHGAFTGCLDLSGVGSGDRYWDLALAHWSVQHNLGERWAEAFLGACCGEHLDPDRLSFFAGLRRFLV |
| Complex: ADP_A_4(4JLP) / Model_14(4JLP/A) = [5.6]
| Download | 734.09 | 5.50 | MAATSLLRTSTTCPVDFEPPLPHSARSLQPVEGVPGAYLLAPVLSRGECEQLIAASEALGYAPKKSRRAGPPIRTNTRLLYEAHAGLSETLTQRMRPHLEAIDVSSVGQWRLAAGSRLLNERWRMNRYAAGEQFFPHFDTGYALGRDCRSLLSIILYLNDDFGEGETVFFPGGQTRDHMLPGDEDAREVRIRPTAGTALVFHHFGPLNPRHSGLAPIPDPRPKYVIRTDVFYTRTPPSGSATLFGRSPGAHRCVVLLGPPGAGKSTQLRQVSQALGYTGIDFGHCVRTELARSSELGARIQQFRRKRAALQDAAFGATTGAQRRPAGWLPDALSLELLERQLGPLGPTAGLVLDGFPRMRSQSNFLEGNRWEVLAAVHLKVDDATRAERLQGRTLDPATGQPFHSRHVPPGSESAVTRRPEDAPESVKARMVDWEQDTHPLLEHYAKRGVAVEVDGSGSPEAVTRAILHSLSRRLLEEATPLFPAPLAELLRDASTDGVNHSSHLDSLVFRYQPPSGAALYLKLAPPWGAPLKAEATFLSSESARQLALQVPVLRGLFTLGEDVQALLTEELSGTSAKQAAQACTHDPERARLVHNLAEALRTFHRAPPPGGMTDYAIPVLLRRARERLNRGEVPSRNFTAKYGPPLEGPEALARELDRLERAAQALAEGPRVLLHGDPCLPNFRVDSHGAFTGCLDLSGVGSGDRYWDLALAHWSVQHNLGERWAEAFLGACCGEHLDPDRLSFFAGLRRFLV |
Consensus
[pKd Mean = 4.86] | - | 954
(s=342) | 6
(s=5) | MAATSLLRTSTTCPVDFEPPLPHSARSLQPVEGVPGAYLLAPVLSRGECEQLIAASEALGYAPKKSRRAGPPIRTNTRLLYEAHAGLSETLTQRMRPHLEAIDVSSVGQWRLAAGSRLLNERWRMNRYAAGEQFFPHFDTGYALGRDCRSLLSIILYLNDDFGEGETVFFPGGQTRDHMLPGDEDAREVRIRPTAGTALVFHHFGPLNPRHSGLAPIPDPRPKYVIRTDVFYTRTPPSGSATLFGRSPGAHRCVVLLGPPGAGKSTQLRQVSQALGYTGIDFGHCVRTELARSSELGARIQQFRRKRAALQDAAFGATTGAQRRPAGWLPDALSLELLERQLGPLGPTAGLVLDGFPRMRSQSNFLEGNRWEVLAAVHLKVDDATRAERLQGRTLDPATGQPFHSRHVPPGSESAVTRRPEDAPESVKARMVDWEQDTHPLLEHYAKRGVAVEVDGSGSPEAVTRAILHSLSRRLLEEATPLFPAPLAELLRDASTDGVNHSSHLDSLVFRYQPPSGAALYLKLAPPWGAPLKAEATFLSSESARQLALQVPVLRGLFTLGEDVQALLTEELSGTSAKQAAQACTHDPERARLVHNLAEALRTFHRAPPPGGMTDYAIPVLLRRARERLNRGEVPSRNFTAKYGPPLEGPEALARELDRLERAAQALAEGPRVLLHGDPCLPNFRVDSHGAFTGCLDLSGVGSGDRYWDLALAHWSVQHNLGERWAEAFLGACCGEHLDPDRLSFFAGLRRFLV |