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(4JLA) / Model_10(4JLA/A) = [5.6]
| Download | 752.29 | 7.97 | MAATSLLRTSTTCPVDFEPPLPHSARSLQPVEGVPGAYLLAPVLSRGECEQLIAASEALGYAPKKSRRAGPPIRTNTRLLYEAHAGLSETLTQRMRPHLEAIDVSSVGQWRLAAGSRLLNERWRMNRYAAGEQFFPHFDTGYALGRDCRSLLSIILYLNDDFGEGETVFFPGGQTRDHMLPGDEDAREVRIRPTAGTALVFHHFGPLNPRHSGLAPIPDPRPKYVIRTDVFYTRTPPSGSATLFGRSPGAHRCVVLLGPPGAGKSTQLRQVSQALGYTGIDFGHCVRTELARSSELGARIQQFRRKRAALQDAAFGATTGAQRRPAGWLPDALSLELLERQLGPLGPTAGLVLDGFPRMRSQSNFLEGNRWEVLAAVHLKVDDATRAERLQGRTLDPATGQPFHSRHVPPGSESAVTRRPEDAPESVKARMVDWEQDTHPLLEHYAKRGVAVEVDGSGSPEAVTRAILHSLSRRLLEEATPLFPAPLAELLRDASTDGVNHSSHLDSLVFRYQPPSGAALYLKLAPPWGAPLKAEATFLSSESARQLALQVPVLRGLFTLGEDVQALLTEELSGTSAKQAAQACTHDPERARLVHNLAEALRTFHRAPPPGGMTDYAIPVLLRRARERLNRGEVPSRNFTAKYGPPLEGPEALARELDRLERAAQALAEGPRVLLHGDPCLPNFRVDSHGAFTGCLDLSGVGSGDRYWDLALAHWSVQHNLGERWAEAFLGACCGEHLDPDRLSFFAGLRRFLV |
Consensus [pKd Mean = 4.86] | - | 958 (s=340) | 6 (s=5) | MAATSLLRTSTTCPVDFEPPLPHSARSLQPVEGVPGAYLLAPVLSRGECEQLIAASEALGYAPKKSRRAGPPIRTNTRLLYEAHAGLSETLTQRMRPHLEAIDVSSVGQWRLAAGSRLLNERWRMNRYAAGEQFFPHFDTGYALGRDCRSLLSIILYLNDDFGEGETVFFPGGQTRDHMLPGDEDAREVRIRPTAGTALVFHHFGPLNPRHSGLAPIPDPRPKYVIRTDVFYTRTPPSGSATLFGRSPGAHRCVVLLGPPGAGKSTQLRQVSQALGYTGIDFGHCVRTELARSSELGARIQQFRRKRAALQDAAFGATTGAQRRPAGWLPDALSLELLERQLGPLGPTAGLVLDGFPRMRSQSNFLEGNRWEVLAAVHLKVDDATRAERLQGRTLDPATGQPFHSRHVPPGSESAVTRRPEDAPESVKARMVDWEQDTHPLLEHYAKRGVAVEVDGSGSPEAVTRAILHSLSRRLLEEATPLFPAPLAELLRDASTDGVNHSSHLDSLVFRYQPPSGAALYLKLAPPWGAPLKAEATFLSSESARQLALQVPVLRGLFTLGEDVQALLTEELSGTSAKQAAQACTHDPERARLVHNLAEALRTFHRAPPPGGMTDYAIPVLLRRARERLNRGEVPSRNFTAKYGPPLEGPEALARELDRLERAAQALAEGPRVLLHGDPCLPNFRVDSHGAFTGCLDLSGVGSGDRYWDLALAHWSVQHNLGERWAEAFLGACCGEHLDPDRLSFFAGLRRFLV |