Complexes [Theoretical pKd] | File | Volume (A3) (FPocket) | Hydrophobicity Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C2_S1 |
Complex: ACP_A_4(3AR2) / Model_49(3AR2/A) = [3.3]
| Download | 1171.56 | 17.41 | MLWVKESIEQLLSKLHTNLDTGLTKEQVKQKHAEFGTNEFEEGKKESLLQKIGHHLVEITTIVLLFAAAISAYLAITTGYGWAKVVVILGIVVLNMVLGIYQENSAEKALAALQSMNAHLTTVIRDGVRMQVDATELVPGDIIEIVAGDMIPADARIISSSSLQVEESALTGESVPVEKDANAVVSEKAPIGDRLNMLYSGCLVTNGRATAVVVEIGMETEMGKIAGLLNSTSKLMTPLQLRLKELAKRLSIVALLAGILIFIIDVYVYGETIIETLMIAISLAVAAVPETLPVIVTLTLAYGVQNMVRKNTIIRRIPAVETIGNTSVICSDKTGTLTQNKMIIQQIWAADHTPIKATAEFDTAEQKVLEMLSLSSNATIDVTDGEETIIGDPTESAIIRLLEEKGTTKKALEAKYPRVFELPFDSDRKLMTTIHQVEDGFLSITKGAFDRIPVNFSEAFLAEAERVHDSFAEDALRVLVVAYKKYPEMPTDLSSEALETDLTFAGMVGMIDPPRPESKAAVLAAKKAGIKTVMITGDHIVTASAIAKEIGILTDGDKAITGAELAEMSEADLEKNIRDYAVYARVSPEDKIRIVKAWQKNGEIVTMTGDGVNDAPALKAADVGAAMGITGTDVSKNAADMVITDDNFATIVDAVKEGRTAYENIRKTIYFLLSTNFSQIFIMLIAIILGWGAPVVAVQLLLINVVSDGIPGFFLSREKADDSIMERKPIPKNAGIFANGLGKKMATQAVVFTIVTLAGFYIGQFVTINNSIGASYEVGMTMAFVILAWSSVAHIFNVRSDKSIFTIGFLSNRGLFFSAICSMLIILGLAIIPPLANMFFLVEMSLTHWILAFILSMFPLLFVEIQKLIQRKRAKA |
Complex: ACP_A_3(2C8K) / Model_13(2C8K/A) = [3.7]
| Download | 1753.79 | 13.00 | MLWVKESIEQLLSKLHTNLDTGLTKEQVKQKHAEFGTNEFEEGKKESLLQKIGHHLVEITTIVLLFAAAISAYLAITTGYGWAKVVVILGIVVLNMVLGIYQENSAEKALAALQSMNAHLTTVIRDGVRMQVDATELVPGDIIEIVAGDMIPADARIISSSSLQVEESALTGESVPVEKDANAVVSEKAPIGDRLNMLYSGCLVTNGRATAVVVEIGMETEMGKIAGLLNSTSKLMTPLQLRLKELAKRLSIVALLAGILIFIIDVYVYGETIIETLMIAISLAVAAVPETLPVIVTLTLAYGVQNMVRKNTIIRRIPAVETIGNTSVICSDKTGTLTQNKMIIQQIWAADHTPIKATAEFDTAEQKVLEMLSLSSNATIDVTDGEETIIGDPTESAIIRLLEEKGTTKKALEAKYPRVFELPFDSDRKLMTTIHQVEDGFLSITKGAFDRIPVNFSEAFLAEAERVHDSFAEDALRVLVVAYKKYPEMPTDLSSEALETDLTFAGMVGMIDPPRPESKAAVLAAKKAGIKTVMITGDHIVTASAIAKEIGILTDGDKAITGAELAEMSEADLEKNIRDYAVYARVSPEDKIRIVKAWQKNGEIVTMTGDGVNDAPALKAADVGAAMGITGTDVSKNAADMVITDDNFATIVDAVKEGRTAYENIRKTIYFLLSTNFSQIFIMLIAIILGWGAPVVAVQLLLINVVSDGIPGFFLSREKADDSIMERKPIPKNAGIFANGLGKKMATQAVVFTIVTLAGFYIGQFVTINNSIGASYEVGMTMAFVILAWSSVAHIFNVRSDKSIFTIGFLSNRGLFFSAICSMLIILGLAIIPPLANMFFLVEMSLTHWILAFILSMFPLLFVEIQKLIQRKRAKA |
Complex: ACP_A_3(2BY4) / Model_11(2BY4/A) = [4.1]
| Download | 1840.18 | 10.72 | MLWVKESIEQLLSKLHTNLDTGLTKEQVKQKHAEFGTNEFEEGKKESLLQKIGHHLVEITTIVLLFAAAISAYLAITTGYGWAKVVVILGIVVLNMVLGIYQENSAEKALAALQSMNAHLTTVIRDGVRMQVDATELVPGDIIEIVAGDMIPADARIISSSSLQVEESALTGESVPVEKDANAVVSEKAPIGDRLNMLYSGCLVTNGRATAVVVEIGMETEMGKIAGLLNSTSKLMTPLQLRLKELAKRLSIVALLAGILIFIIDVYVYGETIIETLMIAISLAVAAVPETLPVIVTLTLAYGVQNMVRKNTIIRRIPAVETIGNTSVICSDKTGTLTQNKMIIQQIWAADHTPIKATAEFDTAEQKVLEMLSLSSNATIDVTDGEETIIGDPTESAIIRLLEEKGTTKKALEAKYPRVFELPFDSDRKLMTTIHQVEDGFLSITKGAFDRIPVNFSEAFLAEAERVHDSFAEDALRVLVVAYKKYPEMPTDLSSEALETDLTFAGMVGMIDPPRPESKAAVLAAKKAGIKTVMITGDHIVTASAIAKEIGILTDGDKAITGAELAEMSEADLEKNIRDYAVYARVSPEDKIRIVKAWQKNGEIVTMTGDGVNDAPALKAADVGAAMGITGTDVSKNAADMVITDDNFATIVDAVKEGRTAYENIRKTIYFLLSTNFSQIFIMLIAIILGWGAPVVAVQLLLINVVSDGIPGFFLSREKADDSIMERKPIPKNAGIFANGLGKKMATQAVVFTIVTLAGFYIGQFVTINNSIGASYEVGMTMAFVILAWSSVAHIFNVRSDKSIFTIGFLSNRGLFFSAICSMLIILGLAIIPPLANMFFLVEMSLTHWILAFILSMFPLLFVEIQKLIQRKRAKA |
Complex: ADP_A_4(2OA0) / Model_17(2OA0/A) = [4.2]
| Download | 2295.50 | 8.00 | MLWVKESIEQLLSKLHTNLDTGLTKEQVKQKHAEFGTNEFEEGKKESLLQKIGHHLVEITTIVLLFAAAISAYLAITTGYGWAKVVVILGIVVLNMVLGIYQENSAEKALAALQSMNAHLTTVIRDGVRMQVDATELVPGDIIEIVAGDMIPADARIISSSSLQVEESALTGESVPVEKDANAVVSEKAPIGDRLNMLYSGCLVTNGRATAVVVEIGMETEMGKIAGLLNSTSKLMTPLQLRLKELAKRLSIVALLAGILIFIIDVYVYGETIIETLMIAISLAVAAVPETLPVIVTLTLAYGVQNMVRKNTIIRRIPAVETIGNTSVICSDKTGTLTQNKMIIQQIWAADHTPIKATAEFDTAEQKVLEMLSLSSNATIDVTDGEETIIGDPTESAIIRLLEEKGTTKKALEAKYPRVFELPFDSDRKLMTTIHQVEDGFLSITKGAFDRIPVNFSEAFLAEAERVHDSFAEDALRVLVVAYKKYPEMPTDLSSEALETDLTFAGMVGMIDPPRPESKAAVLAAKKAGIKTVMITGDHIVTASAIAKEIGILTDGDKAITGAELAEMSEADLEKNIRDYAVYARVSPEDKIRIVKAWQKNGEIVTMTGDGVNDAPALKAADVGAAMGITGTDVSKNAADMVITDDNFATIVDAVKEGRTAYENIRKTIYFLLSTNFSQIFIMLIAIILGWGAPVVAVQLLLINVVSDGIPGFFLSREKADDSIMERKPIPKNAGIFANGLGKKMATQAVVFTIVTLAGFYIGQFVTINNSIGASYEVGMTMAFVILAWSSVAHIFNVRSDKSIFTIGFLSNRGLFFSAICSMLIILGLAIIPPLANMFFLVEMSLTHWILAFILSMFPLLFVEIQKLIQRKRAKA |
Complex: ADP_A_9(3AR3) / Model_48(3AR3/A) = [4.3]
| Download | 1695.58 | 17.93 | MLWVKESIEQLLSKLHTNLDTGLTKEQVKQKHAEFGTNEFEEGKKESLLQKIGHHLVEITTIVLLFAAAISAYLAITTGYGWAKVVVILGIVVLNMVLGIYQENSAEKALAALQSMNAHLTTVIRDGVRMQVDATELVPGDIIEIVAGDMIPADARIISSSSLQVEESALTGESVPVEKDANAVVSEKAPIGDRLNMLYSGCLVTNGRATAVVVEIGMETEMGKIAGLLNSTSKLMTPLQLRLKELAKRLSIVALLAGILIFIIDVYVYGETIIETLMIAISLAVAAVPETLPVIVTLTLAYGVQNMVRKNTIIRRIPAVETIGNTSVICSDKTGTLTQNKMIIQQIWAADHTPIKATAEFDTAEQKVLEMLSLSSNATIDVTDGEETIIGDPTESAIIRLLEEKGTTKKALEAKYPRVFELPFDSDRKLMTTIHQVEDGFLSITKGAFDRIPVNFSEAFLAEAERVHDSFAEDALRVLVVAYKKYPEMPTDLSSEALETDLTFAGMVGMIDPPRPESKAAVLAAKKAGIKTVMITGDHIVTASAIAKEIGILTDGDKAITGAELAEMSEADLEKNIRDYAVYARVSPEDKIRIVKAWQKNGEIVTMTGDGVNDAPALKAADVGAAMGITGTDVSKNAADMVITDDNFATIVDAVKEGRTAYENIRKTIYFLLSTNFSQIFIMLIAIILGWGAPVVAVQLLLINVVSDGIPGFFLSREKADDSIMERKPIPKNAGIFANGLGKKMATQAVVFTIVTLAGFYIGQFVTINNSIGASYEVGMTMAFVILAWSSVAHIFNVRSDKSIFTIGFLSNRGLFFSAICSMLIILGLAIIPPLANMFFLVEMSLTHWILAFILSMFPLLFVEIQKLIQRKRAKA |
Consensus [pKd Mean = 3.92] | - | 1751 (s=358) | 13 (s=3) | MLWVKESIEQLLSKLHTNLDTGLTKEQVKQKHAEFGTNEFEEGKKESLLQKIGHHLVEITTIVLLFAAAISAYLAITTGYGWAKVVVILGIVVLNMVLGIYQENSAEKALAALQSMNAHLTTVIRDGVRMQVDATELVPGDIIEIVAGDMIPADARIISSSSLQVEESALTGESVPVEKDANAVVSEKAPIGDRLNMLYSGCLVTNGRATAVVVEIGMETEMGKIAGLLNSTSKLMTPLQLRLKELAKRLSIVALLAGILIFIIDVYVYGETIIETLMIAISLAVAAVPETLPVIVTLTLAYGVQNMVRKNTIIRRIPAVETIGNTSVICSDKTGTLTQNKMIIQQIWAADHTPIKATAEFDTAEQKVLEMLSLSSNATIDVTDGEETIIGDPTESAIIRLLEEKGTTKKALEAKYPRVFELPFDSDRKLMTTIHQVEDGFLSITKGAFDRIPVNFSEAFLAEAERVHDSFAEDALRVLVVAYKKYPEMPTDLSSEALETDLTFAGMVGMIDPPRPESKAAVLAAKKAGIKTVMITGDHIVTASAIAKEIGILTDGDKAITGAELAEMSEADLEKNIRDYAVYARVSPEDKIRIVKAWQKNGEIVTMTGDGVNDAPALKAADVGAAMGITGTDVSKNAADMVITDDNFATIVDAVKEGRTAYENIRKTIYFLLSTNFSQIFIMLIAIILGWGAPVVAVQLLLINVVSDGIPGFFLSREKADDSIMERKPIPKNAGIFANGLGKKMATQAVVFTIVTLAGFYIGQFVTINNSIGASYEVGMTMAFVILAWSSVAHIFNVRSDKSIFTIGFLSNRGLFFSAICSMLIILGLAIIPPLANMFFLVEMSLTHWILAFILSMFPLLFVEIQKLIQRKRAKA |