| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C4_S1 |
| Complex: GOL_A_13(3ETC) / Model_46(3ETC/A) = [3.1]
| Download | 497.86 | 24.60 | MRDYATTAAGFDLQRTAAATLSGTLQALNACVECCDRHALPGRIALFWEGKDGSRASYTFSELKALSGRFANFLQAQGVRPGDCVAGLLPRTPELLVTILGAWRLGAVYQPLFTAFGPKAIEHRVATAGSKVLVTDAANRDKLDELADPPLAVTVGGPKGQGIRRGDFSFWAELERYPAEFEPVPRSGEDPFLMMFTSGTTGLAKPVPVPLKAILAFVGYLREAVDLRPEDAFWNLADPGWAYGLYYAVAGPLAMGHPTTFYEGPFSVESTCRIIRDYGITNLAGSPTAYRLLMAAGAAAETALKGRLRAVSSAGEPLTPEVIRWFADRLGTTIHDHYGQTELGMVLCNHHALAHPVRVGAAGFACPGHRVVVLDDDLNELPPGQPGILALDRRRSPLMWFPGYQGLETAAFVGDYYLSGDTVELNEDGSISFVGRADDVITTSGYRVGPFDVESALIEHPAVMEAAVIGKPDPERTELVKAFVVLCAGHRPTPELADALQRYVRQRLSAHAYPREIEFLEELPKTPSGKIQRFLLRNQEIARQREAAPRAAAAN |
| Complex: GOL_A_13(3ETC) / Model_16(3ETC/A) = [3.1]
| Download | 449.03 | 21.62 | MRDYATTAAGFDLQRTAAATLSGTLQALNACVECCDRHALPGRIALFWEGKDGSRASYTFSELKALSGRFANFLQAQGVRPGDCVAGLLPRTPELLVTILGAWRLGAVYQPLFTAFGPKAIEHRVATAGSKVLVTDAANRDKLDELADPPLAVTVGGPKGQGIRRGDFSFWAELERYPAEFEPVPRSGEDPFLMMFTSGTTGLAKPVPVPLKAILAFVGYLREAVDLRPEDAFWNLADPGWAYGLYYAVAGPLAMGHPTTFYEGPFSVESTCRIIRDYGITNLAGSPTAYRLLMAAGAAAETALKGRLRAVSSAGEPLTPEVIRWFADRLGTTIHDHYGQTELGMVLCNHHALAHPVRVGAAGFACPGHRVVVLDDDLNELPPGQPGILALDRRRSPLMWFPGYQGLETAAFVGDYYLSGDTVELNEDGSISFVGRADDVITTSGYRVGPFDVESALIEHPAVMEAAVIGKPDPERTELVKAFVVLCAGHRPTPELADALQRYVRQRLSAHAYPREIEFLEELPKTPSGKIQRFLLRNQEIARQREAAPRAAAAN |
| Complex: GOL_B_23(3ETC) / Model_35(3ETC/B) = [4.1]
| Download | 392.52 | 9.64 | MRDYATTAAGFDLQRTAAATLSGTLQALNACVECCDRHALPGRIALFWEGKDGSRASYTFSELKALSGRFANFLQAQGVRPGDCVAGLLPRTPELLVTILGAWRLGAVYQPLFTAFGPKAIEHRVATAGSKVLVTDAANRDKLDELADPPLAVTVGGPKGQGIRRGDFSFWAELERYPAEFEPVPRSGEDPFLMMFTSGTTGLAKPVPVPLKAILAFVGYLREAVDLRPEDAFWNLADPGWAYGLYYAVAGPLAMGHPTTFYEGPFSVESTCRIIRDYGITNLAGSPTAYRLLMAAGAAAETALKGRLRAVSSAGEPLTPEVIRWFADRLGTTIHDHYGQTELGMVLCNHHALAHPVRVGAAGFACPGHRVVVLDDDLNELPPGQPGILALDRRRSPLMWFPGYQGLETAAFVGDYYLSGDTVELNEDGSISFVGRADDVITTSGYRVGPFDVESALIEHPAVMEAAVIGKPDPERTELVKAFVVLCAGHRPTPELADALQRYVRQRLSAHAYPREIEFLEELPKTPSGKIQRFLLRNQEIARQREAAPRAAAAN |
| Complex: COA_B_6(3GPC) / Model_31(3GPC/B) = [4.2]
| Download | 1456.54 | 19.12 | MRDYATTAAGFDLQRTAAATLSGTLQALNACVECCDRHALPGRIALFWEGKDGSRASYTFSELKALSGRFANFLQAQGVRPGDCVAGLLPRTPELLVTILGAWRLGAVYQPLFTAFGPKAIEHRVATAGSKVLVTDAANRDKLDELADPPLAVTVGGPKGQGIRRGDFSFWAELERYPAEFEPVPRSGEDPFLMMFTSGTTGLAKPVPVPLKAILAFVGYLREAVDLRPEDAFWNLADPGWAYGLYYAVAGPLAMGHPTTFYEGPFSVESTCRIIRDYGITNLAGSPTAYRLLMAAGAAAETALKGRLRAVSSAGEPLTPEVIRWFADRLGTTIHDHYGQTELGMVLCNHHALAHPVRVGAAGFACPGHRVVVLDDDLNELPPGQPGILALDRRRSPLMWFPGYQGLETAAFVGDYYLSGDTVELNEDGSISFVGRADDVITTSGYRVGPFDVESALIEHPAVMEAAVIGKPDPERTELVKAFVVLCAGHRPTPELADALQRYVRQRLSAHAYPREIEFLEELPKTPSGKIQRFLLRNQEIARQREAAPRAAAAN |
| Complex: AMP_D_4(1RY2) / Model_17(1RY2/A) = [4.3]
| Download | 843.33 | 16.18 | MRDYATTAAGFDLQRTAAATLSGTLQALNACVECCDRHALPGRIALFWEGKDGSRASYTFSELKALSGRFANFLQAQGVRPGDCVAGLLPRTPELLVTILGAWRLGAVYQPLFTAFGPKAIEHRVATAGSKVLVTDAANRDKLDELADPPLAVTVGGPKGQGIRRGDFSFWAELERYPAEFEPVPRSGEDPFLMMFTSGTTGLAKPVPVPLKAILAFVGYLREAVDLRPEDAFWNLADPGWAYGLYYAVAGPLAMGHPTTFYEGPFSVESTCRIIRDYGITNLAGSPTAYRLLMAAGAAAETALKGRLRAVSSAGEPLTPEVIRWFADRLGTTIHDHYGQTELGMVLCNHHALAHPVRVGAAGFACPGHRVVVLDDDLNELPPGQPGILALDRRRSPLMWFPGYQGLETAAFVGDYYLSGDTVELNEDGSISFVGRADDVITTSGYRVGPFDVESALIEHPAVMEAAVIGKPDPERTELVKAFVVLCAGHRPTPELADALQRYVRQRLSAHAYPREIEFLEELPKTPSGKIQRFLLRNQEIARQREAAPRAAAAN |
Consensus
[pKd Mean = 3.76] | - | 727
(s=396) | 18
(s=5) | MRDYATTAAGFDLQRTAAATLSGTLQALNACVECCDRHALPGRIALFWEGKDGSRASYTFSELKALSGRFANFLQAQGVRPGDCVAGLLPRTPELLVTILGAWRLGAVYQPLFTAFGPKAIEHRVATAGSKVLVTDAANRDKLDELADPPLAVTVGGPKGQGIRRGDFSFWAELERYPAEFEPVPRSGEDPFLMMFTSGTTGLAKPVPVPLKAILAFVGYLREAVDLRPEDAFWNLADPGWAYGLYYAVAGPLAMGHPTTFYEGPFSVESTCRIIRDYGITNLAGSPTAYRLLMAAGAAAETALKGRLRAVSSAGEPLTPEVIRWFADRLGTTIHDHYGQTELGMVLCNHHALAHPVRVGAAGFACPGHRVVVLDDDLNELPPGQPGILALDRRRSPLMWFPGYQGLETAAFVGDYYLSGDTVELNEDGSISFVGRADDVITTSGYRVGPFDVESALIEHPAVMEAAVIGKPDPERTELVKAFVVLCAGHRPTPELADALQRYVRQRLSAHAYPREIEFLEELPKTPSGKIQRFLLRNQEIARQREAAPRAAAAN |