TargetGroupModelMean alignment errorTM backbone RMSD (# residues)TM QsuperECL2 backbone RMSD (# residues)Protein prediction Z-scorePocket residue RMSD/TM/ECL2Ligand fingerprint prediction accuracyLigand RMSDLigand-pocket contact strength(# residues)/model/targetContact prediction accuracyCorrectnessComments
SMO_2GaTech50.22.94(190)38%6.71(19)1.155.61(19)/3.3(15)/10.23(4)59%4.315.47(2)/77.39(15)/89.62(19)7%0.16%
SMO_2UMich-Zhang30.574.14(190)38%7.88(19)0.96.33(19)/4.84(15)/9.96(4)38%4.929.73(3)/83.98(17)/89.62(19)11%0.15%
SMO_2SNU50.823.9(190)22%11.27(19)0.498.89(19)/6.84(15)/13.92(4)35%6.019.39(4)/66.9(11)/89.62(19)12%0.1%
SMO_2UMich-Zhang40.574.08(190)45%3.68(19)1.435.46(19)/4.83(15)/7.25(4)33%5.854.46(2)/99.07(17)/89.62(19)5%0.08%
SMO_2CDAC23.778.09(190)17%12.17(19)0.12.12(19)/11.08(15)/15.26(4)6%5.920.15(0)/99.26(17)/89.62(19)0%0.07%
SMO_2CDAC33.778.09(190)17%12.17(19)0.12.12(19)/11.08(15)/15.26(4)6%6.10.15(0)/95.47(16)/89.62(19)0%0.06%
SMO_2CDAC13.778.09(190)17%12.17(19)0.12.12(19)/11.08(15)/15.26(4)5%6.230.15(0)/96.73(15)/89.62(19)0%0.06%
SMO_2Warsaw51.535.56(190)15%12.03(19)0.2410.11(19)/7.27(15)/16.68(4)21%7.134.72(3)/59.83(11)/89.62(19)7%0.06%
SMO_2INRIA40.745.85(190)32%16.08(19)-0.2911.94(19)/6.18(15)/22.35(4)29%6.81.06(1)/72.81(14)/89.62(19)1%0.05%
SMO_2INRIA10.263.92(190)32%23.19(19)-1.0214.39(19)/4.08(15)/29.73(4)22%7.796.65(2)/75.34(12)/89.62(19)8%0.05%
SMO_2UNM42.16.72(189)13%11.24(19)0.2411.57(19)/10.26(15)/15.36(4)7%7.110.56(0)/82.3(12)/89.62(19)1%0.04%
SMO_2Caltech-Poland-CSMC5ND5.98(190)13%18.43(19)-0.610.99(19)/5.61(15)/20.93(4)8%7.540.(0)/70.46(10)/89.62(19)0%0.04%
SMO_2Caltech-Poland-CSMC1ND5.92(190)14%18.15(19)-0.5611.37(19)/5.79(15)/21.67(4)20%8.131.17(1)/58.68(12)/89.62(19)2%0.03%
SMO_2SNU40.834.01(190)22%11.71(19)0.428.02(19)/6.75(15)/11.46(4)18%8.562.64(1)/101.9(15)/89.62(19)3%0.03%
SMO_2Warsaw41.545.81(190)14%12.18(19)0.29.8(19)/6.97(15)/16.27(4)17%8.672.77(1)/76.62(11)/89.62(19)3%0.03%
SMO_2UWash21.956.33(190)20%12.03(19)0.179.87(19)/8.41(15)/13.88(4)12%8.681.28(1)/68.37(11)/89.62(19)2%0.03%
SMO_2QUB28.10.12(165)10%13.02(19)-0.2912.2(14)/13.16(10)/9.46(4)6%8.630.3(0)/39.61(9)/89.62(19)1%0.03%
SMO_2Copenhagen-Norn5ND14.27(190)19%47.48(19)-5.0128.42(19)/6.81(15)/59.3(4)13%9.573.72(1)/96.4(18)/89.62(19)4%0.02%
SMO_2QUB38.0110.1(165)10%13.23(19)-0.3112.18(14)/13.09(10)/9.57(4)8%9.330.34(0)/39.08(10)/89.62(19)1%0.02%
SMO_2QUB18.0110.09(165)11%12.8(19)-0.2612.08(14)/13.07(10)/9.2(4)16%9.270.(0)/50.66(13)/89.62(19)0%0.02%
SMO_2COH-Vaidehi3ND4.76(190)16%11.59(19)0.378.88(19)/6.46(15)/14.52(4)21%9.581.55(1)/53.92(14)/89.62(19)2%0.02%
SMO_2Copenhagen-Norn1ND14.53(190)17%48.61(19)-5.1828.91(19)/6.22(15)/60.59(4)20%9.914.52(1)/85.28(19)/89.62(19)5%0.02%
SMO_2Copenhagen-Norn2ND14.5(190)14%47.75(19)-5.0628.79(19)/7.91(15)/59.61(4)24%9.470.79(0)/106.96(20)/89.62(19)1%0.02%
SMO_2OxfordBiochem2ND8.87(190)2%13.21(19)-0.211.91(19)/10.13(15)/16.77(4)21%9.781.95(1)/84.19(13)/89.62(19)2%0.02%
SMO_2GaTech10.142.78(190)38%6.77(19)1.165.76(19)/3.41(15)/10.49(4)23%9.841.87(0)/87.5(12)/89.62(19)2%0.02%
SMO_2COH-Vaidehi41.174.23(190)23%14.82(19)0.019.22(19)/6.39(15)/15.56(4)11%9.81.38(1)/79.56(15)/89.62(19)2%0.02%
SMO_2LSU44.0411.43(190)25%12.73(19)-0.3719.07(19)/20.14(15)/14.67(4)11%9.811.01(0)/46.24(8)/89.62(19)2%0.02%
SMO_2GaTech40.122.99(190)38%6.7(19)1.155.54(19)/3.17(15)/10.21(4)44%10.123.09(2)/62.41(12)/89.62(19)4%0.02%
SMO_2UWash31.946.45(190)19%13.58(19)-0.0310.66(19)/8.64(15)/15.89(4)3%9.770.(0)/83.83(12)/89.62(19)0%0.02%
SMO_2Caltech-Poland-CSMC3ND5.75(190)16%19.72(19)-0.7411.77(19)/5.3(15)/23.06(4)27%9.90.89(0)/76.3(12)/89.62(19)1%0.02%
SMO_2COH-Vaidehi11.174.32(190)21%15.21(19)-0.059.23(19)/6.11(15)/15.99(4)11%10.111.33(1)/99.51(15)/89.62(19)1%0.02%
SMO_2SNU10.864.08(190)21%12.41(19)0.338.41(19)/7.27(15)/11.58(4)29%11.127.6(4)/94.8(16)/89.62(19)8%0.02%
SMO_2Warsaw21.264.8(190)21%9.(19)0.698.88(19)/7.29(15)/13.06(4)11%10.411.22(1)/102.28(16)/89.62(19)1%0.02%
SMO_2Warsaw11.535.56(190)15%12.03(19)0.2410.11(19)/7.27(15)/16.68(4)18%10.983.57(2)/68.78(16)/89.62(19)5%0.01%
SMO_2SNU30.864.11(190)21%15.24(19)-0.039.33(19)/7.2(15)/14.56(4)25%11.165.39(3)/88.22(16)/89.62(19)6%0.01%
SMO_2INRIA50.745.85(190)32%16.08(19)-0.2911.95(19)/6.19(15)/22.35(4)21%10.71.09(0)/70.68(16)/89.62(19)1%0.01%
SMO_2Copenhagen-Norn4ND14.68(190)18%47.37(19)-5.0328.83(19)/7.18(15)/60.03(4)21%10.550.08(0)/89.54(16)/89.62(19)0%0.01%
SMO_2CDAC53.778.09(190)17%12.17(19)0.12.12(19)/11.08(15)/15.26(4)10%10.80.16(0)/105.03(14)/89.62(19)0%0.01%
SMO_2OxfordBiochem4ND8.82(190)3%13.(19)-0.1711.87(19)/10.18(15)/16.54(4)3%10.820.(0)/74.7(15)/89.62(19)0%0.01%
SMO_2CDAC43.778.09(190)17%12.17(19)0.12.12(19)/11.08(15)/15.26(4)10%10.890.13(0)/97.55(14)/89.62(19)0%0.01%
SMO_2OxfordBiochem3ND8.79(190)3%13.3(19)-0.2112.08(19)/10.3(15)/16.95(4)10%11.030.06(0)/80.24(17)/89.62(19)0%0.01%
SMO_2OxfordBiochem1ND8.82(190)3%13.28(19)-0.2112.31(19)/10.65(15)/16.93(4)0%11.080.(0)/81.11(16)/89.62(19)0%0.01%
SMO_2OxfordBiochem5ND8.83(190)3%13.14(19)-0.1912.11(19)/10.47(15)/16.69(4)0%11.090.(0)/84.2(14)/89.62(19)0%0.01%
SMO_2Vanderbilt41.486.(190)15%17.61(19)-0.511.46(19)/7.03(15)/20.56(4)15%11.350.08(0)/81.16(13)/89.62(19)0%0.01%
SMO_2GaTech20.192.88(190)39%6.83(19)1.146.2(19)/3.14(15)/11.85(4)27%11.350.(0)/74.84(16)/89.62(19)0%0.01%
SMO_2Vanderbilt1ND5.31(190)18%12.35(19)0.238.89(19)/6.59(15)/14.35(4)25%11.350.(0)/63.62(13)/89.62(19)0%0.01%
SMO_2Copenhagen-Norn3ND14.1(190)19%43.9(19)-4.5426.62(19)/6.97(15)/55.28(4)28%11.370.(0)/89.71(18)/89.62(19)0%0.01%
SMO_2COH-Vaidehi5ND4.89(190)19%12.43(19)0.259.54(19)/6.39(15)/16.41(4)16%11.640.28(0)/60.74(11)/89.62(19)0%0.01%
SMO_2Vanderbilt3ND5.44(190)19%13.12(19)0.129.88(19)/6.59(15)/17.04(4)15%11.630.(0)/43.6(11)/89.62(19)0%0.01%
SMO_2Caltech-Poland-CSMC2ND6.62(190)4%17.84(19)-0.5812.1(19)/6.35(15)/22.89(4)10%11.940.48(0)/59.19(11)/89.62(19)1%0.01%
SMO_2Caltech-Poland-CSMC4ND6.62(190)4%17.84(19)-0.5812.1(19)/6.35(15)/22.89(4)10%11.940.48(0)/59.19(11)/89.62(19)1%0.01%
SMO_2UMich-Zhang20.573.83(190)42%3.76(19)1.444.63(19)/4.47(15)/5.14(4)34%12.291.88(1)/103.37(17)/89.62(19)2%0.01%
SMO_2Vanderbilt5ND14.33(190)2%16.52(19)-1.1115.01(19)/13.06(15)/20.49(4)0%12.220.(0)/73.9(14)/89.62(19)0%0.01%
SMO_2UMich-Zhang10.574.21(190)42%4.65(19)1.35.35(19)/4.66(15)/7.31(4)36%12.552.57(2)/94.34(17)/89.62(19)3%0.01%
SMO_2UNM32.16.72(189)13%11.24(19)0.2411.57(19)/10.26(15)/15.36(4)6%12.590.(0)/65.46(10)/89.62(19)0%0.01%
SMO_2Helsinki-Xhaard42.026.47(190)16%15.51(19)-0.2810.37(19)/5.25(15)/19.8(4)9%12.811.52(1)/66.59(10)/89.62(19)2%0.01%
SMO_2GaTech30.192.89(190)38%6.68(19)1.165.35(19)/3.26(15)/9.61(4)20%12.850.72(0)/65.57(11)/89.62(19)1%0.01%
SMO_2LMC-Monash22.8310.49(190)20%13.21(19)-0.3512.59(19)/11.9(15)/14.78(4)8%12.920.08(0)/58.53(10)/89.62(19)0%0.01%
SMO_2LMC-Monash12.8310.49(190)20%13.19(19)-0.3412.58(19)/11.89(15)/14.76(4)20%13.222.37(1)/97.45(8)/89.62(19)3%0.01%
SMO_2Warsaw31.535.56(190)15%12.03(19)0.2410.11(19)/7.27(15)/16.68(4)11%13.020.53(0)/60.66(11)/89.62(19)1%0.01%
SMO_2Helsinki-Xhaard22.026.47(190)16%15.51(19)-0.2810.37(19)/5.25(15)/19.8(4)15%13.421.43(1)/22.98(5)/89.62(19)4%0.01%
SMO_2Helsinki-Xhaard32.026.47(190)16%15.51(19)-0.2810.37(19)/5.25(15)/19.8(4)14%13.851.22(1)/15.47(5)/89.62(19)5%0.01%
SMO_2INRIA20.745.85(190)32%16.08(19)-0.2911.94(19)/6.18(15)/22.35(4)2%13.490.16(0)/71.61(11)/89.62(19)0%0.01%
SMO_2Vanderbilt21.365.92(190)17%13.99(19)-0.0410.51(19)/6.81(15)/18.41(4)21%14.664.25(2)/63.7(15)/89.62(19)6%0.01%
SMO_2Helsinki-Xhaard12.026.47(190)16%15.51(19)-0.2810.37(19)/5.25(15)/19.8(4)4%14.680.35(0)/38.42(5)/89.62(19)1%0.%
SMO_2INRIA30.745.85(190)32%16.08(19)-0.2911.94(19)/6.18(15)/22.35(4)1%18.30.(0)/69.87(12)/89.62(19)0%0.%
SMO_2MPI14.1211.52(184)7%13.82(19)-0.5111.54(18)/10.49(14)/14.5(4)11%23.510.67(0)/38.32(9)/89.62(19)1%0.%
SMO_2KoreaU528.8127.47(157)0%NDND30.55(14)/30.55(14)/0.(0)13%35.610.(0)/79.(12)/89.62(19)0%0.%
SMO_2KoreaU428.8127.47(157)0%NDND30.55(14)/30.55(14)/0.(0)17%35.980.95(1)/73.13(12)/89.62(19)1%0.%
SMO_2KoreaU328.8127.47(157)0%NDND30.55(14)/30.55(14)/0.(0)19%36.0.(0)/73.78(10)/89.62(19)0%0.%
SMO_2KoreaU128.8127.47(157)0%NDND30.55(14)/30.55(14)/0.(0)5%36.230.(0)/80.15(13)/89.62(19)0%0.%
SMO_2KoreaU228.8127.47(157)0%NDND30.55(14)/30.55(14)/0.(0)11%36.560.04(0)/71.64(10)/89.62(19)0%0.%
SMO_2UNM12.086.25(187)17%9.05(19)0.5610.51(19)/9.92(15)/12.4(4)6%11.230.(0)/89.57(10)/89.62(19)0%NDligand sterically impossible
SMO_2UNM22.086.25(187)17%9.05(19)0.5610.51(19)/9.92(15)/12.4(4)5%6.442.08(1)/97.11(10)/89.62(19)2%NDligand sterically impossible
SMO_2UNM52.16.72(189)13%11.24(19)0.2411.57(19)/10.26(15)/15.36(4)6%7.210.44(0)/111.26(10)/89.62(19)0%NDligand sterically impossible
SMO_2LSU14.0111.32(190)27%13.63(19)-0.4718.85(19)/19.65(15)/15.68(4)14%8.192.47(1)/74.58(10)/89.62(19)3%NDligand sterically impossible
SMO_2LSU24.0311.28(190)27%11.39(19)-0.1918.54(19)/19.71(15)/13.58(4)20%8.812.39(1)/88.28(12)/89.62(19)3%NDligand sterically impossible
SMO_2LSU34.0211.45(190)27%12.94(19)-0.419.24(19)/20.3(15)/14.89(4)4%9.511.1(0)/77.49(10)/89.62(19)1%NDligand sterically impossible
SMO_2LSU54.0211.28(190)26%12.02(19)-0.2718.8(19)/19.66(15)/15.36(4)15%14.010.(0)/66.69(13)/89.62(19)0%NDligand sterically impossible
SMO_2Helsinki-Xhaard5ND8.32(190)14%3.(19)1.147.38(19)/7.6(15)/6.5(4)21%12.61.49(1)/147.37(10)/89.62(19)1%NDligand sterically impossible
SMO_2COH-Vaidehi20.594.44(190)21%14.95(19)-0.028.84(19)/6.1(15)/14.94(4)19%11.090.(0)/104.47(17)/89.62(19)0%NDligand sterically impossible
SMO_2UWash11.956.33(190)21%12.18(19)0.169.81(19)/8.3(15)/13.91(4)10%8.140.23(0)/120.9(11)/89.62(19)0%NDligand sterically impossible
SMO_2UWash40.173.84(190)38%3.94(19)1.425.05(19)/4.58(15)/6.45(4)40%9.7914.32(5)/332.17(17)/89.62(19)10%NDligand sterically impossible
SMO_2UWash50.333.44(190)33%4.89(19)1.334.88(19)/3.47(15)/8.11(4)35%5.459.51(3)/173.71(15)/89.62(19)8%NDligand sterically impossible
SMO_2SNU20.864.08(190)21%15.57(19)-0.079.57(19)/7.32(15)/15.04(4)35%10.444.33(2)/115.(15)/89.62(19)4%NDligand sterically impossible
SMO_2UMich-Zhang50.574.25(190)42%4.71(19)1.285.39(19)/4.76(15)/7.21(4)31%9.265.58(2)/208.74(14)/89.62(19)4%NDligand sterically impossible
SMO_2BlackSea12.026.18(190)16%14.91(19)-0.1711.56(19)/7.82(15)/19.8(4)5%11.410.(0)/182.23(11)/89.62(19)0%NDligand sterically impossible
SMO_2BlackSea21.455.32(190)15%14.71(19)-0.0711.08(19)/6.77(15)/19.9(4)10%9.211.81(2)/185.66(13)/89.62(19)1%NDligand sterically impossible