| pair_id | #RES | MSA: DEPTH; #RES; #Clusters | PAIR_TM | ΔG1 | ΔG2 | AF2Clust_TM1 | AF2Clust_TM2 | AF2Deep_TM1 | AF2Deep_TM2 | AF3Clust_TM1 | AF3Clust_TM2 | AF3Deep_TM1 | AF3Deep_TM2 | ESM2_TM1 | ESM2_TM2 | ESM3_TM1 | ESM3_TM2 | MSATrans_CMAP_PR1 | MSATrans_CMAP_PR2 | MSATrans_CMAP_RE1 | MSATrans_CMAP_RE2 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1dzlA_5keqF | 473 | 2112; 473; 5 | 0.930 | 4648.700 | 15504.370 | 0.920(2) | 0.880(2) | 0.920 | 0.920 | 0.930(2) | 0.890(2) | 0.930 | 0.920 | 0.400 | 0.390 | 0.400 | 0.370 | 0.660 | 0.640 | 0.150 | 0.160 |
| 1eboE_5fhcJ | 111 | 1325; 131; 2 | 0.245 | 4828.230 | 1508.550 | 0.790(0) | 0.590(0) | 0.780 | 0.590 | 0.750(0) | 0.340(0) | 0.750 | 0.270 | 0.790 | 0.350 | 0.790 | 0.350 | 0.000 | 0.000 | 0.000 | 0.000 |
| 1fzpD_2frhA | 127 | 2833; 127; 8 | 0.639 | 5748.330 | 1127.210 | 0.630(2) | 0.900(2) | 0.630 | 0.910 | 0.650(2) | 0.940(2) | 0.650 | 0.940 | 0.620 | 0.850 | 0.620 | 0.850 | 0.020 | 0.410 | 0.060 | 0.420 |
| 1iytA_2naoF | 42 | 150; 42; 1 | 0.230 | 5654692.290 | 36522235.990 | 0.240(0) | 0.220(0) | 0.240 | 0.220 | 0.480(0) | 0.240(0) | 0.480 | 0.240 | 0.430 | 0.290 | 0.430 | 0.240 | - | - | 0.000 | 0.000 |
| 1jfkA_2nxqB | 134 | 16550; 134; 21 | 0.433 | 744.000 | 189.810 | 0.460(12) | 0.540(19) | 0.460 | 0.460 | 0.450(6) | 0.710(8) | 0.450 | 0.460 | 0.520 | 0.900 | 0.520 | 0.900 | 0.390 | 0.250 | 0.460 | 0.740 |
| 1kctA_3t1pA | 375 | 19991; 375; 20 | 0.814 | 6033.490 | 1525.960 | 0.940(8) | 0.830(0) | 0.940 | 0.830 | 0.940(8) | 0.840(9) | 0.940 | 0.840 | 0.940 | 0.850 | 0.940 | 0.850 | 0.740 | 0.720 | 0.280 | 0.320 |
| 1miqB_1qs8B | 375 | 18863; 375; 15 | 0.870 | 1399.900 | 6604.680 | 0.950(0) | 0.960(0) | 0.940 | 0.960 | 0.930(0) | 0.970(0) | 0.910 | 0.970 | 0.900 | 0.970 | 0.900 | 0.970 | 0.660 | 0.660 | 0.280 | 0.300 |
| 1mnmD_1mnmC | 77 | 6577; 77; 20 | 0.753 | 431.950 | 431.950 | 0.720(15) | 0.750(1) | 0.720 | 0.750 | 0.720(1) | 0.730(1) | 0.710 | 0.720 | 0.730 | 0.760 | 0.730 | 0.760 | 0.360 | 0.380 | 0.460 | 0.470 |
| 1nocA_1qomB | 420 | 9546; 420; 19 | 0.879 | 1300.200 | 1418.000 | 0.870(2) | 0.890(2) | 0.880 | 0.930 | 0.880(2) | 0.930(2) | 0.880 | 0.930 | 0.420 | 0.390 | 0.410 | 0.400 | 0.470 | 0.570 | 0.200 | 0.210 |
| 1nqjB_1nqdA | 114 | 4069; 115; 15 | 0.884 | -289.470 | 367.130 | 0.980(2) | 0.980(2) | 0.980 | 0.980 | 0.980(2) | 0.980(2) | 0.980 | 0.980 | 0.970 | 0.970 | 0.970 | 0.970 | 0.680 | 0.410 | 0.200 | 0.220 |
| 1nrjB_2gedB | 191 | 5939; 223; 18 | 0.608 | -211.260 | 99.730 | 0.350(5) | 0.630(16) | 0.350 | 0.610 | 0.350(5) | 0.630(16) | 0.350 | 0.620 | 0.370 | 0.800 | 0.370 | 0.800 | 0.070 | 0.060 | 0.010 | 0.020 |
| 1qb3A_3qy2A | 113 | 6217; 118; 20 | 0.783 | 963.850 | 204.100 | 0.730(3) | 0.920(3) | 0.730 | 0.920 | 0.740(3) | 0.910(3) | 0.740 | 0.920 | 0.700 | 0.870 | 0.700 | 0.870 | 0.140 | 0.080 | 0.030 | 0.020 |
| 1qlnA_1h38D | 862 | 10300; 882; 11 | 0.730 | 5492.520 | 20547.240 | 0.850(2) | 0.950(0) | 0.830 | 0.950 | 0.900(8) | 0.950(2) | 0.900 | 0.950 | 0.830 | 0.870 | 0.830 | 0.870 | 0.040 | 0.040 | 0.020 | 0.020 |
| 1rk4B_1k0nA | 226 | 6001; 229; 16 | 0.804 | -294.970 | -2.000 | 0.800(5) | 0.910(1) | 0.800 | 0.960 | 0.810(5) | 0.980(1) | 0.800 | 0.980 | 0.800 | 0.940 | 0.800 | 0.940 | 0.190 | 0.330 | 0.140 | 0.220 |
| 1svfC_4wsgC | 479 | 820; 479; 1 | 0.831 | -174.330 | 7362.660 | 0.940(0) | 0.700(0) | 0.920 | 0.640 | 0.800(0) | 0.520(0) | 0.790 | 0.460 | 0.710 | 0.580 | 0.710 | 0.580 | 0.000 | 0.480 | - | 0.140 |
| 1wp8C_5ejbC | 454 | 508; 454; 1 | 0.492 | 371.880 | 21399.800 | 0.700(0) | 0.680(0) | 0.690 | 0.680 | 0.640(0) | 0.600(0) | 0.640 | 0.600 | 0.640 | 0.620 | 0.640 | 0.620 | 0.560 | 0.520 | 0.320 | 0.130 |
| 1x0gD_1x0gA | 104 | 14425; 106; 21 | 0.553 | 2021.220 | 2021.220 | 0.900(3) | 0.900(3) | 0.910 | 0.910 | 0.910(3) | 0.910(3) | 0.910 | 0.910 | 0.920 | 0.920 | 0.920 | 0.920 | 0.310 | 0.670 | 0.580 | 0.450 |
| 1xezA_3o44A | 663 | 1128; 663; 1 | 0.601 | -500.170 | -2226.570 | 0.630(0) | 0.870(0) | 0.640 | 0.680 | 0.620(0) | 0.870(0) | 0.620 | 0.880 | 0.550 | 0.670 | - | - | 0.690 | 0.710 | 0.120 | 0.120 |
| 1xjuB_1xjtA | 170 | 5318; 178; 18 | 0.762 | -400.890 | 216.450 | 0.790(16) | 0.970(16) | 0.780 | 0.980 | 0.830(16) | 0.980(16) | 0.810 | 0.970 | 0.790 | 0.930 | 0.790 | 0.930 | 0.470 | 0.220 | 0.440 | 0.040 |
| 1xtgB_3j97M | 131 | 10401; 131; 20 | 0.344 | 172.600 | 41553.140 | 0.070(7) | 0.090(1) | 0.070 | 0.100 | 0.080(13) | 0.090(1) | 0.080 | 0.100 | 0.150 | 0.100 | 0.150 | 0.100 | 0.000 | 0.410 | 0.000 | 0.740 |
| 1zk9A_3jv6A | 110 | 5780; 110; 20 | 0.534 | 165.420 | 1178.610 | 0.520(15) | 0.980(15) | 0.490 | 0.980 | 0.530(11) | 0.990(19) | 0.490 | 0.980 | 0.530 | 0.980 | 0.530 | 0.980 | 0.580 | 0.700 | 0.440 | 0.390 |
| 2bzyB_2lqwA | 302 | 21426; 303; 4 | 0.599 | 255.480 | 164131771.560 | 0.690(0) | 0.340(0) | 0.700 | 0.390 | 0.710(0) | 0.380(0) | 0.730 | 0.380 | 0.690 | 0.380 | 0.690 | 0.380 | 0.280 | 0.610 | 0.480 | 0.250 |
| 2c1vB_2c1uC | 335 | 32272; 335; 18 | 0.872 | -1155.090 | 195.370 | 0.990(0) | 0.870(9) | 0.980 | 0.870 | 0.990(0) | 0.870(9) | 0.990 | 0.870 | 0.960 | 0.860 | 0.960 | 0.860 | 0.550 | 0.430 | 0.220 | 0.200 |
| 2grmB_2axzA | 315 | 7574; 315; 0 | 0.950 | 1607.400 | 2909.280 | - | - | 0.900 | 0.890 | - | - | 0.920 | 0.920 | 0.900 | 0.900 | 0.900 | 0.900 | - | - | - | - |
| 2h44A_1rkpA | 326 | 18182; 326; 20 | 0.927 | -369.680 | -30.080 | 0.940(1) | 0.960(1) | 0.940 | 0.960 | 0.940(1) | 0.960(1) | 0.940 | 0.960 | 0.940 | 0.960 | 0.940 | 0.960 | 0.460 | 0.470 | 0.420 | 0.440 |
| 2jmrA_4j3oF | 179 | 6956; 179; 20 | 0.803 | 141981127.900 | 1260.090 | 0.850(4) | 0.820(5) | 0.850 | 0.810 | 0.850(4) | 0.830(5) | 0.850 | 0.830 | 0.840 | 0.850 | 0.840 | 0.850 | 0.660 | 0.580 | 0.320 | 0.400 |
| 2k42A_1ceeB | 72 | 6099; 81; 20 | 0.285 | 86490930.230 | 124681562.560 | 0.820(3) | 0.220(15) | 0.790 | 0.220 | 0.830(10) | 0.210(3) | 0.820 | 0.210 | 0.790 | 0.230 | 0.790 | 0.230 | 1.000 | 0.670 | 0.070 | 0.110 |
| 2kb8A_6vw2A | 37 | 562; 37; 2 | 0.242 | 41783100.730 | 962.730 | 0.510(1) | 0.180(0) | 0.540 | 0.200 | 0.570(1) | 0.160(0) | 0.600 | 0.150 | 0.540 | 0.180 | 0.540 | 0.190 | 1.000 | 0.000 | 0.010 | 0.000 |
| 2kkwA_2n0aD | 140 | 984; 140; 3 | 0.189 | 109648624.370 | 2471.780 | 0.350(1) | 0.250(1) | 0.360 | 0.180 | 0.330(1) | 0.220(2) | 0.310 | 0.180 | 0.310 | 0.260 | 0.310 | 0.270 | 0.000 | 0.000 | 0.000 | 0.000 |
| 2lelA_2k0qA | 74 | 513; 74; 1 | 0.542 | 60669238.580 | 63126810.650 | 0.600(0) | 0.730(0) | 0.600 | 0.730 | 0.700(0) | 0.630(0) | 0.700 | 0.630 | 0.590 | 0.760 | 0.590 | 0.760 | 0.770 | 0.840 | 0.300 | 0.310 |
| 2lepA_4hddA | 64 | 5645; 67; 20 | 0.396 | 66444166.780 | 13.110 | 0.760(9) | 0.520(9) | 0.760 | 0.520 | 0.760(9) | 0.520(9) | 0.760 | 0.510 | 0.800 | 0.510 | 0.800 | 0.510 | 0.830 | 0.070 | 0.470 | 0.270 |
| 2lv1A_6lniA | 147 | 845; 147; 3 | 0.251 | 115517181.190 | 1761.360 | 0.610(1) | 0.330(1) | 0.590 | 0.270 | 0.600(1) | 0.280(1) | 0.600 | 0.280 | 0.590 | 0.320 | 0.590 | 0.320 | 0.500 | 0.130 | 0.070 | 0.500 |
| 2mwfA_2nntA | 32 | 27450; 38; 21 | 0.203 | 31463121.980 | 30501989.130 | 0.610(3) | 0.240(16) | 0.590 | 0.200 | 0.560(6) | 0.250(16) | 0.540 | 0.210 | 0.600 | 0.260 | 0.600 | 0.260 | 0.120 | 0.000 | 0.030 | 0.000 |
| 2n54B_2hdmA | 74 | 8000; 75; 21 | 0.338 | 88033507.850 | 58903203.940 | 0.400(15) | 0.720(5) | 0.380 | 0.770 | 0.430(12) | 0.730(5) | 0.380 | 0.780 | 0.410 | 0.750 | 0.410 | 0.750 | 0.570 | 0.900 | 0.210 | 0.450 |
| 2namA_1uxmK | 153 | 21236; 153; 21 | 0.185 | 714316.140 | 1087.280 | 0.190(14) | 0.990(8) | 0.170 | 0.990 | 0.190(16) | 0.990(1) | 0.180 | 0.990 | 0.220 | 0.990 | 0.230 | 0.990 | 0.040 | 0.800 | 0.130 | 0.380 |
| 2p3vD_2p3vA | 254 | 8979; 254; 19 | 0.956 | 591.370 | 591.370 | 0.970(0) | 0.970(0) | 0.980 | 0.980 | 0.970(6) | 0.970(6) | 0.940 | 0.940 | 0.940 | 0.940 | 0.940 | 0.940 | 0.580 | 0.600 | 0.430 | 0.430 |
| 2pbkB_3njqA | 227 | 364; 228; 1 | 0.849 | 1023.510 | 603.920 | 0.980(0) | 0.860(0) | 0.980 | 0.860 | 0.980(0) | 0.860(0) | 0.980 | 0.870 | 0.850 | 0.910 | 0.840 | 0.910 | 0.340 | 0.300 | 0.040 | 0.030 |
| 2qqjA_4qdsA | 315 | 17346; 319; 18 | 0.887 | -295.060 | -250.030 | 0.980(13) | 0.890(0) | 0.990 | 0.890 | 0.990(13) | 0.970(3) | 0.980 | 0.880 | 0.970 | 0.890 | 0.970 | 0.890 | 0.260 | 0.420 | 0.120 | 0.240 |
| 2uy7D_5fluE | 163 | 5681; 163; 21 | 0.726 | 2914.580 | -1506.650 | 0.340(14) | 0.930(6) | 0.340 | 0.930 | 0.340(14) | 0.900(6) | 0.340 | 0.920 | 0.350 | 0.830 | 0.350 | 0.830 | 0.500 | 0.530 | 0.300 | 0.310 |
| 2vfxL_3gmhL | 203 | 6124; 203; 20 | 0.700 | 17194.790 | 9928.370 | 0.940(9) | 0.970(9) | 0.940 | 0.970 | 0.940(9) | 0.970(9) | 0.920 | 0.930 | 0.940 | 0.950 | 0.940 | 0.950 | 0.400 | 0.670 | 0.090 | 0.280 |
| 2wcdX_4phqA | 291 | 287; 291; 1 | 0.509 | 18041.940 | -1279.220 | 0.540(0) | 0.890(0) | 0.540 | 0.890 | 0.520(0) | 0.930(0) | 0.520 | 0.940 | 0.590 | 0.820 | 0.590 | 0.820 | 0.410 | 0.020 | 0.220 | 0.010 |
| 2z9oB_1repC | 218 | 4821; 227; 16 | 0.594 | 4726.560 | 1503.470 | 0.620(2) | 0.830(2) | 0.630 | 0.890 | 0.660(2) | 0.920(2) | 0.620 | 0.980 | 0.680 | 0.930 | 0.680 | 0.930 | 0.060 | 0.060 | 0.040 | 0.040 |
| 3g0hA_3ewsB | 408 | 31306; 418; 18 | 0.626 | 400.620 | 1387.840 | 0.910(0) | 0.890(0) | 0.910 | 0.890 | 0.900(12) | 0.720(12) | 0.900 | 0.720 | 0.920 | 0.730 | 0.920 | 0.730 | 0.080 | 0.080 | 0.030 | 0.030 |
| 3hdfA_3hdeA | 165 | 17609; 165; 21 | 0.774 | -180.930 | 94.330 | 0.830(11) | 0.980(1) | 0.800 | 0.980 | 0.800(1) | 0.980(1) | 0.800 | 0.980 | 0.770 | 0.880 | 0.770 | 0.880 | 0.240 | 0.450 | 0.380 | 0.450 |
| 3j7vG_3j7wB | 343 | 2109; 343; 5 | 0.696 | 47796.590 | 24007.590 | 0.860(4) | 0.700(4) | 0.860 | 0.790 | 0.860(4) | 0.720(4) | 0.860 | 0.790 | 0.840 | 0.750 | 0.840 | 0.750 | 0.340 | 0.350 | 0.200 | 0.200 |
| 3kdsG_2ce7C | 426 | 61434; 435; 19 | 0.547 | 1702.780 | 6812.950 | 0.870(14) | 0.750(16) | 0.810 | 0.750 | 0.850(14) | 0.800(0) | 0.820 | 0.810 | 0.880 | 0.710 | 0.880 | 0.710 | 0.630 | 0.120 | 0.400 | 0.070 |
| 3l5nB_2a73B | 976 | 11084; 982; 14 | 0.302 | 13397.870 | 8852.640 | 0.280(0) | 0.290(0) | 0.280 | 0.290 | 0.290(4) | 0.280(5) | 0.280 | 0.270 | 0.290 | 0.310 | 0.280 | 0.280 | 0.360 | 0.350 | 0.100 | 0.100 |
| 3l9qB_4rr2D | 429 | 8808; 430; 14 | 0.872 | -147.150 | 6222.200 | 0.860(13) | 0.280(9) | 0.860 | 0.290 | 0.860(9) | 0.280(9) | 0.860 | 0.280 | 0.860 | 0.290 | 0.860 | 0.290 | 0.120 | 0.540 | 0.090 | 0.350 |
| 3lowA_3m1bF | 100 | 7853; 100; 20 | 0.547 | 295.760 | 22896.300 | 0.570(13) | 0.320(15) | 0.560 | 0.320 | 0.570(13) | 0.320(13) | 0.570 | 0.320 | 0.570 | 0.340 | 0.570 | 0.340 | 0.330 | 1.000 | 0.330 | 0.350 |
| 3lqcA_1xntA | 151 | 4032; 152; 11 | 0.722 | -12.260 | 196708343.500 | 0.760(12) | 0.870(12) | 0.780 | 0.880 | 0.770(0) | 0.860(12) | 0.780 | 0.890 | 0.770 | 0.880 | 0.770 | 0.880 | 0.500 | 0.350 | 0.220 | 0.130 |
| 3m7pA_3ejhA | 301 | 10678; 310; 7 | 0.500 | 12282.820 | 1813.380 | 0.380(1) | 0.760(1) | 0.380 | 0.930 | 0.380(6) | 0.630(2) | 0.380 | 0.790 | 0.400 | 0.880 | 0.400 | 0.880 | 0.550 | 0.210 | 0.100 | 0.050 |
| 3meeA_4b3oB | 552 | 8751; 552; 10 | 0.454 | 1816.500 | 2404.010 | 0.800(1) | 0.780(1) | 0.620 | 0.640 | 0.820(2) | 0.800(2) | 0.820 | 0.800 | 0.790 | 0.800 | 0.790 | 0.800 | 0.610 | 0.500 | 0.210 | 0.180 |
| 3mkoA_5ineA | 348 | 469; 348; 1 | 0.321 | 274.420 | 32695.900 | 0.480(0) | 0.610(0) | 0.500 | 0.510 | 0.500(0) | 0.450(0) | 0.490 | 0.450 | 0.540 | 0.300 | 0.540 | 0.310 | 0.000 | 0.800 | 0.000 | 0.030 |
| 3r9jC_2kxoA | 89 | 14714; 90; 20 | 0.420 | 757.000 | 35755611.310 | 0.190(2) | 0.740(2) | 0.150 | 0.390 | 0.170(2) | 0.680(2) | 0.160 | 0.570 | 0.180 | 0.580 | 0.190 | 0.580 | 0.500 | 0.480 | 0.360 | 0.500 |
| 3t5oA_4a5wB | 871 | 36901; 901; 2 | 0.587 | 12126.570 | 13780.200 | 0.610(1) | 0.150(0) | 0.600 | 0.150 | 0.600(0) | 0.180(1) | 0.600 | 0.160 | 0.540 | 0.190 | 0.540 | 0.190 | 0.300 | 0.330 | 0.040 | 0.050 |
| 3v0tA_3uyiA | 312 | 38736; 313; 20 | 0.925 | 203.780 | 41.270 | 0.940(5) | 0.880(5) | 0.950 | 0.880 | 0.940(5) | 0.880(5) | 0.940 | 0.880 | 0.950 | 0.870 | 0.950 | 0.870 | 0.540 | 0.400 | 0.380 | 0.260 |
| 3ztjE_5hmgA | 328 | 1832; 328; 5 | 0.994 | 31555.320 | 19680.540 | 0.820(0) | 0.800(0) | 0.930 | 0.900 | 0.840(0) | 0.820(0) | 0.950 | 0.940 | 0.570 | 0.560 | 0.570 | 0.550 | 0.350 | 0.370 | 0.030 | 0.030 |
| 3zxgB_5ec5P | 293 | 113; 293; 0 | 0.580 | 329.400 | 8919.940 | - | - | 0.880 | 0.540 | - | - | 0.910 | 0.560 | 0.780 | 0.570 | 0.780 | 0.570 | 0.690 | 0.690 | 0.140 | 0.150 |
| 4aalA_4aanA | 323 | 31699; 324; 19 | 0.880 | -158.410 | -491.270 | 0.880(0) | 0.990(0) | 0.880 | 0.990 | 0.880(0) | 1.000(0) | 0.880 | 0.990 | 0.860 | 0.970 | 0.860 | 0.970 | 0.170 | 0.060 | 0.070 | 0.020 |
| 4cmqB_4zt0C | 1276 | 8978; 1338; 7 | 0.544 | 4266.450 | 4201.980 | 0.550(0) | 0.760(0) | 0.550 | 0.760 | 0.530(0) | 0.830(0) | 0.530 | 0.830 | 0.420 | 0.640 | 0.300 | 0.260 | 0.070 | 0.050 | 0.040 | 0.040 |
| 4dxrA_4dxtA | 198 | 7449; 198; 20 | 0.929 | 1125.280 | 135.770 | 0.930(15) | 0.890(3) | 0.920 | 0.910 | 0.930(15) | 0.890(3) | 0.940 | 0.920 | 0.910 | 0.870 | 0.910 | 0.870 | 0.390 | 0.030 | 0.150 | 0.020 |
| 4g0dZ_4fu4C | 26 | 10; 26; 0 | 0.326 | 1245.310 | 1806.020 | - | - | 0.060 | 0.060 | - | - | 0.060 | 0.060 | 0.050 | 0.060 | 0.050 | 0.060 | - | - | - | - |
| 4gqcB_4gqcC | 161 | 17788; 161; 21 | 0.920 | -990.730 | -990.730 | 0.920(3) | 0.920(3) | 0.920 | 0.920 | 0.920(3) | 0.920(3) | 0.920 | 0.920 | 0.920 | 0.920 | 0.920 | 0.920 | 0.170 | 0.260 | 0.120 | 0.170 |
| 4h2aA_3j9cA | 704 | 5321; 724; 3 | 0.737 | -1090.610 | 544.340 | 0.850(0) | 0.770(1) | 0.860 | 0.760 | 0.920(0) | 0.850(0) | 0.810 | 0.780 | 0.740 | 0.720 | 0.740 | 0.730 | 0.280 | 0.100 | 0.090 | 0.050 |
| 4n9wA_4nc9C | 360 | 17642; 370; 17 | 0.829 | -605.300 | 3194.480 | 0.910(0) | 0.860(1) | 0.900 | 0.860 | 0.910(0) | 0.840(1) | 0.910 | 0.840 | 0.910 | 0.830 | 0.910 | 0.830 | 0.130 | 0.140 | 0.070 | 0.090 |
| 4o01D_4o0pA | 485 | 16495; 491; 16 | 0.848 | 447.620 | 896.890 | 0.630(1) | 0.730(0) | 0.620 | 0.730 | 0.840(5) | 0.950(1) | 0.820 | 0.930 | 0.950 | 0.890 | 0.950 | 0.890 | 0.420 | 0.390 | 0.250 | 0.230 |
| 4ow6B_4ae0A | 499 | 142; 523; 0 | 0.650 | 2467.500 | -231.350 | - | - | 0.470 | 0.400 | - | - | 0.510 | 0.420 | 0.450 | 0.480 | 0.450 | 0.470 | 0.050 | 0.050 | 0.000 | 0.000 |
| 4pyjA_4pyiA | 208 | 15552; 208; 19 | 0.882 | -217.200 | -317.590 | 0.890(0) | 0.950(0) | 0.890 | 0.950 | 0.890(0) | 0.960(17) | 0.890 | 0.950 | 0.880 | 0.960 | 0.880 | 0.960 | 0.580 | 0.110 | 0.460 | 0.070 |
| 4q79F_4uv2D | 230 | 6240; 240; 19 | 0.764 | 9311.180 | -1527.330 | 0.850(7) | 0.850(11) | 0.900 | 0.840 | 0.930(4) | 0.920(11) | 0.800 | 0.940 | 0.830 | 0.850 | 0.830 | 0.850 | 0.510 | 0.400 | 0.320 | 0.090 |
| 4qhhA_4qhfA | 109 | 2560; 109; 10 | 0.645 | 130.980 | 59.750 | 0.650(0) | 0.950(0) | 0.640 | 0.950 | 0.640(0) | 0.950(0) | 0.640 | 0.950 | 0.650 | 0.940 | 0.650 | 0.940 | 0.390 | 0.580 | 0.320 | 0.470 |
| 4rmbB_4rmbA | 155 | 51; 155; 0 | 0.955 | -30.110 | -30.110 | - | - | 0.840 | 0.840 | - | - | 0.850 | 0.850 | 0.770 | 0.770 | 0.770 | 0.770 | 0.410 | 0.410 | 0.050 | 0.050 |
| 4rwqB_4rwnA | 349 | 3917; 349; 11 | 0.894 | 1486.060 | -202.330 | 0.940(1) | 0.930(8) | 0.940 | 0.940 | 0.950(6) | 0.940(2) | 0.940 | 0.930 | 0.900 | 0.970 | 0.900 | 0.970 | 0.490 | 0.420 | 0.160 | 0.110 |
| 4tsyD_3zwgN | 178 | 1090; 178; 1 | 0.851 | -400.740 | 279.960 | 0.850(0) | 0.990(0) | 0.850 | 0.990 | 0.850(0) | 0.990(0) | 0.850 | 0.990 | 0.850 | 0.980 | 0.850 | 0.980 | 0.680 | 0.660 | 0.310 | 0.260 |
| 4xwsD_4y0mJ | 206 | 17709; 209; 20 | 0.932 | 992.600 | -253.800 | 0.860(7) | 0.960(7) | 0.870 | 0.970 | 0.870(7) | 0.950(7) | 0.870 | 0.960 | 0.870 | 0.920 | 0.870 | 0.920 | 0.660 | 0.210 | 0.450 | 0.170 |
| 4ydqB_4twaA | 488 | 29788; 488; 17 | 0.941 | -193.390 | 2114.870 | 0.990(3) | 0.930(3) | 0.980 | 0.920 | 0.990(3) | 0.930(3) | 0.990 | 0.930 | 0.970 | 0.920 | 0.970 | 0.920 | 0.040 | 0.100 | 0.020 | 0.050 |
| 4yhdG_7ahlE | 293 | 588; 293; 2 | 0.826 | 524.050 | 1564.070 | 0.960(0) | 0.780(0) | 0.960 | 0.790 | 0.980(0) | 0.790(0) | 0.980 | 0.790 | 0.860 | 0.710 | 0.860 | 0.710 | 0.610 | 0.550 | 0.190 | 0.230 |
| 4zrbH_4zrbC | 126 | 5377; 126; 21 | 0.929 | -1396.520 | -1396.520 | 0.980(13) | 0.980(13) | 0.990 | 0.990 | 0.990(13) | 0.990(13) | 0.990 | 0.990 | 0.930 | 0.930 | 0.930 | 0.930 | 0.830 | 0.810 | 0.490 | 0.450 |
| 5bmyA_5b3zA | 402 | 8635; 403; 16 | 0.941 | 434.280 | 2068.260 | 0.940(0) | 0.890(5) | 0.940 | 0.890 | 0.940(7) | 0.890(7) | 0.940 | 0.890 | 0.940 | 0.890 | 0.940 | 0.890 | 0.210 | 0.230 | 0.130 | 0.150 |
| 5c1vB_5c1vA | 317 | 32596; 318; 18 | 0.941 | 3268.950 | 3268.950 | 0.990(10) | 0.990(10) | 0.990 | 0.990 | 0.990(10) | 0.990(10) | 0.990 | 0.990 | 0.990 | 0.990 | 0.990 | 0.990 | 0.520 | 0.520 | 0.240 | 0.220 |
| 5c3iF_3kuyA | 96 | 16151; 97; 0 | 0.795 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - |
| 5et5A_3ifaA | 326 | 29615; 326; 20 | 0.969 | -176.370 | -742.970 | 0.970(3) | 0.950(3) | 0.970 | 0.960 | 0.970(3) | 0.960(3) | 0.980 | 0.960 | 0.960 | 0.930 | 0.960 | 0.930 | 0.620 | 0.100 | 0.310 | 0.050 |
| 5f5rB_5f3kA | 222 | 32225; 225; 19 | 0.779 | -109.340 | -181.030 | 0.930(12) | 0.800(3) | 0.930 | 0.800 | 0.900(12) | 0.790(12) | 0.920 | 0.800 | 0.860 | 0.790 | 0.860 | 0.790 | 0.110 | 0.090 | 0.040 | 0.040 |
| 5hk5H_4jphB | 119 | 3332; 119; 12 | 0.727 | 2084.100 | 982.140 | 0.640(10) | 0.710(10) | 0.700 | 0.740 | 0.680(3) | 0.740(3) | 0.640 | 0.740 | 0.680 | 0.700 | 0.680 | 0.700 | 0.830 | 0.860 | 0.330 | 0.320 |
| 5i2sA_5i2mA | 413 | 154; 413; 1 | 0.373 | 2904.020 | 1353.900 | 0.420(0) | 0.570(0) | 0.420 | 0.550 | 0.530(0) | 0.480(0) | 0.530 | 0.420 | 0.490 | 0.510 | 0.490 | 0.500 | 0.620 | 0.620 | 0.030 | 0.040 |
| 5jytA_2qkeE | 106 | 14458; 108; 22 | 0.453 | 105752958.590 | 2865.500 | 0.830(5) | 0.520(5) | 0.750 | 0.490 | 0.840(12) | 0.530(19) | 0.750 | 0.470 | 0.780 | 0.490 | 0.780 | 0.490 | 0.610 | 0.320 | 0.380 | 0.210 |
| 5jztG_5jzhA | 424 | 725; 424; 1 | 0.573 | 62318.250 | -6165.040 | 0.600(0) | 0.920(0) | 0.600 | 0.880 | 0.600(0) | 0.930(0) | 0.600 | 0.940 | 0.520 | 0.690 | 0.520 | 0.690 | 0.520 | 0.550 | 0.280 | 0.240 |
| 5l35G_5l35D | 422 | 256; 422; 1 | 0.895 | 1785.000 | 1785.000 | 0.860(0) | 0.860(0) | 0.840 | 0.840 | 0.860(0) | 0.860(0) | 0.860 | 0.860 | 0.840 | 0.840 | 0.840 | 0.840 | 0.460 | 0.480 | 0.240 | 0.240 |
| 5lj3M_3tp2A | 252 | 9773; 252; 6 | 0.818 | 89711.770 | -6.750 | 0.900(0) | 0.890(4) | 0.920 | 0.910 | 0.900(5) | 0.910(4) | 0.900 | 0.860 | 0.850 | 0.890 | 0.850 | 0.890 | 0.670 | 0.760 | 0.160 | 0.190 |
| 5ly6B_5aoeB | 488 | 2201; 488; 4 | 0.478 | 11056.990 | 2118.030 | 0.480(1) | 0.810(0) | 0.480 | 0.800 | 0.480(0) | 0.890(1) | 0.480 | 0.890 | 0.470 | 0.840 | 0.470 | 0.840 | 0.530 | 0.550 | 0.290 | 0.280 |
| 5tpnA_1g2cF | 490 | 308; 490; 0 | 0.718 | 3135.870 | 1208.100 | - | - | 0.350 | 0.820 | - | - | 0.660 | 0.820 | 0.580 | 0.840 | 0.580 | 0.840 | 0.190 | 0.000 | 0.020 | - |
| 5wrgC_1wyyB | 736 | 1282; 736; 2 | 0.419 | 25448.540 | 112.290 | 0.470(1) | 0.620(0) | 0.480 | 0.620 | 0.370(1) | 0.630(1) | 0.340 | 0.700 | 0.300 | 0.630 | 0.300 | 0.640 | 0.670 | 0.000 | 0.040 | 0.000 |
| 6c6sD_2ougC | 161 | 11386; 161; 19 | 0.592 | 4248.940 | 4501.130 | 0.600(16) | 0.890(14) | 0.560 | 0.890 | 0.790(14) | 0.900(14) | 0.560 | 0.900 | 0.580 | 0.830 | 0.580 | 0.830 | 0.630 | 0.470 | 0.470 | 0.380 |
| 7kdtB_6z4uA | 84 | 23; 84; 0 | 0.232 | -817.670 | 2921.690 | - | - | 0.430 | 0.260 | - | - | 0.400 | 0.280 | 0.370 | 0.230 | 0.370 | 0.230 | 0.000 | 1.000 | 0.000 | 0.010 |
| Averages | 292.43 (219.56) | 10302 ; 296.05 ; 11.76 | 0.66 (0.23) | 9288856.09 (28682760.66) | 7724433.02 (30864262.91) | 0.73 (0.23) | 0.75 (0.24) | 0.71 (0.24) | 0.73 (0.26) | 0.74 (0.22) | 0.75 (0.25) | 0.72 (0.23) | 0.74 (0.27) | 0.69 (0.23) | 0.71 (0.25) | 0.69 (0.23) | 0.71 (0.26) | 0.41 (0.25) | 0.40 (0.27) | 0.20 (0.16) | 0.20 (0.17) |
#RES: Number of residues in the longer chain of the pair.
MSA: DEPTH; #RES; #Clusters: DEPTH = number of sequences in DeepMsa.a3m; #RES = alignment width (columns, including gaps); #Clusters = count of ShallowMsa_* a3m files.
PAIR_TM: TM-score between the two ground-truth folds (max of the two directions).
ΔG1: Rosetta full-atom (Ref2015) energy of Fold1 (lower is more stable).
ΔG2: Rosetta full-atom (Ref2015) energy of Fold2 (lower is more stable).
AF2Clust_TM1: Best TM-score to Fold1 among AF2 predictions built from any shallow cluster (number in parentheses is the cluster id).
AF2Clust_TM2: Best TM-score to Fold2 among AF2 predictions from shallow clusters.
AF2Deep_TM1: Best TM-score to Fold1 among AF2 predictions built from the DeepMsa alignment.
AF2Deep_TM2: Best TM-score to Fold2 among AF2 predictions from DeepMsa.
AF3Clust_TM1: Best TM-score to Fold1 among AF3 predictions from shallow clusters.
AF3Clust_TM2: Best TM-score to Fold2 among AF3 predictions from shallow clusters.
AF3Deep_TM1: Best TM-score to Fold1 among AF3 predictions from DeepMsa.
AF3Deep_TM2: Best TM-score to Fold2 among AF3 predictions from DeepMsa.
ESM2_TM1: Best TM-score to Fold1 among all ESMFold(ESM2) predictions (across all sampled sequences from all clusters; no MSA used).
ESM2_TM2: Best TM-score to Fold2 among all ESMFold(ESM2) predictions.
ESM3_TM1: Best TM-score to Fold1 among all ESMFold(ESM3) predictions.
ESM3_TM2: Best TM-score to Fold2 among all ESMFold(ESM3) predictions.
MSATrans_CMAP_PR1: Maximum precision of MSA-Transformer contact map vs Fold1 truth (threshold=0.4; |i−j|≥6).
MSATrans_CMAP_PR2: Maximum precision vs Fold2 truth (same settings).
MSATrans_CMAP_RE1: Maximum recall vs Fold1 truth.
MSATrans_CMAP_RE2: Maximum recall vs Fold2 truth.
Note: rows shown dimmed have fewer than 2 clusters in the shallow MSA and are de-emphasized.