# RMSD summary data for each initial structure versus each run # Structure Index Run Index Average RMSD RMSD Fluctuations 1 1 2.3296 1.2111 1 2 2.0457 1.0286 1 3 1.6111 0.8736 1 4 1.4493 0.4868 1 5 2.3158 1.2847 1 6 2.0930 1.0559 1 7 1.4453 0.5136 1 8 1.8946 0.9687 1 9 1.4939 0.6000 1 10 1.8663 1.3146 1 11 2.5219 1.6020 1 12 1.4802 0.5351 1 13 1.5079 0.8088 1 14 2.2751 1.1830 1 15 1.2344 0.4571 1 16 1.5855 0.7034 1 17 1.4271 0.4939 1 18 1.7480 1.0269 1 19 1.3754 0.4868 1 20 1.5415 0.5159 1 21 1.7344 0.8137 1 22 2.1002 1.0928 1 23 2.0263 1.1928 1 24 1.4254 0.5139 1 25 1.5727 0.6869 1 26 2.4784 1.6092 1 27 1.3769 0.4810 1 28 1.3204 0.4330 1 29 1.4219 0.5056 1 30 3.1287 1.7399 1 31 1.3210 0.4464 1 32 2.5866 1.6027 2 1 2.3307 1.2227 2 2 2.0459 1.0369 2 3 1.6049 0.8807 2 4 1.4318 0.4875 2 5 2.3214 1.2957 2 6 2.0924 1.0672 2 7 1.4291 0.5165 2 8 1.8853 0.9825 2 9 1.4729 0.6039 2 10 1.8503 1.2952 2 11 2.5690 1.6462 2 12 1.4685 0.5374 2 13 1.4993 0.8201 2 14 2.2672 1.1825 2 15 1.2247 0.4608 2 16 1.5839 0.7068 2 17 1.4073 0.4941 2 18 1.7301 1.0208 2 19 1.3608 0.4868 2 20 1.5316 0.5185 2 21 1.7222 0.8247 2 22 2.0895 1.0991 2 23 2.0101 1.1811 2 24 1.4131 0.5157 2 25 1.5670 0.6936 2 26 2.4380 1.5862 2 27 1.3601 0.4816 2 28 1.3214 0.4343 2 29 1.4094 0.5061 2 30 3.0799 1.7121 2 31 1.2971 0.4466 2 32 2.5518 1.5748 3 1 1.8164 1.0109 3 2 1.5541 0.8372 3 3 1.2462 0.7022 3 4 1.1364 0.4146 3 5 1.8031 1.0941 3 6 1.5828 0.9052 3 7 1.1299 0.4441 3 8 1.4930 0.8099 3 9 1.2015 0.5061 3 10 1.6139 1.3772 3 11 2.5996 1.8323 3 12 1.1449 0.4397 3 13 1.1932 0.6530 3 14 1.8007 1.1362 3 15 1.0409 0.4013 3 16 1.1935 0.5960 3 17 1.1467 0.4304 3 18 1.4249 0.9768 3 19 1.1045 0.4299 3 20 1.1740 0.4299 3 21 1.3703 0.6766 3 22 1.6341 0.9097 3 23 1.6797 1.2583 3 24 1.1106 0.4204 3 25 1.1895 0.5838 3 26 2.2809 1.6996 3 27 1.0781 0.4172 3 28 0.9658 0.3753 3 29 1.0946 0.4284 3 30 2.9829 1.8485 3 31 1.0257 0.4007 3 32 2.3576 1.7295 4 1 2.0124 1.1222 4 2 1.7652 0.9114 4 3 1.4052 0.7654 4 4 1.1835 0.4525 4 5 2.0702 1.1745 4 6 1.8129 1.0032 4 7 1.2153 0.4959 4 8 1.6142 0.9460 4 9 1.2011 0.5624 4 10 1.6922 1.1946 4 11 3.1524 2.1761 4 12 1.2597 0.4925 4 13 1.3424 0.7585 4 14 1.9664 1.1156 4 15 1.1295 0.4323 4 16 1.4486 0.6446 4 17 1.1687 0.4577 4 18 1.4610 0.9079 4 19 1.1686 0.4431 4 20 1.3058 0.4849 4 21 1.4687 0.7914 4 22 1.7478 0.9771 4 23 1.7699 1.1238 4 24 1.2050 0.4703 4 25 1.3857 0.6580 4 26 2.1242 1.5085 4 27 1.1401 0.4457 4 28 1.2719 0.4208 4 29 1.1969 0.4641 4 30 2.7624 1.6099 4 31 1.0330 0.4227 4 32 2.2624 1.4830 5 1 2.1946 1.1910 5 2 1.9079 1.0163 5 3 1.4766 0.8544 5 4 1.3120 0.4549 5 5 2.1677 1.2749 5 6 1.9377 1.0474 5 7 1.2943 0.4918 5 8 1.7562 0.9477 5 9 1.3618 0.5726 5 10 1.7244 1.3119 5 11 2.4241 1.6177 5 12 1.3394 0.5064 5 13 1.3633 0.7910 5 14 2.1225 1.1755 5 15 1.1305 0.4064 5 16 1.4168 0.6965 5 17 1.2903 0.4653 5 18 1.6127 1.0210 5 19 1.2483 0.4579 5 20 1.4025 0.4891 5 21 1.5989 0.7874 5 22 1.9572 1.0786 5 23 1.8758 1.1937 5 24 1.2958 0.4796 5 25 1.4140 0.6751 5 26 2.3361 1.5985 5 27 1.2367 0.4548 5 28 1.1347 0.4221 5 29 1.2841 0.4780 5 30 2.9831 1.7358 5 31 1.1708 0.4161 5 32 2.4448 1.5946 6 1 2.2453 1.2152 6 2 1.9602 1.0303 6 3 1.5179 0.8696 6 4 1.3291 0.4659 6 5 2.2350 1.2930 6 6 1.9941 1.0694 6 7 1.3194 0.5048 6 8 1.7893 0.9803 6 9 1.3686 0.5881 6 10 1.7469 1.2638 6 11 2.5688 1.7100 6 12 1.3713 0.5199 6 13 1.4036 0.8178 6 14 2.1614 1.1713 6 15 1.1577 0.4286 6 16 1.4813 0.7037 6 17 1.3024 0.4736 6 18 1.6268 1.0033 6 19 1.2701 0.4649 6 20 1.4372 0.5027 6 21 1.6259 0.8165 6 22 1.9866 1.0898 6 23 1.8983 1.1626 6 24 1.3232 0.4932 6 25 1.4653 0.6902 6 26 2.2996 1.5448 6 27 1.2574 0.4639 6 28 1.2141 0.4303 6 29 1.3137 0.4869 6 30 2.9271 1.6686 6 31 1.1781 0.4261 6 32 2.4206 1.5290 7 1 1.7994 0.9838 7 2 1.5411 0.8133 7 3 1.2526 0.6866 7 4 1.1590 0.4251 7 5 1.7861 1.0663 7 6 1.5739 0.8830 7 7 1.1537 0.4497 7 8 1.4988 0.7899 7 9 1.2271 0.5083 7 10 1.6372 1.3940 7 11 2.5692 1.8080 7 12 1.1612 0.4459 7 13 1.2079 0.6390 7 14 1.7992 1.1327 7 15 1.0621 0.4130 7 16 1.2025 0.5876 7 17 1.1738 0.4402 7 18 1.4434 0.9790 7 19 1.1262 0.4420 7 20 1.1860 0.4345 7 21 1.3822 0.6644 7 22 1.6345 0.8887 7 23 1.6961 1.2726 7 24 1.1277 0.4276 7 25 1.2000 0.5762 7 26 2.3231 1.7171 7 27 1.1022 0.4278 7 28 0.9809 0.3790 7 29 1.1126 0.4368 7 30 3.0316 1.8683 7 31 1.0580 0.4147 7 32 2.3923 1.7529 8 1 2.3885 1.2321 8 2 2.1016 1.0517 8 3 1.6524 0.8968 8 4 1.4881 0.5007 8 5 2.3716 1.3068 8 6 2.1496 1.0736 8 7 1.4818 0.5274 8 8 1.9422 0.9865 8 9 1.5315 0.6148 8 10 1.8943 1.3143 8 11 2.5285 1.5746 8 12 1.5198 0.5518 8 13 1.5424 0.8297 8 14 2.3294 1.1915 8 15 1.2588 0.4768 8 16 1.6255 0.7197 8 17 1.4619 0.5081 8 18 1.7874 1.0386 8 19 1.4087 0.5025 8 20 1.5850 0.5305 8 21 1.7779 0.8314 8 22 2.1555 1.1157 8 23 2.0653 1.1912 8 24 1.4640 0.5303 8 25 1.6141 0.7023 8 26 2.5046 1.6018 8 27 1.4128 0.4956 8 28 1.3525 0.4462 8 29 1.4609 0.5203 8 30 3.1488 1.7311 8 31 1.3580 0.4575 8 32 2.6155 1.5912 9 1 1.9048 0.9981 9 2 1.6461 0.8234 9 3 1.3514 0.6978 9 4 1.2668 0.4436 9 5 1.9020 1.0714 9 6 1.6993 0.8909 9 7 1.2683 0.4635 9 8 1.6107 0.8026 9 9 1.3301 0.5248 9 10 1.7401 1.4006 9 11 2.6320 1.7832 9 12 1.2705 0.4661 9 13 1.3091 0.6520 9 14 1.9275 1.1377 9 15 1.1331 0.4108 9 16 1.3280 0.6000 9 17 1.2782 0.4537 9 18 1.5463 0.9845 9 19 1.2200 0.4517 9 20 1.2974 0.4538 9 21 1.4927 0.6781 9 22 1.7541 0.8985 9 23 1.8180 1.2702 9 24 1.2267 0.4490 9 25 1.3224 0.5834 9 26 2.4377 1.7304 9 27 1.2079 0.4418 9 28 1.1100 0.3879 9 29 1.2180 0.4556 9 30 3.1492 1.8817 9 31 1.1737 0.4288 9 32 2.5073 1.7649 10 1 1.8270 0.9707 10 2 1.5685 0.8082 10 3 1.2810 0.6847 10 4 1.2009 0.4304 10 5 1.8074 1.0577 10 6 1.6055 0.8751 10 7 1.1888 0.4547 10 8 1.5367 0.7804 10 9 1.2696 0.5097 10 10 1.6586 1.3941 10 11 2.5859 1.7916 10 12 1.1992 0.4533 10 13 1.2320 0.6382 10 14 1.8358 1.1238 10 15 1.0872 0.4097 10 16 1.2259 0.5920 10 17 1.2123 0.4456 10 18 1.4783 0.9778 10 19 1.1613 0.4487 10 20 1.2284 0.4397 10 21 1.4219 0.6592 10 22 1.6743 0.8823 10 23 1.7272 1.2657 10 24 1.1678 0.4335 10 25 1.2288 0.5783 10 26 2.3567 1.7100 10 27 1.1401 0.4347 10 28 0.9904 0.3844 10 29 1.1520 0.4444 10 30 3.0584 1.8632 10 31 1.0990 0.4183 10 32 2.4262 1.7445 11 1 2.3235 1.2018 11 2 2.0399 1.0212 11 3 1.6105 0.8683 11 4 1.4565 0.4890 11 5 2.3091 1.2762 11 6 2.0902 1.0491 11 7 1.4519 0.5149 11 8 1.8972 0.9614 11 9 1.5023 0.5996 11 10 1.8726 1.3239 11 11 2.5125 1.5971 11 12 1.4852 0.5365 11 13 1.5099 0.8037 11 14 2.2765 1.1818 11 15 1.2374 0.4582 11 16 1.5860 0.7026 11 17 1.4351 0.4963 11 18 1.7535 1.0279 11 19 1.3810 0.4894 11 20 1.5457 0.5171 11 21 1.7392 0.8089 11 22 2.1015 1.0859 11 23 2.0327 1.1990 11 24 1.4301 0.5158 11 25 1.5745 0.6845 11 26 2.4950 1.6194 11 27 1.3834 0.4834 11 28 1.3197 0.4347 11 29 1.4267 0.5080 11 30 3.1490 1.7523 11 31 1.3305 0.4489 11 32 2.6009 1.6151 12 1 2.2137 1.2821 12 2 1.9263 1.0765 12 3 1.4699 0.9030 12 4 1.2493 0.4709 12 5 2.2134 1.3436 12 6 1.9514 1.1072 12 7 1.2615 0.5044 12 8 1.7215 1.0217 12 9 1.2888 0.6031 12 10 1.7298 1.3085 12 11 2.4508 1.6688 12 12 1.2979 0.5148 12 13 1.3664 0.8321 12 14 2.1153 1.2236 12 15 1.1013 0.4457 12 16 1.4502 0.7017 12 17 1.2332 0.4762 12 18 1.5750 1.0481 12 19 1.1981 0.4645 12 20 1.3526 0.5030 12 21 1.5517 0.8443 12 22 1.9321 1.1431 12 23 1.8643 1.2148 12 24 1.2389 0.4945 12 25 1.4180 0.7024 12 26 2.2861 1.6205 12 27 1.1860 0.4619 12 28 1.2154 0.4188 12 29 1.2334 0.4869 12 30 2.9542 1.7448 12 31 1.1108 0.4358 12 32 2.4038 1.6102 13 1 1.7900 0.9470 13 2 1.5340 0.7914 13 3 1.2594 0.6735 13 4 1.1875 0.4317 13 5 1.7643 1.0389 13 6 1.5664 0.8587 13 7 1.1706 0.4556 13 8 1.5119 0.7632 13 9 1.2594 0.5060 13 10 1.6400 1.3979 13 11 2.5503 1.7819 13 12 1.1814 0.4531 13 13 1.2118 0.6280 13 14 1.8000 1.1163 13 15 1.0827 0.4219 13 16 1.1927 0.5853 13 17 1.2007 0.4485 13 18 1.4618 0.9758 13 19 1.1510 0.4556 13 20 1.2089 0.4382 13 21 1.4012 0.6478 13 22 1.6437 0.8660 13 23 1.7008 1.2709 13 24 1.1554 0.4329 13 25 1.1991 0.5746 13 26 2.3438 1.7072 13 27 1.1272 0.4386 13 28 0.9541 0.3868 13 29 1.1371 0.4458 13 30 3.0436 1.8619 13 31 1.0871 0.4215 13 32 2.4101 1.7439 14 1 1.8117 0.9596 14 2 1.5526 0.8045 14 3 1.2670 0.6830 14 4 1.1927 0.4308 14 5 1.7848 1.0530 14 6 1.5866 0.8702 14 7 1.1735 0.4566 14 8 1.5258 0.7728 14 9 1.2633 0.5077 14 10 1.6380 1.3930 14 11 2.5783 1.7946 14 12 1.1885 0.4549 14 13 1.2141 0.6372 14 14 1.8190 1.1176 14 15 1.0795 0.4146 14 16 1.1996 0.5941 14 17 1.2024 0.4476 14 18 1.4667 0.9767 14 19 1.1528 0.4537 14 20 1.2197 0.4402 14 21 1.4123 0.6544 14 22 1.6617 0.8769 14 23 1.7080 1.2639 14 24 1.1615 0.4340 14 25 1.2071 0.5808 14 26 2.3393 1.7002 14 27 1.1296 0.4379 14 28 0.9525 0.3882 14 29 1.1429 0.4468 14 30 3.0349 1.8549 14 31 1.0875 0.4180 14 32 2.4091 1.7338 15 1 1.9217 0.9676 15 2 1.6667 0.8011 15 3 1.3871 0.6839 15 4 1.3220 0.4525 15 5 1.9159 1.0426 15 6 1.7260 0.8685 15 7 1.3198 0.4697 15 8 1.6511 0.7812 15 9 1.3869 0.5261 15 10 1.7822 1.4089 15 11 2.6339 1.7563 15 12 1.3195 0.4742 15 13 1.3479 0.6406 15 14 1.9617 1.1272 15 15 1.1776 0.4155 15 16 1.3631 0.5965 15 17 1.3337 0.4624 15 18 1.5931 0.9825 15 19 1.2708 0.4625 15 20 1.3463 0.4595 15 21 1.5387 0.6652 15 22 1.7912 0.8771 15 23 1.8614 1.2726 15 24 1.2776 0.4567 15 25 1.3618 0.5784 15 26 2.4977 1.7342 15 27 1.2617 0.4521 15 28 1.1415 0.3952 15 29 1.2693 0.4648 15 30 3.2079 1.8881 15 31 1.2345 0.4384 15 32 2.5629 1.7713 16 1 1.8495 0.9714 16 2 1.5904 0.8100 16 3 1.3012 0.6877 16 4 1.2269 0.4372 16 5 1.8317 1.0577 16 6 1.6344 0.8769 16 7 1.2151 0.4606 16 8 1.5638 0.7828 16 9 1.2945 0.5153 16 10 1.6801 1.3986 16 11 2.5975 1.7885 16 12 1.2253 0.4610 16 13 1.2525 0.6425 16 14 1.8672 1.1250 16 15 1.1008 0.4087 16 16 1.2527 0.5979 16 17 1.2367 0.4512 16 18 1.5014 0.9802 16 19 1.1823 0.4536 16 20 1.2557 0.4468 16 21 1.4492 0.6627 16 22 1.7030 0.8833 16 23 1.7560 1.2670 16 24 1.1911 0.4412 16 25 1.2559 0.5818 16 26 2.3846 1.7149 16 27 1.1642 0.4410 16 28 1.0145 0.3896 16 29 1.1766 0.4519 16 30 3.0868 1.8689 16 31 1.1257 0.4240 16 32 2.4544 1.7489