# RMSD summary data for each initial structure versus each run # Structure Index Run Index Average RMSD RMSD Fluctuations 1 1 1.8774 0.9444 1 2 1.4048 0.5502 1 3 1.2741 0.4651 1 4 1.3394 0.4685 1 5 1.7025 0.9263 1 6 1.6682 0.7911 1 7 1.4669 0.5934 1 8 1.3765 0.4734 1 9 1.3629 0.4859 1 10 2.2545 1.4705 1 11 1.1383 0.4166 1 12 1.2768 0.4686 1 13 1.5365 0.6794 1 14 1.3705 0.4716 1 15 4.2093 1.0064 1 16 2.8474 1.5459 1 17 1.3181 0.5285 1 18 1.2977 0.4766 1 19 1.3123 0.4702 1 20 1.2868 0.4621 1 21 1.4001 0.5296 1 22 1.3407 0.4647 1 23 1.3481 0.5089 1 24 1.3173 0.4586 1 25 1.3150 0.5200 1 26 1.3383 0.5003 1 27 1.3981 0.5097 1 28 2.7413 1.4346 1 29 1.3188 0.4779 1 30 1.5968 0.9636 1 31 1.6041 0.3610 1 32 1.3319 0.5256 2 1 1.8712 0.9578 2 2 1.3918 0.5572 2 3 1.2644 0.4680 2 4 1.3326 0.4739 2 5 1.6935 0.9419 2 6 1.6640 0.8054 2 7 1.4689 0.6038 2 8 1.3644 0.4777 2 9 1.3547 0.4916 2 10 2.2271 1.4420 2 11 1.1284 0.4170 2 12 1.2619 0.4697 2 13 1.5337 0.6893 2 14 1.3599 0.4737 2 15 4.1400 0.9966 2 16 2.7999 1.5190 2 17 1.3116 0.5349 2 18 1.2877 0.4812 2 19 1.2990 0.4740 2 20 1.2721 0.4651 2 21 1.3877 0.5345 2 22 1.3253 0.4677 2 23 1.3407 0.5141 2 24 1.3079 0.4633 2 25 1.3070 0.5266 2 26 1.3395 0.5053 2 27 1.3993 0.5165 2 28 2.7081 1.4012 2 29 1.3114 0.4818 2 30 1.5901 0.9480 2 31 1.6188 0.3728 2 32 1.3267 0.5321 3 1 1.9266 0.8542 3 2 1.5134 0.5147 3 3 1.3727 0.4586 3 4 1.4193 0.4511 3 5 1.7850 0.8198 3 6 1.7185 0.7036 3 7 1.4959 0.5413 3 8 1.4815 0.4605 3 9 1.4506 0.4669 3 10 2.4177 1.5859 3 11 1.2562 0.4231 3 12 1.4065 0.4707 3 13 1.5958 0.6187 3 14 1.4682 0.4680 3 15 4.5487 1.0415 3 16 3.0938 1.6473 3 17 1.3971 0.5027 3 18 1.3999 0.4618 3 19 1.4281 0.4644 3 20 1.4113 0.4585 3 21 1.5038 0.5048 3 22 1.4622 0.4581 3 23 1.4324 0.4859 3 24 1.4103 0.4507 3 25 1.4008 0.4909 3 26 1.3850 0.4734 3 27 1.4377 0.4764 3 28 2.9251 1.5637 3 29 1.4038 0.4666 3 30 1.6721 1.0271 3 31 1.5343 0.2941 3 32 1.4088 0.4978 4 1 2.4464 1.1328 4 2 1.9231 0.6957 4 3 1.8195 0.5769 4 4 1.8970 0.5799 4 5 2.1456 1.1873 4 6 2.2630 0.9439 4 7 2.0733 0.7094 4 8 1.9006 0.6034 4 9 1.9012 0.6155 4 10 2.5876 1.1998 4 11 1.6751 0.5112 4 12 1.7498 0.5981 4 13 2.0516 0.8557 4 14 1.9078 0.5856 4 15 3.9848 0.8948 4 16 3.0093 1.2760 4 17 1.8631 0.6458 4 18 1.8299 0.5977 4 19 1.8147 0.5955 4 20 1.7887 0.5841 4 21 1.9400 0.6645 4 22 1.8645 0.5765 4 23 1.8979 0.6349 4 24 1.8472 0.5788 4 25 1.8233 0.6679 4 26 1.9334 0.6020 4 27 1.9982 0.6170 4 28 2.9731 1.1730 4 29 1.8736 0.5842 4 30 2.1189 0.8630 4 31 2.1959 0.4388 4 32 1.8784 0.6514 5 1 1.7345 0.8002 5 2 1.3464 0.4783 5 3 1.2000 0.4317 5 4 1.2360 0.4146 5 5 1.6563 0.7483 5 6 1.5185 0.6508 5 7 1.2808 0.4908 5 8 1.3062 0.4227 5 9 1.2769 0.4282 5 10 2.2644 1.6135 5 11 1.1354 0.3936 5 12 1.2783 0.4554 5 13 1.4263 0.5632 5 14 1.2853 0.4398 5 15 4.5082 1.0470 5 16 2.9635 1.6648 5 17 1.2249 0.4664 5 18 1.2411 0.4242 5 19 1.2770 0.4426 5 20 1.2607 0.4353 5 21 1.3268 0.4660 5 22 1.2845 0.4257 5 23 1.2544 0.4464 5 24 1.2401 0.4287 5 25 1.2439 0.4626 5 26 1.2034 0.4196 5 27 1.2404 0.4197 5 28 2.7989 1.5628 5 29 1.2258 0.4320 5 30 1.4908 1.0252 5 31 1.2856 0.2541 5 32 1.2448 0.4546 6 1 1.9555 0.8322 6 2 1.5641 0.5089 6 3 1.4209 0.4624 6 4 1.4628 0.4515 6 5 1.8228 0.7921 6 6 1.7519 0.6812 6 7 1.5255 0.5320 6 8 1.5321 0.4615 6 9 1.4975 0.4662 6 10 2.4771 1.6064 6 11 1.3153 0.4274 6 12 1.4644 0.4745 6 13 1.6332 0.6041 6 14 1.5168 0.4714 6 15 4.6390 1.0477 6 16 3.1677 1.6646 6 17 1.4385 0.5013 6 18 1.4511 0.4624 6 19 1.4818 0.4680 6 20 1.4672 0.4621 6 21 1.5539 0.5012 6 22 1.5166 0.4601 6 23 1.4774 0.4840 6 24 1.4561 0.4550 6 25 1.4408 0.4891 6 26 1.4229 0.4691 6 27 1.4726 0.4709 6 28 2.9874 1.5849 6 29 1.4493 0.4682 6 30 1.7126 1.0401 6 31 1.5099 0.2787 6 32 1.4530 0.4947 7 1 1.7413 0.8523 7 2 1.3148 0.4894 7 3 1.1655 0.4274 7 4 1.2194 0.4157 7 5 1.6255 0.8122 7 6 1.5256 0.7065 7 7 1.3043 0.5297 7 8 1.2794 0.4187 7 9 1.2591 0.4276 7 10 2.1947 1.5324 7 11 1.0761 0.3783 7 12 1.2216 0.4380 7 13 1.4277 0.5988 7 14 1.2615 0.4325 7 15 4.3096 1.0210 7 16 2.8346 1.5983 7 17 1.2000 0.4781 7 18 1.2079 0.4249 7 19 1.2356 0.4313 7 20 1.2127 0.4232 7 21 1.3018 0.4718 7 22 1.2457 0.4204 7 23 1.2341 0.4558 7 24 1.2107 0.4189 7 25 1.2080 0.4669 7 26 1.2037 0.4390 7 27 1.2531 0.4428 7 28 2.7124 1.4767 7 29 1.2037 0.4327 7 30 1.4718 0.9825 7 31 1.3242 0.2910 7 32 1.2251 0.4669 8 1 1.8048 0.7756 8 2 1.4460 0.4813 8 3 1.2995 0.4449 8 4 1.3350 0.4271 8 5 1.7204 0.7335 8 6 1.6040 0.6341 8 7 1.3763 0.4998 8 8 1.4106 0.4358 8 9 1.3775 0.4397 8 10 2.3618 1.6112 8 11 1.2310 0.4059 8 12 1.3744 0.4632 8 13 1.5158 0.5667 8 14 1.3897 0.4525 8 15 4.5843 1.0467 8 16 3.0594 1.6622 8 17 1.3162 0.4782 8 18 1.3412 0.4366 8 19 1.3769 0.4533 8 20 1.3625 0.4460 8 21 1.4274 0.4720 8 22 1.3932 0.4376 8 23 1.3530 0.4570 8 24 1.3365 0.4408 8 25 1.3262 0.4715 8 26 1.2970 0.4325 8 27 1.3365 0.4324 8 28 2.8864 1.5683 8 29 1.3254 0.4450 8 30 1.5831 1.0310 8 31 1.3140 0.2501 8 32 1.3388 0.4653 9 1 1.8981 0.9640 9 2 1.4183 0.5734 9 3 1.3043 0.4812 9 4 1.3735 0.4926 9 5 1.7137 0.9657 9 6 1.6997 0.8155 9 7 1.5207 0.6196 9 8 1.3948 0.4971 9 9 1.3886 0.5115 9 10 2.2432 1.4169 9 11 1.1573 0.4319 9 12 1.2835 0.4855 9 13 1.5675 0.7151 9 14 1.3949 0.4881 9 15 4.0991 0.9907 9 16 2.7990 1.4938 9 17 1.3562 0.5514 9 18 1.3197 0.4976 9 19 1.3257 0.4906 9 20 1.2989 0.4815 9 21 1.4127 0.5487 9 22 1.3563 0.4827 9 23 1.3795 0.5298 9 24 1.3465 0.4808 9 25 1.3504 0.5476 9 26 1.3860 0.5223 9 27 1.4465 0.5350 9 28 2.7099 1.3833 9 29 1.3516 0.4970 9 30 1.6347 0.9370 9 31 1.7319 0.3959 9 32 1.3654 0.5499 10 1 1.7503 0.8911 10 2 1.2945 0.5018 10 3 1.1537 0.4244 10 4 1.2137 0.4220 10 5 1.6177 0.8525 10 6 1.5320 0.7437 10 7 1.3222 0.5477 10 8 1.2603 0.4226 10 9 1.2464 0.4351 10 10 2.1547 1.4886 10 11 1.0483 0.3737 10 12 1.1897 0.4309 10 13 1.4273 0.6198 10 14 1.2477 0.4298 10 15 4.1957 1.0056 10 16 2.7652 1.5598 10 17 1.1973 0.4844 10 18 1.1888 0.4289 10 19 1.2104 0.4292 10 20 1.1845 0.4206 10 21 1.2840 0.4818 10 22 1.2212 0.4207 10 23 1.2266 0.4619 10 24 1.2001 0.4181 10 25 1.2052 0.4724 10 26 1.2109 0.4503 10 27 1.2631 0.4583 10 28 2.6624 1.4333 10 29 1.1958 0.4348 10 30 1.4710 0.9571 10 31 1.4192 0.3236 10 32 1.2181 0.4768 11 1 1.9999 1.0164 11 2 1.5199 0.6327 11 3 1.4395 0.5299 11 4 1.5158 0.5565 11 5 1.8071 1.0463 11 6 1.8344 0.8804 11 7 1.7035 0.6886 11 8 1.5037 0.5600 11 9 1.5189 0.5789 11 10 2.2264 1.2162 11 11 1.3050 0.4720 11 12 1.3806 0.5350 11 13 1.7125 0.7853 11 14 1.5159 0.5355 11 15 3.7411 0.9080 11 16 2.6463 1.2883 11 17 1.5015 0.6156 11 18 1.4469 0.5580 11 19 1.4304 0.5531 11 20 1.4002 0.5403 11 21 1.5150 0.5967 11 22 1.4543 0.5355 11 23 1.5193 0.5846 11 24 1.4740 0.5485 11 25 1.4841 0.6145 11 26 1.5749 0.5663 11 27 1.6297 0.5908 11 28 2.6337 1.1566 11 29 1.4936 0.5525 11 30 1.7678 0.8409 11 31 1.9752 0.4535 11 32 1.5174 0.6113 12 1 1.8934 0.9741 12 2 1.4082 0.5744 12 3 1.2914 0.4803 12 4 1.3619 0.4913 12 5 1.7081 0.9703 12 6 1.6928 0.8240 12 7 1.5110 0.6221 12 8 1.3835 0.4950 12 9 1.3785 0.5101 12 10 2.2260 1.4065 12 11 1.1488 0.4287 12 12 1.2734 0.4826 12 13 1.5606 0.7136 12 14 1.3831 0.4862 12 15 4.0709 0.9856 12 16 2.7741 1.4844 12 17 1.3433 0.5515 12 18 1.3093 0.4968 12 19 1.3148 0.4893 12 20 1.2872 0.4797 12 21 1.4040 0.5491 12 22 1.3428 0.4812 12 23 1.3684 0.5294 12 24 1.3338 0.4797 12 25 1.3366 0.5463 12 26 1.3779 0.5207 12 27 1.4381 0.5342 12 28 2.6936 1.3670 12 29 1.3401 0.4960 12 30 1.6215 0.9311 12 31 1.7060 0.3953 12 32 1.3556 0.5495 13 1 1.7800 0.8113 13 2 1.3883 0.4854 13 3 1.2417 0.4386 13 4 1.2782 0.4235 13 5 1.6891 0.7572 13 6 1.5641 0.6594 13 7 1.3254 0.4993 13 8 1.3490 0.4323 13 9 1.3175 0.4377 13 10 2.3108 1.6232 13 11 1.1663 0.4021 13 12 1.3126 0.4594 13 13 1.4635 0.5707 13 14 1.3295 0.4477 13 15 4.5517 1.0514 13 16 3.0151 1.6758 13 17 1.2642 0.4743 13 18 1.2795 0.4331 13 19 1.3147 0.4490 13 20 1.2993 0.4421 13 21 1.3709 0.4748 13 22 1.3296 0.4345 13 23 1.2961 0.4548 13 24 1.2803 0.4356 13 25 1.2808 0.4670 13 26 1.2423 0.4305 13 27 1.2820 0.4315 13 28 2.8427 1.5806 13 29 1.2673 0.4407 13 30 1.5331 1.0351 13 31 1.3299 0.2579 13 32 1.2821 0.4635 14 1 1.9585 0.7879 14 2 1.6068 0.4979 14 3 1.4631 0.4652 14 4 1.4971 0.4507 14 5 1.8507 0.7423 14 6 1.7641 0.6415 14 7 1.5380 0.5159 14 8 1.5751 0.4606 14 9 1.5366 0.4637 14 10 2.5325 1.6329 14 11 1.3772 0.4304 14 12 1.5231 0.4788 14 13 1.6605 0.5806 14 14 1.5570 0.4740 14 15 4.7443 1.0563 14 16 3.2423 1.6847 14 17 1.4723 0.4973 14 18 1.4979 0.4603 14 19 1.5323 0.4721 14 20 1.5207 0.4658 14 21 1.5929 0.4929 14 22 1.5644 0.4602 14 23 1.5141 0.4783 14 24 1.4951 0.4609 14 25 1.4749 0.4865 14 26 1.4510 0.4586 14 27 1.4943 0.4593 14 28 3.0478 1.6090 14 29 1.4870 0.4680 14 30 1.7439 1.0544 14 31 1.4550 0.2607 14 32 1.4908 0.4874 15 1 1.8331 0.9397 15 2 1.3578 0.5457 15 3 1.2311 0.4584 15 4 1.2971 0.4653 15 5 1.6674 0.9214 15 6 1.6234 0.7909 15 7 1.4294 0.5925 15 8 1.3298 0.4678 15 9 1.3193 0.4819 15 10 2.2042 1.4584 15 11 1.0953 0.4096 15 12 1.2328 0.4619 15 13 1.5003 0.6773 15 14 1.3247 0.4651 15 15 4.1522 1.0021 15 16 2.7890 1.5336 15 17 1.2797 0.5250 15 18 1.2537 0.4710 15 19 1.2670 0.4651 15 20 1.2404 0.4565 15 21 1.3508 0.5238 15 22 1.2911 0.4588 15 23 1.3059 0.5034 15 24 1.2756 0.4547 15 25 1.2801 0.5162 15 26 1.3011 0.4960 15 27 1.3597 0.5069 15 28 2.6908 1.4177 15 29 1.2763 0.4729 15 30 1.5580 0.9528 15 31 1.5995 0.3678 15 32 1.2925 0.5217 16 1 1.7528 0.8798 16 2 1.3084 0.4993 16 3 1.1616 0.4290 16 4 1.2203 0.4215 16 5 1.6237 0.8408 16 6 1.5358 0.7323 16 7 1.3194 0.5447 16 8 1.2740 0.4231 16 9 1.2572 0.4340 16 10 2.1758 1.5064 16 11 1.0626 0.3778 16 12 1.2067 0.4358 16 13 1.4323 0.6146 16 14 1.2586 0.4337 16 15 4.2450 1.0126 16 16 2.7969 1.5761 16 17 1.2005 0.4852 16 18 1.2014 0.4301 16 19 1.2256 0.4322 16 20 1.2007 0.4238 16 21 1.2976 0.4800 16 22 1.2368 0.4230 16 23 1.2337 0.4627 16 24 1.2077 0.4205 16 25 1.2064 0.4726 16 26 1.2118 0.4489 16 27 1.2639 0.4549 16 28 2.6872 1.4504 16 29 1.2030 0.4368 16 30 1.4741 0.9691 16 31 1.3679 0.3099 16 32 1.2248 0.4757