# RMSD summary data for each initial structure versus each run # Structure Index Run Index Average RMSD RMSD Fluctuations 1 1 2.0928 1.0424 1 2 1.6496 0.7738 1 3 1.4637 0.6891 1 4 1.5150 0.8694 1 5 2.1230 1.0667 1 6 2.0189 1.0656 1 7 1.8370 1.2338 1 8 1.8303 1.0252 1 9 1.3807 0.7775 1 10 1.2048 0.5611 1 11 1.4603 0.5789 1 12 3.2831 1.3331 1 13 1.3639 0.6411 1 14 2.3027 1.0131 1 15 2.4594 0.9334 1 16 1.7943 1.0001 1 17 1.1562 0.4977 1 18 1.2799 0.6247 1 19 1.2675 0.5909 1 20 1.9144 1.0302 1 21 2.5059 1.1068 1 22 2.3468 1.0186 1 23 1.6583 0.9865 1 24 1.4658 0.7843 1 25 1.6969 0.9904 1 26 1.1558 0.4096 1 27 1.2085 0.5171 1 28 1.0751 0.3930 1 29 1.2549 0.6181 1 30 1.1321 0.4075 1 31 1.3134 0.7009 1 32 1.4436 0.7888 2 1 2.7943 1.2565 2 2 2.4271 0.9164 2 3 2.2135 0.8523 2 4 2.0707 1.0715 2 5 2.8177 1.2671 2 6 2.7215 1.2934 2 7 2.2856 1.1912 2 8 2.4586 1.2572 2 9 1.8884 0.9689 2 10 1.6766 0.7990 2 11 1.9524 0.7344 2 12 3.4106 1.0705 2 13 2.0412 0.8284 2 14 3.0841 1.2147 2 15 3.2553 1.0744 2 16 2.4454 1.2473 2 17 1.6145 0.6338 2 18 1.7891 0.8565 2 19 1.8163 0.8275 2 20 2.5778 1.2648 2 21 3.1176 1.1466 2 22 3.1215 1.2283 2 23 2.2297 1.2096 2 24 2.0322 1.0231 2 25 2.2906 1.2052 2 26 1.4628 0.5155 2 27 1.7166 0.7070 2 28 1.5240 0.5171 2 29 1.7578 0.8530 2 30 1.4934 0.5192 2 31 1.8128 0.8711 2 32 1.8999 1.0185 3 1 2.5217 1.2680 3 2 2.2951 0.8985 3 3 2.1188 0.8243 3 4 1.7843 1.0582 3 5 2.4901 1.2915 3 6 2.4620 1.2942 3 7 2.0978 1.3211 3 8 2.1789 1.2571 3 9 1.6049 0.9380 3 10 1.5108 0.7852 3 11 1.9939 0.8072 3 12 3.4485 1.2234 3 13 1.8988 0.8360 3 14 2.8394 1.2192 3 15 3.0020 1.0694 3 16 2.2242 1.2406 3 17 1.3169 0.5810 3 18 1.5958 0.8438 3 19 1.6664 0.8200 3 20 2.3188 1.2706 3 21 2.9643 1.2046 3 22 2.8674 1.2442 3 23 1.9383 1.1876 3 24 1.8455 1.0115 3 25 1.9932 1.1902 3 26 1.2253 0.4427 3 27 1.5162 0.6989 3 28 1.2643 0.4483 3 29 1.5710 0.8457 3 30 1.2236 0.4403 3 31 1.5400 0.8305 3 32 1.6452 1.0163 4 1 2.5766 1.2072 4 2 2.3785 0.8645 4 3 2.2344 0.7939 4 4 1.8984 1.0133 4 5 2.5296 1.2264 4 6 2.5315 1.2262 4 7 2.2826 1.3922 4 8 2.2629 1.1951 4 9 1.7240 0.9045 4 10 1.6564 0.7866 4 11 2.3023 0.8721 4 12 3.7873 1.3112 4 13 2.0166 0.8205 4 14 2.8866 1.1612 4 15 3.0398 1.0262 4 16 2.3441 1.1686 4 17 1.4569 0.5897 4 18 1.7180 0.8363 4 19 1.7959 0.8084 4 20 2.4029 1.2097 4 21 3.1049 1.2201 4 22 2.9070 1.1937 4 23 2.0302 1.1253 4 24 1.9589 0.9712 4 25 2.0939 1.1205 4 26 1.3779 0.4860 4 27 1.6594 0.7035 4 28 1.4719 0.4907 4 29 1.7016 0.8335 4 30 1.3893 0.4668 4 31 1.6741 0.8080 4 32 1.7794 0.9749 5 1 2.1360 1.0457 5 2 1.6993 0.7831 5 3 1.5069 0.7033 5 4 1.5457 0.8740 5 5 2.1751 1.0625 5 6 2.0524 1.0730 5 7 1.8350 1.1899 5 8 1.8678 1.0283 5 9 1.4136 0.7826 5 10 1.2431 0.5677 5 11 1.4214 0.5697 5 12 3.2040 1.2837 5 13 1.4083 0.6496 5 14 2.3394 1.0180 5 15 2.4951 0.9387 5 16 1.8089 1.0145 5 17 1.1895 0.5030 5 18 1.3211 0.6294 5 19 1.3086 0.6006 5 20 1.9492 1.0342 5 21 2.5086 1.0773 5 22 2.3873 1.0170 5 23 1.6977 0.9900 5 24 1.5072 0.7904 5 25 1.7316 0.9979 5 26 1.1943 0.4166 5 27 1.2406 0.5244 5 28 1.0768 0.3961 5 29 1.2961 0.6250 5 30 1.1672 0.4193 5 31 1.3344 0.7083 5 32 1.4848 0.7915 6 1 2.1001 1.0398 6 2 1.6452 0.7683 6 3 1.4659 0.6820 6 4 1.5374 0.8713 6 5 2.1256 1.0678 6 6 2.0355 1.0594 6 7 1.8885 1.2768 6 8 1.8447 1.0245 6 9 1.3991 0.7817 6 10 1.2096 0.5713 6 11 1.5511 0.6041 6 12 3.4033 1.3717 6 13 1.3657 0.6416 6 14 2.3154 1.0097 6 15 2.4739 0.9305 6 16 1.8296 0.9895 6 17 1.1771 0.5087 6 18 1.2814 0.6345 6 19 1.2681 0.5951 6 20 1.9309 1.0284 6 21 2.5517 1.1355 6 22 2.3553 1.0215 6 23 1.6699 0.9877 6 24 1.4680 0.7871 6 25 1.7172 0.9855 6 26 1.1626 0.4232 6 27 1.2234 0.5251 6 28 1.1326 0.4158 6 29 1.2576 0.6238 6 30 1.1511 0.4142 6 31 1.3433 0.7050 6 32 1.4547 0.7899 7 1 1.9448 0.8588 7 2 1.5917 0.6710 7 3 1.4962 0.6028 7 4 1.5575 0.7164 7 5 1.8958 0.8925 7 6 1.9452 0.8440 7 7 2.0597 1.4092 7 8 1.7793 0.8291 7 9 1.4628 0.6522 7 10 1.3989 0.5425 7 11 1.8185 0.6566 7 12 3.7634 1.5826 7 13 1.4179 0.5932 7 14 2.1484 0.8257 7 15 2.2310 0.7950 7 16 1.8640 0.7884 7 17 1.2885 0.4945 7 18 1.4186 0.5661 7 19 1.4165 0.5300 7 20 1.8588 0.8412 7 21 2.5417 1.2204 7 22 2.1662 0.8666 7 23 1.6521 0.7667 7 24 1.5467 0.6554 7 25 1.6684 0.7894 7 26 1.3785 0.4834 7 27 1.3757 0.4972 7 28 1.3508 0.4805 7 29 1.4096 0.5683 7 30 1.3204 0.4709 7 31 1.4548 0.5886 7 32 1.5374 0.6925 8 1 2.8063 1.2022 8 2 2.3772 0.8996 8 3 2.1519 0.8316 8 4 2.1227 1.0243 8 5 2.8469 1.2123 8 6 2.7354 1.2360 8 7 2.2879 1.0888 8 8 2.4913 1.2007 8 9 1.9556 0.9267 8 10 1.7076 0.7431 8 11 1.8063 0.6890 8 12 3.2593 1.0010 8 13 2.0161 0.7878 8 14 3.0704 1.1669 8 15 3.2305 1.0451 8 16 2.4530 1.1972 8 17 1.6956 0.6141 8 18 1.8282 0.8020 8 19 1.8300 0.7739 8 20 2.5936 1.2086 8 21 3.0551 1.0935 8 22 3.1116 1.1733 8 23 2.2861 1.1556 8 24 2.0536 0.9703 8 25 2.3332 1.1593 8 26 1.5428 0.5028 8 27 1.7546 0.6618 8 28 1.5773 0.5097 8 29 1.7946 0.7995 8 30 1.5669 0.5143 8 31 1.8800 0.8377 8 32 1.9476 0.9738 9 1 1.9470 0.9137 9 2 1.5838 0.6993 9 3 1.4709 0.6224 9 4 1.5098 0.7560 9 5 1.9040 0.9533 9 6 1.9383 0.9028 9 7 1.9879 1.3929 9 8 1.7566 0.8845 9 9 1.4041 0.6808 9 10 1.3250 0.5442 9 11 1.7346 0.6474 9 12 3.6656 1.5489 9 13 1.3795 0.6075 9 14 2.1648 0.8765 9 15 2.2621 0.8331 9 16 1.8319 0.8398 9 17 1.2108 0.4892 9 18 1.3558 0.5786 9 19 1.3568 0.5409 9 20 1.8417 0.8965 9 21 2.5239 1.2068 9 22 2.1853 0.9150 9 23 1.6159 0.8227 9 24 1.5002 0.6863 9 25 1.6361 0.8418 9 26 1.2828 0.4618 9 27 1.3064 0.4968 9 28 1.2541 0.4578 9 29 1.3428 0.5798 9 30 1.2279 0.4481 9 31 1.3891 0.6095 9 32 1.4717 0.7225 10 1 2.5533 1.2702 10 2 2.3693 0.8990 10 3 2.2111 0.8270 10 4 1.8238 1.0625 10 5 2.5051 1.2910 10 6 2.4996 1.2930 10 7 2.1841 1.3926 10 8 2.2137 1.2587 10 9 1.6407 0.9445 10 10 1.5743 0.8198 10 11 2.2055 0.8913 10 12 3.6440 1.2878 10 13 1.9750 0.8578 10 14 2.8789 1.2207 10 15 3.0406 1.0711 10 16 2.2867 1.2376 10 17 1.3552 0.5992 10 18 1.6459 0.8730 10 19 1.7325 0.8481 10 20 2.3614 1.2742 10 21 3.0578 1.2390 10 22 2.9013 1.2514 10 23 1.9672 1.1849 10 24 1.9018 1.0243 10 25 2.0302 1.1828 10 26 1.2676 0.4765 10 27 1.5769 0.7310 10 28 1.3429 0.4819 10 29 1.6264 0.8734 10 30 1.2741 0.4636 10 31 1.5831 0.8383 10 32 1.6942 1.0255 11 1 2.7993 1.2311 11 2 2.4013 0.9090 11 3 2.1878 0.8422 11 4 2.1035 1.0511 11 5 2.8258 1.2460 11 6 2.7339 1.2644 11 7 2.3226 1.1759 11 8 2.4771 1.2324 11 9 1.9256 0.9526 11 10 1.6914 0.7828 11 11 1.9542 0.7116 11 12 3.4463 1.0686 11 13 2.0310 0.8138 11 14 3.0815 1.1916 11 15 3.2493 1.0581 11 16 2.4683 1.2159 11 17 1.6588 0.6310 11 18 1.8059 0.8401 11 19 1.8221 0.8094 11 20 2.5904 1.2395 11 21 3.1228 1.1321 11 22 3.1179 1.2067 11 23 2.2573 1.1874 11 24 2.0413 1.0020 11 25 2.3173 1.1810 11 26 1.4960 0.5215 11 27 1.7412 0.6926 11 28 1.5797 0.5177 11 29 1.7731 0.8364 11 30 1.5295 0.5247 11 31 1.8585 0.8570 11 32 1.9194 1.0038 12 1 2.8418 1.2511 12 2 2.4560 0.9195 12 3 2.2330 0.8558 12 4 2.1171 1.0664 12 5 2.8758 1.2572 12 6 2.7643 1.2892 12 7 2.2888 1.1348 12 8 2.5064 1.2504 12 9 1.9392 0.9640 12 10 1.7180 0.7856 12 11 1.8832 0.7290 12 12 3.2974 1.0184 12 13 2.0709 0.8216 12 14 3.1233 1.2111 12 15 3.2909 1.0759 12 16 2.4719 1.2503 12 17 1.6669 0.6313 12 18 1.8357 0.8438 12 19 1.8551 0.8163 12 20 2.6199 1.2586 12 21 3.1098 1.1290 12 22 3.1643 1.2191 12 23 2.2842 1.2025 12 24 2.0749 1.0159 12 25 2.3379 1.2049 12 26 1.5176 0.5117 12 27 1.7559 0.6971 12 28 1.5479 0.5204 12 29 1.8035 0.8413 12 30 1.5441 0.5212 12 31 1.8559 0.8695 12 32 1.9498 1.0110 13 1 2.4927 1.2584 13 2 2.2828 0.8926 13 3 2.1152 0.8163 13 4 1.7676 1.0468 13 5 2.4502 1.2854 13 6 2.4403 1.2797 13 7 2.1032 1.3422 13 8 2.1560 1.2453 13 9 1.5911 0.9260 13 10 1.5115 0.7801 13 11 2.0370 0.8248 13 12 3.4929 1.2535 13 13 1.8922 0.8341 13 14 2.8128 1.2090 13 15 2.9704 1.0621 13 16 2.2167 1.2249 13 17 1.3044 0.5756 13 18 1.5909 0.8378 13 19 1.6660 0.8137 13 20 2.2972 1.2604 13 21 2.9598 1.2131 13 22 2.8378 1.2375 13 23 1.9181 1.1713 13 24 1.8386 1.0008 13 25 1.9709 1.1752 13 26 1.2190 0.4407 13 27 1.5147 0.6950 13 28 1.2677 0.4472 13 29 1.5673 0.8408 13 30 1.2135 0.4361 13 31 1.5330 0.8180 13 32 1.6295 1.0110 14 1 2.6460 1.3085 14 2 2.4059 0.9254 14 3 2.2124 0.8574 14 4 1.8716 1.0997 14 5 2.6305 1.3240 14 6 2.5729 1.3438 14 7 2.1328 1.2824 14 8 2.2846 1.3026 14 9 1.6837 0.9794 14 10 1.5681 0.8235 14 11 1.9859 0.8167 14 12 3.3703 1.1530 14 13 1.9884 0.8641 14 14 2.9661 1.2605 14 15 3.1379 1.0997 14 16 2.3030 1.2975 14 17 1.3882 0.6090 14 18 1.6657 0.8812 14 19 1.7346 0.8595 14 20 2.4258 1.3145 14 21 3.0320 1.2032 14 22 2.9992 1.2787 14 23 2.0350 1.2376 14 24 1.9246 1.0574 14 25 2.0923 1.2401 14 26 1.2744 0.4654 14 27 1.5780 0.7315 14 28 1.3002 0.4724 14 29 1.6384 0.8831 14 30 1.2812 0.4692 14 31 1.6048 0.8712 14 32 1.7233 1.0533 15 1 2.5194 1.2301 15 2 2.3356 0.8798 15 3 2.1859 0.8045 15 4 1.8303 1.0237 15 5 2.4589 1.2612 15 6 2.4828 1.2421 15 7 2.2052 1.3758 15 8 2.1996 1.2159 15 9 1.6588 0.9066 15 10 1.5937 0.7858 15 11 2.2174 0.8765 15 12 3.6541 1.2982 15 13 1.9610 0.8362 15 14 2.8397 1.1819 15 15 2.9877 1.0421 15 16 2.2908 1.1883 15 17 1.3797 0.5844 15 18 1.6638 0.8375 15 19 1.7449 0.8128 15 20 2.3418 1.2339 15 21 3.0306 1.2246 15 22 2.8583 1.2168 15 23 1.9691 1.1361 15 24 1.9069 0.9825 15 25 2.0205 1.1405 15 26 1.2885 0.4670 15 27 1.6009 0.7000 15 28 1.3801 0.4744 15 29 1.6426 0.8420 15 30 1.2859 0.4571 15 31 1.6164 0.8009 15 32 1.6852 1.0033 16 1 1.9757 0.8677 16 2 1.6207 0.6796 16 3 1.5237 0.6108 16 4 1.5832 0.7245 16 5 1.9273 0.9019 16 6 1.9767 0.8530 16 7 2.0839 1.4101 16 8 1.8074 0.8390 16 9 1.4858 0.6589 16 10 1.4155 0.5484 16 11 1.8475 0.6641 16 12 3.7856 1.5767 16 13 1.4431 0.6011 16 14 2.1830 0.8341 16 15 2.2680 0.8009 16 16 1.8939 0.7974 16 17 1.3089 0.4986 16 18 1.4374 0.5732 16 19 1.4356 0.5377 16 20 1.8884 0.8510 16 21 2.5736 1.2206 16 22 2.2005 0.8753 16 23 1.6774 0.7766 16 24 1.5683 0.6638 16 25 1.6958 0.7984 16 26 1.3888 0.4824 16 27 1.3959 0.5027 16 28 1.3731 0.4832 16 29 1.4280 0.5742 16 30 1.3352 0.4693 16 31 1.4781 0.5950 16 32 1.5559 0.6985