# RMSD summary data for each initial structure versus each run # Structure Index Run Index Average RMSD RMSD Fluctuations 1 1 4.1088 1.7199 1 2 3.4737 1.2136 1 3 3.0940 0.9562 1 4 2.7259 0.5955 1 5 3.5797 1.6012 1 6 3.4919 1.2015 1 7 3.1685 0.7479 1 8 2.8806 0.8353 1 9 2.7628 0.7177 1 10 3.2338 0.7725 1 11 3.0881 0.5655 1 12 3.2805 0.7072 1 13 3.6913 0.8982 1 14 3.2286 0.9924 1 15 3.8414 0.8882 1 16 3.2118 0.6945 1 17 2.8452 0.7401 1 18 3.0093 1.0290 1 19 2.6828 0.5705 1 20 2.6867 0.6151 1 21 3.1913 0.8269 1 22 3.0653 1.1604 1 23 2.9226 0.6726 1 24 2.8881 0.6193 1 25 2.8958 0.7839 1 26 3.3090 0.8808 1 27 2.9628 0.6099 1 28 3.3400 0.6920 1 29 2.8352 0.6149 1 30 3.6570 0.8983 1 31 3.4949 0.6037 1 32 3.3556 0.8266 2 1 4.1223 1.7588 2 2 3.4853 1.2543 2 3 3.0658 0.9889 2 4 2.6525 0.5805 2 5 3.6070 1.6301 2 6 3.4849 1.2505 2 7 3.0970 0.7369 2 8 2.8447 0.8523 2 9 2.6972 0.7036 2 10 3.1899 0.7716 2 11 3.1007 0.6013 2 12 3.2353 0.6922 2 13 3.6795 0.9262 2 14 3.2116 1.0224 2 15 3.8787 0.9039 2 16 3.1729 0.6934 2 17 2.7741 0.7169 2 18 2.9548 1.0402 2 19 2.6355 0.5547 2 20 2.6356 0.5990 2 21 3.1727 0.8461 2 22 3.0428 1.1901 2 23 2.8810 0.6843 2 24 2.8297 0.6083 2 25 2.8488 0.7775 2 26 3.2420 0.8835 2 27 2.8895 0.6005 2 28 3.2906 0.6770 2 29 2.7710 0.6004 2 30 3.5943 0.9010 2 31 3.4019 0.5896 2 32 3.3033 0.8198 3 1 4.1985 1.6991 3 2 3.6639 1.2426 3 3 3.2747 0.9804 3 4 2.8030 0.5652 3 5 3.5558 1.6858 3 6 3.6095 1.1826 3 7 3.1996 0.7016 3 8 2.9991 0.8694 3 9 2.8327 0.7009 3 10 3.3063 0.7654 3 11 3.2765 0.6202 3 12 3.3311 0.7508 3 13 3.6529 0.9933 3 14 3.4036 1.0163 3 15 3.8768 0.8917 3 16 3.2599 0.6424 3 17 2.8734 0.7143 3 18 3.0981 1.0453 3 19 2.7900 0.5837 3 20 2.7997 0.6024 3 21 3.2872 0.8178 3 22 3.2433 1.1967 3 23 3.0084 0.7061 3 24 3.0001 0.6046 3 25 2.9261 0.7777 3 26 3.3314 0.8539 3 27 3.0208 0.5948 3 28 3.2022 0.7437 3 29 2.9237 0.5831 3 30 3.6804 0.8771 3 31 3.5365 0.6347 3 32 3.4044 0.8131 4 1 4.1018 1.4824 4 2 3.5041 1.0963 4 3 3.2882 0.8665 4 4 3.2010 0.6489 4 5 3.4336 1.4836 4 6 3.6189 0.9478 4 7 3.6008 0.7937 4 8 3.2270 0.7837 4 9 3.2291 0.7613 4 10 3.5937 0.8346 4 11 3.3126 0.5183 4 12 3.5169 0.7799 4 13 3.6548 0.8639 4 14 3.4518 0.9587 4 15 3.5913 0.7411 4 16 3.5099 0.7720 4 17 3.3423 0.7950 4 18 3.3891 0.9882 4 19 2.9976 0.6917 4 20 3.0540 0.6826 4 21 3.3079 0.7711 4 22 3.3339 1.0308 4 23 3.2842 0.7321 4 24 3.2776 0.6923 4 25 3.2239 0.8546 4 26 3.8487 0.8958 4 27 3.3925 0.6907 4 28 3.6715 0.8088 4 29 3.2647 0.6777 4 30 4.2112 0.9195 4 31 4.0127 0.7453 4 32 3.8129 0.9376 5 1 4.2182 1.5329 5 2 3.6913 1.1321 5 3 3.4101 0.8961 5 4 3.1474 0.5927 5 5 3.4822 1.5753 5 6 3.7098 0.9912 5 7 3.5140 0.7304 5 8 3.2336 0.8076 5 9 3.1654 0.7226 5 10 3.5190 0.7963 5 11 3.3608 0.5423 5 12 3.5402 0.7902 5 13 3.6950 0.9238 5 14 3.5506 0.9485 5 15 3.7045 0.8204 5 16 3.4046 0.6356 5 17 3.2140 0.7616 5 18 3.3729 0.9997 5 19 3.0232 0.6523 5 20 3.0720 0.6376 5 21 3.4018 0.7669 5 22 3.4147 1.0883 5 23 3.2494 0.7074 5 24 3.2737 0.6278 5 25 3.1446 0.7991 5 26 3.7006 0.8803 5 27 3.3350 0.6265 5 28 3.3876 0.7742 5 29 3.2274 0.6181 5 30 4.0475 0.8932 5 31 3.8401 0.6975 5 32 3.7229 0.8754 6 1 4.3171 1.5755 6 2 3.9211 1.1918 6 3 3.5696 0.9363 6 4 2.9661 0.5275 6 5 3.6497 1.6813 6 6 3.8053 1.1250 6 7 3.3286 0.6365 6 8 3.1873 0.8765 6 9 2.9856 0.6735 6 10 3.4779 0.7389 6 11 3.4534 0.6146 6 12 3.5184 0.7562 6 13 3.6007 1.0576 6 14 3.6465 0.9742 6 15 3.9799 0.9049 6 16 3.3970 0.5379 6 17 2.9793 0.6696 6 18 3.2810 1.0152 6 19 3.0277 0.5690 6 20 3.0148 0.5895 6 21 3.5036 0.7902 6 22 3.4799 1.1754 6 23 3.1989 0.6859 6 24 3.2003 0.5651 6 25 3.0685 0.7307 6 26 3.4301 0.8328 6 27 3.1802 0.5492 6 28 3.1410 0.7038 6 29 3.1029 0.5475 6 30 3.7807 0.8374 6 31 3.5279 0.5843 6 32 3.5394 0.7773 7 1 4.1727 1.6386 7 2 3.5775 1.1662 7 3 3.2550 0.9236 7 4 2.9421 0.6030 7 5 3.5411 1.5861 7 6 3.6009 1.0998 7 7 3.3557 0.7472 7 8 3.0559 0.8148 7 9 2.9714 0.7273 7 10 3.3681 0.7791 7 11 3.2009 0.5398 7 12 3.4309 0.7525 7 13 3.7152 0.9132 7 14 3.3819 0.9567 7 15 3.7737 0.8727 7 16 3.2931 0.6560 7 17 3.0385 0.7584 7 18 3.1961 1.0160 7 19 2.8590 0.6136 7 20 2.8828 0.6356 7 21 3.3121 0.7926 7 22 3.2348 1.1241 7 23 3.0770 0.6819 7 24 3.0895 0.6312 7 25 3.0221 0.7882 7 26 3.5000 0.8713 7 27 3.1639 0.6238 7 28 3.3629 0.7277 7 29 3.0403 0.6244 7 30 3.8342 0.8894 7 31 3.6602 0.6533 7 32 3.5312 0.8421 8 1 4.2083 1.5740 8 2 3.6540 1.1574 8 3 3.3434 0.9133 8 4 3.0599 0.5827 8 5 3.4987 1.5955 8 6 3.6769 1.0391 8 7 3.4318 0.7239 8 8 3.1697 0.8118 8 9 3.0861 0.7108 8 10 3.4581 0.7875 8 11 3.3275 0.5545 8 12 3.4610 0.7619 8 13 3.6697 0.9385 8 14 3.4931 0.9646 8 15 3.7004 0.8310 8 16 3.3619 0.6415 8 17 3.1376 0.7443 8 18 3.2977 1.0015 8 19 2.9525 0.6281 8 20 2.9925 0.6243 8 21 3.3570 0.7664 8 22 3.3516 1.1042 8 23 3.1860 0.7040 8 24 3.1939 0.6198 8 25 3.0896 0.7883 8 26 3.6184 0.8754 8 27 3.2525 0.6172 8 28 3.3583 0.7595 8 29 3.1445 0.6086 8 30 3.9675 0.8899 8 31 3.7567 0.6879 8 32 3.6448 0.8632 9 1 4.1872 1.5372 9 2 3.6687 1.1471 9 3 3.3843 0.9006 9 4 3.0918 0.5863 9 5 3.4680 1.5922 9 6 3.6831 1.0085 9 7 3.4640 0.7246 9 8 3.1961 0.8146 9 9 3.1112 0.7195 9 10 3.5225 0.7845 9 11 3.3706 0.5528 9 12 3.4760 0.7803 9 13 3.6472 0.9380 9 14 3.5223 0.9616 9 15 3.6974 0.7999 9 16 3.4390 0.6644 9 17 3.1705 0.7535 9 18 3.3274 0.9952 9 19 2.9831 0.6377 9 20 3.0197 0.6304 9 21 3.3611 0.7685 9 22 3.3832 1.0932 9 23 3.2272 0.7103 9 24 3.2324 0.6236 9 25 3.1263 0.8033 9 26 3.6566 0.8725 9 27 3.2865 0.6227 9 28 3.4165 0.7989 9 29 3.1811 0.6080 9 30 4.0187 0.8898 9 31 3.8337 0.7037 9 32 3.6794 0.8726 10 1 4.1657 1.7033 10 2 3.5840 1.2251 10 3 3.2090 0.9700 10 4 2.7964 0.5874 10 5 3.5725 1.6269 10 6 3.5614 1.1761 10 7 3.2259 0.7352 10 8 2.9670 0.8433 10 9 2.8323 0.7148 10 10 3.2836 0.7714 10 11 3.1924 0.5800 10 12 3.3669 0.7445 10 13 3.6934 0.9423 10 14 3.3349 0.9958 10 15 3.8634 0.8960 10 16 3.2270 0.6607 10 17 2.8941 0.7346 10 18 3.0839 1.0395 10 19 2.7641 0.5870 10 20 2.7753 0.6155 10 21 3.2702 0.8225 10 22 3.1784 1.1754 10 23 2.9833 0.6864 10 24 2.9775 0.6188 10 25 2.9302 0.7799 10 26 3.3558 0.8668 10 27 3.0285 0.6113 10 28 3.2770 0.7123 10 29 2.9151 0.6047 10 30 3.6932 0.8904 10 31 3.5247 0.6257 10 32 3.4128 0.8216 11 1 4.2251 1.5479 11 2 3.7908 1.1193 11 3 3.5025 0.8791 11 4 2.9917 0.5546 11 5 3.5894 1.6024 11 6 3.7184 1.0596 11 7 3.3870 0.6775 11 8 3.1457 0.8268 11 9 3.0043 0.6982 11 10 3.4728 0.7331 11 11 3.3163 0.5310 11 12 3.5547 0.7658 11 13 3.6510 0.9610 11 14 3.5558 0.9178 11 15 3.9003 0.8747 11 16 3.3873 0.5489 11 17 3.0255 0.7132 11 18 3.2807 0.9917 11 19 3.0121 0.5738 11 20 2.9978 0.6069 11 21 3.4603 0.7716 11 22 3.3978 1.1182 11 23 3.1810 0.6408 11 24 3.1970 0.5741 11 25 3.0849 0.7323 11 26 3.4765 0.8377 11 27 3.2237 0.5625 11 28 3.2527 0.6999 11 29 3.1176 0.5680 11 30 3.8149 0.8450 11 31 3.5997 0.5866 11 32 3.5542 0.7835 12 1 4.2015 1.4924 12 2 3.6783 1.1085 12 3 3.4432 0.8691 12 4 3.2006 0.6006 12 5 3.4758 1.5659 12 6 3.7222 0.9650 12 7 3.5713 0.7330 12 8 3.2654 0.8000 12 9 3.2154 0.7354 12 10 3.6081 0.7899 12 11 3.3788 0.5215 12 12 3.5491 0.7882 12 13 3.6641 0.9301 12 14 3.5637 0.9396 12 15 3.6893 0.7972 12 16 3.4974 0.6562 12 17 3.2824 0.7665 12 18 3.4202 0.9853 12 19 3.0706 0.6519 12 20 3.1034 0.6472 12 21 3.4089 0.7620 12 22 3.4326 1.0606 12 23 3.3128 0.7020 12 24 3.3229 0.6329 12 25 3.2133 0.8038 12 26 3.7731 0.8762 12 27 3.3959 0.6305 12 28 3.4968 0.7888 12 29 3.2819 0.6190 12 30 4.1326 0.8874 12 31 3.9223 0.7117 12 32 3.7777 0.8863 13 1 4.2506 1.5382 13 2 3.7586 1.1578 13 3 3.4707 0.9111 13 4 3.1488 0.5868 13 5 3.5030 1.6061 13 6 3.7490 1.0072 13 7 3.5119 0.7199 13 8 3.2611 0.8246 13 9 3.1688 0.7238 13 10 3.5422 0.7874 13 11 3.4289 0.5643 13 12 3.5519 0.8037 13 13 3.6788 0.9599 13 14 3.6042 0.9616 13 15 3.7530 0.8333 13 16 3.4293 0.6290 13 17 3.2068 0.7597 13 18 3.3876 1.0090 13 19 3.0500 0.6506 13 20 3.0908 0.6372 13 21 3.4359 0.7794 13 22 3.4662 1.1101 13 23 3.2690 0.7166 13 24 3.2985 0.6227 13 25 3.1535 0.8014 13 26 3.6842 0.8671 13 27 3.3414 0.6241 13 28 3.3536 0.7929 13 29 3.2408 0.6096 13 30 4.0288 0.8840 13 31 3.8365 0.7030 13 32 3.7176 0.8627 14 1 4.2861 1.5678 14 2 3.8757 1.2026 14 3 3.5392 0.9421 14 4 3.0377 0.5497 14 5 3.5415 1.6763 14 6 3.7806 1.0733 14 7 3.3890 0.6692 14 8 3.2283 0.8696 14 9 3.0579 0.6986 14 10 3.4958 0.7625 14 11 3.4938 0.6268 14 12 3.5188 0.8082 14 13 3.6333 1.0315 14 14 3.6532 0.9926 14 15 3.8789 0.8628 14 16 3.3946 0.5874 14 17 3.0595 0.7156 14 18 3.3213 1.0255 14 19 3.0288 0.6157 14 20 3.0454 0.6093 14 21 3.4641 0.7918 14 22 3.5018 1.1655 14 23 3.2234 0.7203 14 24 3.2430 0.5915 14 25 3.0804 0.7776 14 26 3.5265 0.8451 14 27 3.2352 0.5899 14 28 3.1735 0.7846 14 29 3.1560 0.5706 14 30 3.8738 0.8616 14 31 3.6780 0.6638 14 32 3.6063 0.8203 15 1 4.2291 1.4518 15 2 3.7331 1.1321 15 3 3.4782 0.8855 15 4 3.2716 0.5909 15 5 3.4735 1.5451 15 6 3.7758 0.9405 15 7 3.6210 0.7328 15 8 3.3534 0.7985 15 9 3.2945 0.7204 15 10 3.6589 0.8077 15 11 3.5029 0.5557 15 12 3.5622 0.7847 15 13 3.6492 0.9327 15 14 3.6428 0.9638 15 15 3.6372 0.7630 15 16 3.5450 0.6714 15 17 3.3548 0.7571 15 18 3.4807 0.9819 15 19 3.1199 0.6703 15 20 3.1754 0.6428 15 21 3.4378 0.7683 15 22 3.5135 1.0585 15 23 3.3805 0.7404 15 24 3.3860 0.6345 15 25 3.2559 0.8198 15 26 3.8578 0.8819 15 27 3.4468 0.6440 15 28 3.5264 0.8143 15 29 3.3467 0.6197 15 30 4.2233 0.8969 15 31 3.9752 0.7408 15 32 3.8625 0.9023 16 1 4.1682 1.6554 16 2 3.5743 1.1770 16 3 3.2350 0.9315 16 4 2.8963 0.5945 16 5 3.5534 1.5910 16 6 3.5874 1.1218 16 7 3.3131 0.7405 16 8 3.0265 0.8168 16 9 2.9286 0.7187 16 10 3.3330 0.7727 16 11 3.1884 0.5470 16 12 3.4067 0.7424 16 13 3.7101 0.9170 16 14 3.3632 0.9615 16 15 3.7930 0.8831 16 16 3.2638 0.6497 16 17 2.9910 0.7477 16 18 3.1594 1.0177 16 19 2.8292 0.6000 16 20 2.8491 0.6264 16 21 3.3000 0.7976 16 22 3.2132 1.1339 16 23 3.0438 0.6771 16 24 3.0520 0.6224 16 25 2.9905 0.7795 16 26 3.4497 0.8678 16 27 3.1214 0.6157 16 28 3.3296 0.7158 16 29 2.9988 0.6163 16 30 3.7817 0.8865 16 31 3.6017 0.6392 16 32 3.4894 0.8302