# RMSD summary data for each initial structure versus each run # Structure Index Run Index Average RMSD RMSD Fluctuations 1 1 1.1292 0.5113 1 2 1.0068 0.4145 1 3 1.0948 0.4404 1 4 0.9737 0.3750 1 5 1.2328 0.4562 1 6 1.0812 0.4223 1 7 1.2150 0.6699 1 8 0.9843 0.3819 1 9 1.0300 0.4075 1 10 1.0079 0.3960 1 11 1.0645 0.4586 1 12 1.0718 0.4128 1 13 4.1672 1.6977 1 14 1.0810 0.4785 1 15 1.5195 1.1847 1 16 1.1282 0.4824 1 17 1.1415 0.5326 1 18 1.0185 0.3950 1 19 1.0180 0.4055 1 20 1.0291 0.4078 1 21 1.0106 0.3912 1 22 0.9849 0.3886 1 23 1.0049 0.3981 1 24 1.0034 0.4176 1 25 1.1737 0.4492 1 26 1.0283 0.4167 1 27 0.9928 0.4043 1 28 1.1062 0.4456 1 29 1.0167 0.3957 1 30 1.0955 0.4349 1 31 0.9846 0.4089 1 32 1.0739 0.4407 2 1 1.0937 0.5065 2 2 0.9750 0.4084 2 3 1.0607 0.4352 2 4 0.9381 0.3689 2 5 1.2091 0.4538 2 6 1.0453 0.4159 2 7 1.1804 0.6634 2 8 0.9525 0.3768 2 9 0.9959 0.4022 2 10 0.9751 0.3890 2 11 1.0350 0.4528 2 12 1.0441 0.4094 2 13 4.1650 1.7170 2 14 1.0498 0.4795 2 15 1.4848 1.1784 2 16 1.0951 0.4768 2 17 1.1083 0.5281 2 18 0.9864 0.3880 2 19 0.9859 0.4007 2 20 0.9946 0.4022 2 21 0.9845 0.3833 2 22 0.9524 0.3817 2 23 0.9739 0.3946 2 24 0.9710 0.4117 2 25 1.1435 0.4447 2 26 0.9971 0.4115 2 27 0.9599 0.3990 2 28 1.0792 0.4442 2 29 0.9849 0.3904 2 30 1.0602 0.4277 2 31 0.9414 0.4120 2 32 1.0397 0.4353 3 1 1.3937 0.5657 3 2 1.2728 0.4609 3 3 1.3965 0.5198 3 4 1.3270 0.4343 3 5 1.1127 0.4870 3 6 1.4024 0.4767 3 7 1.4451 0.6074 3 8 1.2653 0.4419 3 9 1.3553 0.4675 3 10 1.3183 0.4459 3 11 1.3449 0.5388 3 12 1.2636 0.4727 3 13 3.6949 1.5238 3 14 1.3656 0.5292 3 15 1.4907 0.9945 3 16 1.4167 0.5867 3 17 1.4521 0.6232 3 18 1.3318 0.4627 3 19 1.3060 0.4551 3 20 1.3542 0.4645 3 21 1.2905 0.4651 3 22 1.3034 0.4508 3 23 1.2748 0.4529 3 24 1.3331 0.4822 3 25 1.3658 0.5353 3 26 1.2896 0.4669 3 27 1.2983 0.4410 3 28 1.1836 0.5005 3 29 1.3367 0.4639 3 30 1.3719 0.4953 3 31 1.0998 0.3456 3 32 1.3464 0.4896 4 1 1.8622 0.6436 4 2 1.7211 0.5175 4 3 1.8600 0.5735 4 4 1.7836 0.4827 4 5 1.4982 0.5928 4 6 1.8680 0.5286 4 7 1.9487 0.7378 4 8 1.7210 0.5059 4 9 1.8157 0.5211 4 10 1.7815 0.5045 4 11 1.7860 0.6010 4 12 1.6941 0.5466 4 13 3.5976 1.2556 4 14 1.8020 0.5630 4 15 1.8464 0.9471 4 16 1.8709 0.6505 4 17 1.9163 0.6754 4 18 1.7915 0.5067 4 19 1.7656 0.5125 4 20 1.8023 0.5048 4 21 1.7414 0.5265 4 22 1.7609 0.5001 4 23 1.7330 0.5158 4 24 1.7945 0.5357 4 25 1.8223 0.6197 4 26 1.7527 0.5299 4 27 1.7620 0.4993 4 28 1.5966 0.5878 4 29 1.7891 0.5200 4 30 1.8468 0.5497 4 31 1.5263 0.4116 4 32 1.8060 0.5507 5 1 1.5955 0.4959 5 2 1.5455 0.4585 5 3 1.5452 0.4512 5 4 1.4600 0.4243 5 5 1.9245 0.5189 5 6 1.5314 0.4343 5 7 1.6502 0.5749 5 8 1.5115 0.4471 5 9 1.5023 0.4396 5 10 1.5064 0.4410 5 11 1.5507 0.4719 5 12 1.6167 0.4919 5 13 4.8319 1.6996 5 14 1.5740 0.4647 5 15 2.1956 1.2298 5 16 1.5762 0.4573 5 17 1.5622 0.4835 5 18 1.5017 0.4390 5 19 1.5221 0.4583 5 20 1.5110 0.4453 5 21 1.5177 0.4484 5 22 1.4926 0.4274 5 23 1.5255 0.4650 5 24 1.4875 0.4357 5 25 1.6474 0.5116 5 26 1.5424 0.4725 5 27 1.5001 0.4609 5 28 1.7251 0.5112 5 29 1.4980 0.4370 5 30 1.5688 0.4599 5 31 1.6959 0.4719 5 32 1.5624 0.4805 6 1 1.3364 0.4400 6 2 1.3066 0.3761 6 3 1.3540 0.4126 6 4 1.3097 0.3613 6 5 1.3121 0.3881 6 6 1.3343 0.3726 6 7 1.4349 0.5054 6 8 1.3039 0.3630 6 9 1.3323 0.3808 6 10 1.3158 0.3590 6 11 1.3806 0.4097 6 12 1.3487 0.3777 6 13 3.9298 1.7605 6 14 1.3887 0.4735 6 15 1.4891 0.8068 6 16 1.3836 0.4464 6 17 1.4073 0.4868 6 18 1.3352 0.3634 6 19 1.3205 0.3742 6 20 1.3369 0.3725 6 21 1.3648 0.3642 6 22 1.3177 0.3659 6 23 1.3185 0.3728 6 24 1.3380 0.3854 6 25 1.3643 0.4287 6 26 1.3189 0.3654 6 27 1.3069 0.3689 6 28 1.3220 0.4069 6 29 1.3478 0.3744 6 30 1.3099 0.3951 6 31 1.1300 0.3502 6 32 1.3209 0.3964 7 1 1.3509 0.5170 7 2 1.2444 0.4449 7 3 1.3020 0.4487 7 4 1.1811 0.4074 7 5 1.5627 0.4915 7 6 1.2872 0.4386 7 7 1.4292 0.6690 7 8 1.2162 0.4215 7 9 1.2402 0.4277 7 10 1.2290 0.4313 7 11 1.2772 0.4700 7 12 1.3144 0.4560 7 13 4.4593 1.6716 7 14 1.2941 0.4752 7 15 1.8409 1.2322 7 16 1.3349 0.4740 7 17 1.3366 0.5153 7 18 1.2304 0.4228 7 19 1.2432 0.4375 7 20 1.2367 0.4344 7 21 1.2299 0.4250 7 22 1.2049 0.4176 7 23 1.2357 0.4389 7 24 1.2148 0.4356 7 25 1.4020 0.4772 7 26 1.2601 0.4555 7 27 1.2173 0.4435 7 28 1.3880 0.4846 7 29 1.2254 0.4212 7 30 1.3191 0.4577 7 31 1.3120 0.4615 7 32 1.2965 0.4711 8 1 1.3642 0.5193 8 2 1.2513 0.4448 8 3 1.3166 0.4517 8 4 1.1989 0.4067 8 5 1.5440 0.4856 8 6 1.3043 0.4412 8 7 1.4410 0.6703 8 8 1.2244 0.4181 8 9 1.2546 0.4283 8 10 1.2395 0.4314 8 11 1.2864 0.4725 8 12 1.3156 0.4500 8 13 4.4047 1.6446 8 14 1.3043 0.4711 8 15 1.8353 1.2287 8 16 1.3483 0.4804 8 17 1.3524 0.5221 8 18 1.2424 0.4239 8 19 1.2523 0.4358 8 20 1.2529 0.4341 8 21 1.2329 0.4266 8 22 1.2162 0.4184 8 23 1.2425 0.4338 8 24 1.2273 0.4370 8 25 1.4073 0.4757 8 26 1.2671 0.4522 8 27 1.2277 0.4409 8 28 1.3820 0.4777 8 29 1.2375 0.4211 8 30 1.3318 0.4605 8 31 1.3166 0.4470 8 32 1.3088 0.4699 9 1 1.6545 0.6234 9 2 1.5006 0.4990 9 3 1.6349 0.5442 9 4 1.5366 0.4627 9 5 1.4361 0.5577 9 6 1.6374 0.5160 9 7 1.7713 0.7882 9 8 1.4943 0.4763 9 9 1.5795 0.4977 9 10 1.5463 0.4896 9 11 1.5603 0.5684 9 12 1.5025 0.5023 9 13 3.8173 1.3829 9 14 1.5770 0.5346 9 15 1.7879 1.0876 9 16 1.6480 0.6181 9 17 1.6874 0.6446 9 18 1.5554 0.4827 9 19 1.5395 0.4877 9 20 1.5677 0.4831 9 21 1.5068 0.4978 9 22 1.5198 0.4851 9 23 1.5100 0.4852 9 24 1.5513 0.5135 9 25 1.6398 0.5722 9 26 1.5354 0.5027 9 27 1.5294 0.4806 9 28 1.4496 0.5442 9 29 1.5501 0.4927 9 30 1.6326 0.5342 9 31 1.3841 0.4026 9 32 1.5929 0.5276 10 1 1.2188 0.5029 10 2 1.1197 0.4262 10 3 1.1759 0.4320 10 4 1.0554 0.3850 10 5 1.4349 0.4828 10 6 1.1580 0.4191 10 7 1.3018 0.6529 10 8 1.0912 0.4018 10 9 1.1141 0.4099 10 10 1.1025 0.4080 10 11 1.1594 0.4539 10 12 1.1947 0.4404 10 13 4.3918 1.7169 10 14 1.1771 0.4739 10 15 1.7009 1.2122 10 16 1.2104 0.4608 10 17 1.2135 0.5042 10 18 1.1076 0.4019 10 19 1.1178 0.4190 10 20 1.1129 0.4152 10 21 1.1155 0.4018 10 22 1.0813 0.3950 10 23 1.1115 0.4210 10 24 1.0916 0.4165 10 25 1.2754 0.4640 10 26 1.1344 0.4350 10 27 1.0905 0.4226 10 28 1.2642 0.4730 10 29 1.1041 0.4027 10 30 1.1865 0.4363 10 31 1.1630 0.4530 10 32 1.1678 0.4522 11 1 1.2188 0.5003 11 2 1.1104 0.3773 11 3 1.2095 0.4399 11 4 1.1121 0.3687 11 5 1.1273 0.3710 11 6 1.1954 0.3994 11 7 1.3582 0.7082 11 8 1.1091 0.3631 11 9 1.1617 0.4006 11 10 1.1436 0.3685 11 11 1.1957 0.4355 11 12 1.1557 0.3726 11 13 3.8080 1.6740 11 14 1.1939 0.4907 11 15 1.3329 0.9355 11 16 1.2367 0.4924 11 17 1.2707 0.5455 11 18 1.1568 0.3682 11 19 1.1450 0.3799 11 20 1.1484 0.3828 11 21 1.1719 0.3655 11 22 1.1238 0.3710 11 23 1.1327 0.3764 11 24 1.1553 0.4102 11 25 1.2509 0.4344 11 26 1.1474 0.3853 11 27 1.1284 0.3740 11 28 1.1098 0.4138 11 29 1.1625 0.3833 11 30 1.1860 0.4127 11 31 0.8670 0.3425 11 32 1.1700 0.4091 12 1 1.4285 0.6057 12 2 1.2669 0.4745 12 3 1.4046 0.5241 12 4 1.2879 0.4468 12 5 1.2497 0.5111 12 6 1.4010 0.4990 12 7 1.5759 0.8381 12 8 1.2612 0.4525 12 9 1.3424 0.4818 12 10 1.3131 0.4673 12 11 1.3360 0.5411 12 12 1.2872 0.4692 12 13 3.8312 1.4986 12 14 1.3483 0.5330 12 15 1.5652 1.0989 12 16 1.4225 0.5905 12 17 1.4603 0.6311 12 18 1.3228 0.4585 12 19 1.3101 0.4653 12 20 1.3249 0.4656 12 21 1.2891 0.4682 12 22 1.2814 0.4639 12 23 1.2845 0.4595 12 24 1.3153 0.4990 12 25 1.4378 0.5284 12 26 1.3096 0.4824 12 27 1.2962 0.4602 12 28 1.2382 0.5068 12 29 1.3177 0.4703 12 30 1.4023 0.5110 12 31 1.1092 0.3984 12 32 1.3624 0.5040 13 1 1.4290 0.5085 13 2 1.3408 0.4494 13 3 1.3781 0.4466 13 4 1.2660 0.4131 13 5 1.6913 0.5021 13 6 1.3626 0.4358 13 7 1.4977 0.6344 13 8 1.3104 0.4307 13 9 1.3216 0.4301 13 10 1.3165 0.4349 13 11 1.3636 0.4686 13 12 1.4134 0.4694 13 13 4.5903 1.6800 13 14 1.3818 0.4710 13 15 1.9625 1.2344 13 16 1.4110 0.4637 13 17 1.4071 0.5000 13 18 1.3149 0.4275 13 19 1.3319 0.4445 13 20 1.3207 0.4382 13 21 1.3221 0.4320 13 22 1.2950 0.4206 13 23 1.3284 0.4492 13 24 1.2999 0.4341 13 25 1.4830 0.4873 13 26 1.3511 0.4623 13 27 1.3067 0.4504 13 28 1.5025 0.4955 13 29 1.3102 0.4255 13 30 1.3989 0.4573 13 31 1.4404 0.4718 13 32 1.3808 0.4748 14 1 1.0609 0.5042 14 2 0.9389 0.3973 14 3 1.0409 0.4437 14 4 0.9325 0.3661 14 5 1.0610 0.4222 14 6 1.0309 0.4141 14 7 1.1459 0.6403 14 8 0.9226 0.3645 14 9 0.9821 0.4018 14 10 0.9545 0.3782 14 11 1.0129 0.4564 14 12 0.9929 0.3900 14 13 3.9858 1.7100 14 14 1.0270 0.4865 14 15 1.3542 1.1192 14 16 1.0737 0.4933 14 17 1.0956 0.5466 14 18 0.9703 0.3851 14 19 0.9589 0.3909 14 20 0.9827 0.3989 14 21 0.9603 0.3780 14 22 0.9344 0.3786 14 23 0.9423 0.3794 14 24 0.9588 0.4128 14 25 1.0944 0.4374 14 26 0.9626 0.3950 14 27 0.9379 0.3823 14 28 0.9896 0.4193 14 29 0.9724 0.3889 14 30 1.0278 0.4230 14 31 0.8323 0.3560 14 32 1.0100 0.4226 15 1 1.5236 0.5583 15 2 1.3877 0.4610 15 3 1.4733 0.4763 15 4 1.3394 0.4336 15 5 1.6326 0.4998 15 6 1.4609 0.4731 15 7 1.6724 0.8323 15 8 1.3662 0.4395 15 9 1.4077 0.4522 15 10 1.3965 0.4592 15 11 1.4232 0.4938 15 12 1.4436 0.4613 15 13 4.3838 1.5752 15 14 1.4342 0.4922 15 15 1.9298 1.2372 15 16 1.5042 0.5097 15 17 1.5111 0.5499 15 18 1.3897 0.4423 15 19 1.4025 0.4543 15 20 1.3904 0.4554 15 21 1.3815 0.4449 15 22 1.3605 0.4479 15 23 1.3893 0.4539 15 24 1.3788 0.4656 15 25 1.5685 0.4856 15 26 1.4176 0.4748 15 27 1.3796 0.4623 15 28 1.4906 0.4908 15 29 1.3843 0.4439 15 30 1.4973 0.4854 15 31 1.4111 0.4656 15 32 1.4579 0.4924 16 1 1.3816 0.5129 16 2 1.2844 0.4466 16 3 1.3314 0.4467 16 4 1.2129 0.4099 16 5 1.6228 0.4980 16 6 1.3155 0.4367 16 7 1.4575 0.6567 16 8 1.2550 0.4262 16 9 1.2718 0.4283 16 10 1.2645 0.4328 16 11 1.3123 0.4685 16 12 1.3570 0.4632 16 13 4.5312 1.6835 16 14 1.3294 0.4750 16 15 1.8941 1.2341 16 16 1.3645 0.4680 16 17 1.3633 0.5067 16 18 1.2640 0.4242 16 19 1.2795 0.4407 16 20 1.2685 0.4360 16 21 1.2697 0.4272 16 22 1.2409 0.4187 16 23 1.2744 0.4447 16 24 1.2487 0.4344 16 25 1.4362 0.4819 16 26 1.2982 0.4592 16 27 1.2536 0.4470 16 28 1.4388 0.4914 16 29 1.2591 0.4229 16 30 1.3506 0.4566 16 31 1.3649 0.4705 16 32 1.3299 0.4730