# Bonding information for index 42 -- LYS_8@O THR_7@HG1 THR_7@OG1 # Index Sim # Frame Type Length Angle N-N dist ## Starting information for simulation # 1 ## Starting information for simulation # 2 42 2 233 3 2.81 2.5190 8.173 42 2 324 3 2.88 3.0176 8.684 42 2 8701 3 2.87 2.8177 10.055 42 2 8737 3 2.92 2.8529 8.286 42 2 8884 3 2.77 2.9246 10.977 42 2 9253 3 2.75 2.7721 9.493 ## Starting information for simulation # 3 42 3 3504 3 3.00 2.7932 8.051 42 3 3519 3 2.77 2.8102 8.118 42 3 3657 3 2.97 2.7103 7.565 42 3 3850 3 2.65 3.0148 8.914 42 3 4170 3 2.98 2.7622 9.787 42 3 4277 3 2.69 2.7915 9.066 42 3 10331 3 2.95 2.7850 7.468 42 3 10332 3 2.96 2.5830 7.785 42 3 10334 3 2.71 2.8024 8.135 42 3 10336 3 2.75 2.9462 7.437 42 3 10341 3 2.71 2.9136 9.189 42 3 10343 3 2.91 2.7205 9.116 ## Starting information for simulation # 4 ## Starting information for simulation # 5 42 5 2189 3 2.70 2.8256 11.151 42 5 2673 3 2.76 2.9353 10.099 42 5 2777 3 3.00 2.5765 11.030 42 5 4430 3 2.88 2.7554 10.423 42 5 5026 3 2.95 2.2623 11.429 42 5 5229 3 2.84 2.5967 11.753 42 5 5235 3 2.96 3.0463 11.662 42 5 5485 3 2.84 2.6402 11.191 42 5 5590 3 2.86 2.5840 11.584 42 5 5849 3 2.96 2.6226 10.132 ## Starting information for simulation # 6 ## Starting information for simulation # 7 42 7 36 3 2.95 2.9427 6.043 42 7 79 3 2.78 2.8415 7.982 42 7 3508 3 2.96 2.7797 9.780 42 7 3834 3 2.81 1.8781 10.457 42 7 3839 3 2.94 2.4337 10.105 42 7 3940 3 2.82 2.7843 9.897 42 7 9419 3 2.69 3.0576 9.521 ## Starting information for simulation # 8 ## Starting information for simulation # 9 42 9 7668 3 2.88 3.1054 7.924 ## Starting information for simulation # 10 ## Starting information for simulation # 11 42 11 204 3 2.77 2.8783 11.911 42 11 519 3 2.66 2.5368 10.321 ## Starting information for simulation # 12 ## Starting information for simulation # 13 42 13 1018 3 2.71 2.9625 8.346 42 13 1052 3 2.95 2.3005 11.276 42 13 1632 3 2.92 2.5088 8.009 ## Starting information for simulation # 14 42 14 2689 3 2.78 2.4776 10.462 42 14 8428 3 2.67 2.7089 10.893 42 14 9588 3 2.75 2.7721 9.256 ## Starting information for simulation # 15 ## Starting information for simulation # 16 ## Starting information for simulation # 17 ## Starting information for simulation # 18 42 18 17 3 2.82 2.7789 10.516 42 18 262 3 2.99 2.0275 11.379 42 18 290 3 2.98 2.2849 9.422 42 18 3055 3 2.77 3.0934 9.641 42 18 3084 3 2.93 2.5241 10.766 42 18 3085 3 2.85 1.9707 11.202 42 18 4095 3 2.96 2.9472 9.711 42 18 8388 3 2.97 2.6498 9.823 42 18 8394 3 2.78 2.6216 10.243 42 18 8717 3 2.78 2.2489 10.659 42 18 9417 3 2.83 2.4116 8.567 ## Starting information for simulation # 19 42 19 156 3 2.82 2.8926 8.822 42 19 178 3 2.97 2.7895 8.569 42 19 4188 3 2.82 2.7281 9.431 42 19 4268 3 2.99 2.2453 11.305 42 19 4847 3 2.66 2.7029 10.941 42 19 4971 3 2.93 2.9073 8.742 ## Starting information for simulation # 20 42 20 142 3 2.95 2.6653 10.143 42 20 4323 3 2.86 3.0111 10.398 42 20 4535 3 2.98 2.7686 11.814 42 20 4983 3 2.79 2.9516 11.502 42 20 5039 3 2.66 2.8547 12.859 42 20 5040 3 2.96 2.8287 12.082 42 20 5108 3 2.98 2.9154 12.213 42 20 5109 3 2.78 2.7592 12.551 42 20 5412 3 2.95 2.4017 11.150 42 20 5751 3 2.71 2.5826 13.270 42 20 11056 3 2.73 2.8250 9.174 ## Starting information for simulation # 21 42 21 1001 3 2.74 2.9773 10.401 42 21 2162 3 2.99 2.8485 10.700 42 21 2224 3 2.91 2.8663 10.716 42 21 2568 3 2.93 2.3105 11.378 42 21 5573 3 2.75 2.7603 9.415 42 21 5595 3 3.00 2.9879 9.426 42 21 5598 3 2.94 2.3569 9.117 42 21 5719 3 2.56 2.7664 9.325 42 21 5756 3 2.92 3.0255 9.079 ## Starting information for simulation # 22 42 22 8239 3 2.98 2.5278 11.307 42 22 8524 3 2.76 2.5547 10.775 42 22 8561 3 2.84 2.7839 10.208 42 22 8736 3 2.77 3.0132 10.831 42 22 8863 3 2.97 2.9763 11.440 ## Starting information for simulation # 23 42 23 206 3 2.67 2.8344 10.089 42 23 233 3 2.61 2.7931 10.349 42 23 261 3 2.79 2.8718 9.773 42 23 2213 3 2.79 3.0042 8.495 42 23 2489 3 2.98 2.7870 9.522 42 23 2607 3 2.78 3.0745 9.063 42 23 2635 3 2.67 2.8977 8.321 42 23 2695 3 2.57 2.6541 8.593 42 23 3640 3 2.98 2.4830 11.420 42 23 7232 3 2.53 2.7756 11.243 42 23 7299 3 2.82 3.0247 12.795 42 23 7384 3 2.96 3.1220 12.010 42 23 7500 3 2.91 2.7673 11.017 42 23 7622 3 2.97 2.9081 8.920 42 23 7739 3 2.81 2.4539 8.728 ## Starting information for simulation # 24 42 24 3042 3 2.66 2.6483 5.855 42 24 3054 3 2.55 2.6870 6.003 42 24 3087 3 2.84 2.8571 6.178 42 24 3088 3 2.79 2.8707 5.589 42 24 3092 3 2.85 2.6573 5.945 42 24 3162 3 2.99 2.7460 8.860 ## Starting information for simulation # 25 42 25 231 3 2.73 2.1872 10.284 ## Starting information for simulation # 26 42 26 544 3 2.91 2.5129 10.214 42 26 7841 3 2.94 2.8289 7.426 ## Starting information for simulation # 27 ## Starting information for simulation # 28 42 28 6462 3 2.94 3.0322 10.158 42 28 6535 3 3.00 2.5712 10.224 42 28 6645 3 2.80 2.5404 9.888 42 28 7704 3 2.74 2.3849 12.177 42 28 8332 3 2.90 2.9732 9.614 42 28 8516 3 2.63 3.0056 9.050 42 28 9512 3 2.89 3.0137 10.440 42 28 9868 3 2.81 2.8071 9.896 ## Starting information for simulation # 29 ## Starting information for simulation # 30 ## Starting information for simulation # 31 ## Starting information for simulation # 32 42 32 7999 3 3.00 2.3996 5.814 42 32 8007 3 2.84 2.8805 6.171 42 32 8033 3 2.95 2.4964 8.042 42 32 8147 3 2.92 2.8543 6.414 42 32 8232 3 2.75 2.9490 6.742 42 32 8239 3 2.75 2.7978 7.281 ## Starting information for simulation # 33 42 33 691 3 2.73 2.8813 11.462 42 33 692 3 2.76 2.6831 11.917 42 33 734 3 2.84 2.7339 12.235 42 33 1191 3 2.68 2.4531 9.190 42 33 2471 3 2.84 2.7482 10.136 42 33 3428 3 2.84 2.3061 12.746 42 33 3804 3 2.94 2.8104 10.880 42 33 9580 3 2.95 2.7449 11.288 42 33 9703 3 2.84 2.7350 9.481 ## Starting information for simulation # 34 ## Starting information for simulation # 35 ## Starting information for simulation # 36 42 36 618 3 2.85 2.6510 13.435 42 36 1301 3 2.87 3.0381 10.786 ## Starting information for simulation # 37 42 37 3953 3 2.79 2.8893 9.236 42 37 10134 3 2.88 2.3282 11.230 42 37 10198 3 2.69 2.8190 10.927 ## Starting information for simulation # 38 42 38 4159 3 2.81 2.6149 9.885 42 38 4754 3 2.77 2.7557 7.072 42 38 6865 3 2.92 2.0674 11.418 42 38 6913 3 2.61 2.6671 10.989 ## Starting information for simulation # 39 42 39 3853 3 2.96 2.5905 11.319 42 39 3903 3 2.94 2.7367 11.255 42 39 8819 3 2.70 2.8433 10.076 ## Starting information for simulation # 40 ## Starting information for simulation # 41 42 41 3042 3 2.78 2.7381 9.320 42 41 3157 3 2.99 2.8105 8.968 42 41 3773 3 2.90 2.8272 11.282 42 41 3798 3 2.87 2.2907 9.028 42 41 3832 3 2.92 2.8826 10.138 42 41 8586 3 2.87 3.0297 10.362 42 41 8641 3 2.77 2.5226 10.699 42 41 8714 3 2.86 2.6108 8.966 42 41 8747 3 2.93 2.6838 8.847 42 41 8757 3 2.64 2.7276 8.717 ## Starting information for simulation # 42 42 42 4325 3 2.83 2.6605 9.617 42 42 4847 3 2.81 2.8902 9.712 42 42 4960 3 2.67 2.5286 11.066 42 42 5069 3 2.85 2.8168 9.333 42 42 5091 3 2.74 2.9120 9.891 42 42 5092 3 2.82 2.1550 10.358 42 42 5264 3 2.59 2.9274 10.140 ## Starting information for simulation # 43 42 43 27 3 2.79 2.9299 6.607 42 43 72 3 2.82 2.8275 9.550 ## Starting information for simulation # 44 42 44 5813 3 2.57 2.8617 10.456 42 44 5916 3 2.91 2.6365 10.607 42 44 6132 3 2.98 2.7074 10.206 42 44 6236 3 2.89 2.8171 9.692 42 44 6458 3 2.73 2.2562 10.792 42 44 10943 3 2.92 2.3853 10.845 ## Starting information for simulation # 45 42 45 333 3 2.84 2.9478 11.782 42 45 496 3 2.94 2.1719 9.794 42 45 1198 3 2.99 2.8023 10.563 42 45 1217 3 2.84 2.8766 11.233 42 45 1295 3 2.58 3.0190 10.206 42 45 1350 3 2.66 2.9541 9.150 42 45 1422 3 2.80 2.6359 10.476 42 45 1505 3 2.74 2.9099 9.804 42 45 2543 3 2.75 2.8618 9.532 42 45 4044 3 2.86 2.7928 8.042 42 45 4114 3 2.99 2.8478 9.610 42 45 4115 3 2.93 2.7831 9.804 42 45 4796 3 2.72 2.7406 8.848 42 45 4797 3 2.93 2.0321 8.847 42 45 5007 3 2.66 2.6837 9.136 42 45 5430 3 2.75 2.7746 8.366 42 45 5448 3 2.99 2.9329 9.713 42 45 5452 3 2.89 2.7342 9.700 42 45 5453 3 2.77 2.7415 8.809 42 45 8838 3 2.70 3.0704 9.975 ## Starting information for simulation # 46 42 46 2357 3 2.80 2.9813 11.690 42 46 2655 3 2.85 2.5488 13.004 42 46 2719 3 2.76 2.9622 13.331 42 46 2996 3 2.81 2.8494 12.841 42 46 3004 3 2.98 2.8223 10.107 42 46 3005 3 2.95 2.5103 11.440 42 46 3747 3 2.85 1.9486 12.951 ## Starting information for simulation # 47 42 47 3018 3 2.98 2.7741 13.142 42 47 7396 3 2.74 2.7268 12.222 42 47 7438 3 2.79 2.8177 9.982 ## Starting information for simulation # 48 42 48 3375 3 2.79 2.4942 11.521 42 48 7283 3 2.85 2.5416 13.286 42 48 7284 3 2.67 2.7410 12.701