# Bonding information for index 548 -- LYS_8@O 0MA_15@H3O 0MA_15@O3 # Index Sim # Frame Type Length Angle N-N dist ## Starting information for simulation # 1 ## Starting information for simulation # 2 548 2 846 2 2.73 2.5599 13.230 548 2 847 2 2.69 2.8191 13.127 548 2 848 2 2.60 2.4615 13.235 548 2 849 2 2.61 2.6586 13.731 548 2 851 2 2.68 2.7687 13.592 548 2 852 2 2.70 2.9650 13.327 548 2 853 2 2.66 2.4361 13.565 548 2 854 2 2.62 2.7724 13.191 548 2 855 2 2.87 2.2990 13.089 548 2 856 2 2.70 2.7669 13.697 548 2 857 2 2.57 2.5189 13.271 548 2 858 2 2.97 2.3866 13.266 548 2 859 2 2.90 2.3003 13.253 548 2 862 2 2.71 2.6079 13.184 548 2 863 2 2.70 2.8199 13.207 548 2 864 2 2.75 2.8086 13.027 548 2 865 2 2.88 2.9341 12.942 548 2 5828 2 2.67 2.6958 10.429 548 2 5829 2 2.66 2.8983 9.529 548 2 5840 2 2.75 2.3572 9.946 548 2 5841 2 2.73 2.8230 9.826 548 2 5842 2 2.69 2.9008 9.916 548 2 6652 2 2.61 2.8144 9.423 548 2 6653 2 2.66 2.5461 10.101 548 2 6654 2 2.74 3.0770 9.536 548 2 6655 2 2.64 2.4647 8.851 548 2 6656 2 2.87 2.9685 9.369 ## Starting information for simulation # 3 548 3 507 2 2.68 2.4710 12.085 548 3 508 2 3.00 2.7660 11.567 548 3 8032 2 2.62 2.8372 10.950 548 3 8033 2 2.67 2.9263 11.325 548 3 8034 2 2.56 2.9011 11.060 548 3 8035 2 2.64 2.2664 11.216 548 3 8036 2 2.74 2.7398 11.099 548 3 8037 2 2.64 2.6531 10.655 548 3 8038 2 2.67 3.0821 10.678 548 3 8039 2 2.77 2.3596 10.687 548 3 8040 2 2.86 2.8954 10.736 548 3 8041 2 2.68 2.8659 10.549 548 3 8042 2 2.57 2.4595 10.535 548 3 8044 2 2.75 2.6469 10.468 548 3 8045 2 2.72 2.6576 10.443 ## Starting information for simulation # 4 548 4 4066 2 2.94 2.3065 13.254 548 4 4229 2 2.93 2.5627 12.113 548 4 4969 2 2.99 2.4265 11.013 548 4 5007 2 2.72 2.8854 9.324 ## Starting information for simulation # 5 548 5 3139 2 2.65 2.6270 9.008 548 5 3282 2 2.68 2.6723 9.020 548 5 3378 2 2.86 2.9505 9.345 548 5 3530 2 2.96 2.5213 9.214 ## Starting information for simulation # 6 548 6 5796 2 2.67 3.0076 10.055 548 6 5797 2 2.98 2.4452 10.250 548 6 5799 2 2.97 2.7185 9.468 548 6 5800 2 2.81 2.5510 9.281 ## Starting information for simulation # 7 548 7 5931 2 2.76 2.6094 12.788 548 7 5932 2 2.91 2.5609 13.102 548 7 6089 2 2.90 2.4433 12.729 ## Starting information for simulation # 8 548 8 126 2 2.78 3.0170 9.955 548 8 127 2 2.67 3.1235 9.705 548 8 128 2 2.69 2.7758 10.490 548 8 129 2 2.78 2.6221 10.559 548 8 130 2 2.71 2.6817 10.083 548 8 131 2 2.73 2.6947 10.763 548 8 132 2 2.72 2.8697 9.724 548 8 133 2 2.64 2.8588 9.676 548 8 134 2 2.71 2.7676 9.802 548 8 137 2 2.79 3.1174 9.843 548 8 138 2 2.92 2.9752 8.523 548 8 381 2 2.63 3.0520 9.935 548 8 383 2 2.80 2.5062 10.305 548 8 384 2 2.68 2.8295 10.260 548 8 756 2 2.68 2.9344 9.577 548 8 1372 2 2.94 2.7346 10.725 ## Starting information for simulation # 9 548 9 2160 2 2.71 2.8087 13.280 548 9 4637 2 2.74 2.7075 10.647 548 9 4703 2 2.90 2.7307 10.645 548 9 6541 2 2.77 2.0086 11.997 548 9 6596 2 2.76 2.7215 12.819 548 9 6665 2 2.81 2.5787 12.461 548 9 6715 2 2.88 2.3320 12.719 548 9 7515 2 2.73 2.3905 12.330 548 9 8843 2 2.82 2.4923 12.300 ## Starting information for simulation # 10 ## Starting information for simulation # 11 548 11 2378 2 2.74 2.4520 10.764 548 11 2379 2 2.67 2.8098 11.017 548 11 2380 2 2.79 2.9372 10.804 548 11 2381 2 2.68 2.7909 11.007 548 11 2382 2 2.62 3.0415 10.820 548 11 2385 2 2.59 2.8356 10.826 548 11 2386 2 2.64 2.7571 10.670 548 11 2387 2 2.60 2.8850 10.611 548 11 2388 2 2.89 2.8471 10.938 548 11 2389 2 2.74 2.8259 10.759 548 11 2390 2 2.67 2.8134 11.027 548 11 2392 2 2.90 2.8549 11.335 548 11 2393 2 2.89 2.6278 11.157 548 11 2394 2 2.73 2.8406 10.886 548 11 2395 2 2.62 2.7770 11.363 548 11 2396 2 2.65 3.0590 10.752 548 11 2397 2 2.63 2.7123 10.985 548 11 2398 2 2.77 2.8854 10.903 548 11 2399 2 2.65 2.8297 10.303 548 11 2400 2 2.62 2.5391 11.260 548 11 2401 2 2.77 2.6228 10.877 548 11 2402 2 2.81 2.7638 10.545 548 11 2403 2 2.69 2.8773 10.992 548 11 2404 2 2.74 2.7117 10.741 548 11 2405 2 2.68 2.8550 10.891 548 11 2406 2 2.73 2.6361 10.716 548 11 2407 2 2.72 2.9452 10.914 548 11 2408 2 2.60 2.6341 11.006 548 11 2409 2 2.72 2.7109 10.752 548 11 2410 2 2.81 2.5598 10.897 548 11 2411 2 2.68 2.9278 10.603 548 11 2412 2 2.82 2.7656 11.006 548 11 2414 2 2.74 2.9360 10.184 548 11 2415 2 2.64 2.8698 10.591 548 11 2416 2 2.57 2.6355 10.816 548 11 2417 2 2.74 2.6046 10.597 548 11 2418 2 2.76 2.9084 10.838 548 11 2419 2 2.62 2.7433 10.634 548 11 6835 2 2.74 2.6594 12.434 548 11 6837 2 2.71 2.6599 12.353 548 11 6838 2 2.94 2.8376 12.566 548 11 6839 2 2.61 2.7115 12.429 548 11 6840 2 2.91 2.5602 12.453 548 11 6841 2 2.79 2.9776 12.854 ## Starting information for simulation # 12 548 12 4142 2 2.94 2.5319 6.528 ## Starting information for simulation # 13 ## Starting information for simulation # 14 548 14 5714 2 2.82 2.7693 5.687 548 14 5842 2 2.75 2.2646 6.805 548 14 6035 2 2.97 2.4819 8.863 548 14 6038 2 2.75 2.6272 9.153 548 14 6401 2 2.63 2.5123 8.850 548 14 6409 2 2.89 2.4645 8.753 548 14 8482 2 2.78 2.8155 6.656 548 14 8717 2 2.89 2.4764 9.242 548 14 8752 2 2.82 2.4606 8.828 548 14 8775 2 2.81 2.5593 8.556 ## Starting information for simulation # 15 548 15 9011 2 2.70 2.8270 10.861 ## Starting information for simulation # 16 ## Starting information for simulation # 17 548 17 235 2 2.94 2.5775 14.340 548 17 4873 2 2.84 2.5649 10.637 ## Starting information for simulation # 18 548 18 2878 2 2.93 2.6248 11.035 548 18 2880 2 2.62 2.7400 10.954 548 18 2881 2 2.70 2.9431 11.106 548 18 2882 2 2.86 2.8145 10.568 548 18 2883 2 2.72 2.9675 11.578 548 18 2884 2 2.74 2.7137 10.545 548 18 2885 2 2.60 2.5384 10.433 548 18 2890 2 2.91 2.6644 11.464 548 18 2891 2 2.89 1.8514 11.201 548 18 2892 2 2.79 2.8679 11.416 548 18 2894 2 2.42 2.9143 10.640 548 18 2895 2 2.73 2.9958 10.977 548 18 2896 2 2.95 2.7545 10.826 548 18 2897 2 2.78 3.0134 10.756 548 18 2898 2 2.82 2.9127 11.011 548 18 2899 2 2.99 2.6650 10.476 548 18 2900 2 2.63 2.6169 10.307 548 18 2901 2 2.70 2.6175 9.987 ## Starting information for simulation # 19 548 19 327 2 2.67 2.6412 12.953 548 19 755 2 2.76 2.5022 9.709 548 19 3355 2 2.86 2.6503 9.463 548 19 4168 2 2.90 2.5627 13.257 548 19 4582 2 2.82 2.4838 13.519 548 19 5081 2 2.65 2.6744 13.715 548 19 7821 2 2.83 2.7377 10.232 548 19 8230 2 2.93 2.5018 9.113 548 19 8299 2 2.94 2.4794 12.526 ## Starting information for simulation # 20 548 20 329 2 2.88 2.3874 8.704 548 20 377 2 2.92 2.2601 9.235 548 20 4290 2 2.91 2.4428 11.155 548 20 4291 2 2.91 2.5742 10.873 548 20 5395 2 2.96 2.5081 10.061 548 20 5551 2 2.98 2.4367 10.433 548 20 5570 2 2.82 2.0866 9.966 548 20 5624 2 3.00 2.7102 10.519 548 20 5627 2 2.90 2.6401 10.168 548 20 5684 2 2.63 2.7740 9.720 548 20 5685 2 2.82 2.6565 9.509 548 20 6146 2 2.96 2.2220 9.046 548 20 6148 2 2.97 2.5951 9.112 548 20 6185 2 2.87 2.2847 7.882 548 20 6207 2 2.87 2.4711 7.543 ## Starting information for simulation # 21 548 21 59 2 2.93 2.4779 8.704 548 21 2969 2 2.99 2.5054 7.530 ## Starting information for simulation # 22 ## Starting information for simulation # 23 ## Starting information for simulation # 24 548 24 1063 2 2.97 2.4122 12.700 548 24 1500 2 2.77 2.6931 11.116 548 24 2158 2 2.90 2.2993 11.507 548 24 2161 2 2.90 2.3292 11.054 548 24 7741 2 2.83 2.3115 13.655 ## Starting information for simulation # 25 548 25 4712 2 2.85 3.1204 11.385 548 25 4713 2 2.79 2.9356 12.860 548 25 8879 2 2.76 2.9816 12.446 548 25 8880 2 2.76 2.8064 12.424 ## Starting information for simulation # 26 548 26 1196 2 2.66 2.7455 9.526 548 26 6178 2 2.60 2.3398 8.901 548 26 6179 2 2.81 2.5914 8.192 548 26 6180 2 2.72 2.7715 8.429 548 26 6181 2 2.81 2.5800 8.826 548 26 6182 2 2.75 2.8935 8.677 548 26 6183 2 2.66 2.8268 9.211 548 26 6184 2 2.77 2.8314 9.255 548 26 6185 2 2.87 2.2909 9.172 548 26 6187 2 2.90 2.5360 9.127 548 26 6191 2 2.67 2.7811 9.753 548 26 6192 2 2.73 2.6558 9.624 548 26 6193 2 2.54 2.5959 9.800 548 26 6194 2 2.77 2.7997 9.807 548 26 6195 2 2.86 2.7555 9.904 548 26 6196 2 2.67 3.0129 9.657 548 26 6197 2 2.54 2.7765 9.862 ## Starting information for simulation # 27 548 27 9387 2 2.65 3.0248 12.121 548 27 9388 2 2.75 2.8382 11.147 548 27 9389 2 2.54 2.9368 11.099 548 27 9390 2 2.83 2.5785 11.439 548 27 9391 2 2.68 2.9159 11.865 548 27 9392 2 2.87 2.2459 11.211 ## Starting information for simulation # 28 548 28 1847 2 2.58 2.7599 13.160 548 28 1848 2 2.75 2.7888 13.070 ## Starting information for simulation # 29 548 29 1834 2 2.97 2.5624 13.331 548 29 2834 2 2.94 1.7865 12.427 548 29 2889 2 2.90 2.2576 13.071 548 29 3971 2 2.91 2.7754 12.917 ## Starting information for simulation # 30 548 30 744 2 2.92 2.1334 11.930 548 30 745 2 2.73 2.6107 11.929 548 30 891 2 2.63 2.5540 12.075 548 30 1421 2 2.77 2.6170 13.327 548 30 1467 2 2.59 2.9267 12.393 548 30 1470 2 2.85 2.0047 11.900 548 30 1474 2 2.86 2.6498 12.228 548 30 1816 2 2.88 2.1387 12.822 548 30 2369 2 2.87 2.4714 12.584 548 30 2550 2 2.84 2.2609 13.381 548 30 2559 2 2.82 2.6058 12.657 548 30 6572 2 2.98 2.2772 13.176 548 30 6943 2 2.74 2.6422 11.708 548 30 7217 2 2.79 2.5195 12.106 548 30 7462 2 2.93 2.4503 12.619 548 30 8902 2 2.97 2.6681 10.260 548 30 9215 2 2.89 2.4510 7.493 548 30 9282 2 2.71 2.7389 8.783 548 30 9418 2 2.78 2.6117 8.668 ## Starting information for simulation # 31 ## Starting information for simulation # 32 548 32 650 2 2.85 2.4361 11.038 548 32 651 2 2.63 2.6811 11.314 548 32 1233 2 2.74 2.3352 11.730 548 32 2650 2 2.89 2.3397 10.095 548 32 3990 2 2.79 2.5050 8.837 548 32 5143 2 2.66 2.8900 12.759 548 32 6733 2 2.73 2.7453 12.171 ## Starting information for simulation # 33 548 33 1088 2 2.57 2.3874 13.504 548 33 1089 2 2.79 2.8483 13.092 548 33 1090 2 2.70 2.8646 13.549 548 33 1092 2 2.72 2.9709 13.335 548 33 1093 2 2.73 2.6284 13.588 548 33 5622 2 2.70 2.9302 13.114 548 33 5623 2 2.70 2.9007 12.971 548 33 5624 2 2.66 2.3861 13.153 548 33 5631 2 2.74 2.6776 12.911 548 33 5632 2 2.88 2.8095 13.170 548 33 5776 2 2.67 2.9462 12.548 548 33 5777 2 2.64 2.9256 11.552 548 33 6021 2 2.80 2.8309 13.002 548 33 6022 2 2.75 3.0129 13.020 548 33 8765 2 2.89 2.7347 10.238 ## Starting information for simulation # 34 548 34 1274 2 2.81 2.3341 14.338 548 34 1591 2 2.84 2.2287 12.835 548 34 2871 2 2.73 2.4184 11.126 548 34 3137 2 2.77 2.3990 10.909 548 34 3161 2 2.86 2.3407 10.420 548 34 3162 2 2.75 2.8443 9.332 548 34 3164 2 2.72 2.5592 9.371 548 34 3737 2 2.77 2.5134 10.962 548 34 3804 2 2.62 2.6526 12.379 548 34 6370 2 2.99 2.5344 13.213 548 34 7161 2 2.83 2.7829 13.203 548 34 7162 2 2.73 2.7597 13.337 548 34 9891 2 2.82 2.6841 11.715 548 34 9983 2 2.94 1.9223 12.493 548 34 10674 2 2.78 2.7215 12.717 ## Starting information for simulation # 35 ## Starting information for simulation # 36 548 36 3873 2 2.79 2.5094 11.490 548 36 5385 2 2.73 2.5889 9.135 548 36 7152 2 2.99 2.3915 8.612