# Bonding information for index 230 -- THR_6@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 # 2 230 2 3726 3 2.94 2.5019 5.848 ## Starting information for simulation # 3 ## Starting information for simulation # 4 230 4 356 3 2.94 2.2204 10.493 ## Starting information for simulation # 5 230 5 256 3 2.92 1.8927 4.101 230 5 333 3 2.95 2.6884 6.984 230 5 419 3 2.97 2.4980 5.000 230 5 651 3 2.83 2.6994 6.395 230 5 784 3 2.98 2.7589 4.204 230 5 850 3 2.96 2.2883 4.239 230 5 1032 3 2.90 2.3296 6.415 230 5 1132 3 2.93 2.2762 6.052 230 5 1261 3 2.95 2.3705 5.779 230 5 1290 3 2.85 2.4864 5.179 230 5 1496 3 2.97 2.6113 7.386 230 5 1547 3 2.88 2.2996 6.363 230 5 10784 3 2.93 1.9843 8.474 ## Starting information for simulation # 6 230 6 10557 3 2.98 2.3028 8.508 230 6 10562 3 2.99 2.0430 6.938 230 6 10620 3 2.97 2.4726 6.918 230 6 11010 3 2.94 1.9057 7.161 ## Starting information for simulation # 7 ## Starting information for simulation # 8 230 8 146 3 2.96 2.0089 7.822 230 8 492 3 2.86 2.5543 7.877 230 8 626 3 2.98 2.3237 8.240 230 8 762 3 2.98 2.5053 8.326 230 8 871 3 2.99 2.4085 8.948 230 8 873 3 2.91 2.2016 8.592 230 8 949 3 2.89 2.2606 8.290 230 8 1074 3 2.99 2.3113 9.894 230 8 1495 3 2.99 2.4265 8.289 230 8 2172 3 2.95 2.0409 8.034 230 8 2388 3 2.93 2.6106 7.336 230 8 2525 3 2.98 2.7218 8.743 230 8 2530 3 2.99 2.0848 8.857 230 8 2589 3 2.92 2.4315 9.116 230 8 2655 3 2.99 2.1498 8.703 230 8 3080 3 2.99 2.3181 10.088 230 8 3958 3 2.97 2.5688 8.333 230 8 4028 3 2.78 2.4233 7.592 230 8 4108 3 2.96 2.1305 9.716 230 8 4570 3 2.99 1.9587 9.577 230 8 5300 3 2.87 2.1186 6.790 230 8 5384 3 2.97 2.5207 8.715 230 8 5784 3 2.89 2.5053 8.916 230 8 6018 3 2.98 2.1684 6.636 230 8 6053 3 2.94 1.8133 7.055 230 8 6303 3 2.95 2.2258 9.578 230 8 6979 3 3.00 2.4702 9.151 230 8 7384 3 2.99 1.9043 8.440 230 8 7993 3 2.99 2.1111 8.145 230 8 8181 3 2.91 2.3631 9.333 230 8 8589 3 2.90 2.3933 8.500 230 8 8822 3 2.82 2.1868 8.165 230 8 8879 3 2.98 1.9254 8.213 230 8 9354 3 2.89 1.9850 10.222 230 8 9572 3 2.97 2.0882 9.035 230 8 9850 3 2.82 2.1376 6.307 230 8 9988 3 2.98 1.7851 5.699 230 8 9995 3 2.90 2.2138 6.989 230 8 10007 3 2.97 2.2275 6.374 230 8 10538 3 2.96 2.1454 8.096 230 8 10628 3 2.91 2.3587 10.169 230 8 10951 3 2.93 2.0599 7.846 ## Starting information for simulation # 9 ## Starting information for simulation # 10 230 10 404 3 2.94 2.4229 11.123 230 10 410 3 2.82 2.4362 10.844 230 10 476 3 2.99 2.2493 10.854 230 10 479 3 2.99 2.4482 10.496 230 10 484 3 2.92 2.2850 11.029 230 10 1037 3 2.97 2.4203 6.238 230 10 1050 3 2.92 2.6689 5.643 230 10 1065 3 2.96 2.7338 5.647 230 10 1080 3 2.94 1.9565 5.595 230 10 1352 3 2.95 1.8493 8.340 230 10 1518 3 2.94 2.5640 5.133 230 10 1699 3 2.98 2.2210 5.459 230 10 1783 3 2.93 2.3911 4.753 230 10 1791 3 2.95 2.3640 5.207 230 10 2056 3 2.99 2.2793 5.075 230 10 2573 3 2.98 2.2683 6.856 230 10 2650 3 2.99 2.1999 4.902 230 10 3126 3 2.99 2.4232 4.554 230 10 3456 3 2.93 2.0163 4.063 230 10 3614 3 2.98 2.2071 9.047 230 10 3758 3 2.64 2.5755 4.141 230 10 3965 3 2.97 2.3455 4.181 230 10 4075 3 2.98 2.1006 4.183 230 10 4227 3 2.99 2.0949 4.865 230 10 4314 3 2.93 2.2986 5.034 230 10 4597 3 2.96 2.4249 7.689 230 10 5002 3 2.95 2.7009 4.185 230 10 5043 3 2.93 2.1849 4.461 230 10 5131 3 2.99 1.7735 4.039 230 10 5269 3 2.97 2.2709 4.694 230 10 5778 3 2.96 2.1137 4.166 230 10 6018 3 2.93 2.1710 4.130 230 10 6079 3 2.77 2.0549 4.610 230 10 6164 3 2.97 2.1054 4.933 230 10 6418 3 2.99 2.8446 5.276 230 10 6536 3 2.93 2.1823 4.818 230 10 6733 3 2.92 2.3946 4.858 230 10 6921 3 2.84 2.2851 4.736 230 10 7283 3 2.92 2.5905 4.985 230 10 7479 3 2.90 2.5087 4.669 230 10 7541 3 2.91 1.8630 4.503 230 10 7545 3 3.00 2.2331 4.470 230 10 7668 3 2.93 1.8889 4.498 230 10 7742 3 2.94 1.8956 4.368 230 10 7924 3 2.80 2.4691 4.831 230 10 7932 3 2.93 2.1210 4.535 230 10 8062 3 2.97 2.5486 4.366 230 10 8911 3 2.84 2.4544 11.071 230 10 9042 3 2.93 2.3863 10.105 230 10 9118 3 2.99 2.4716 11.814 230 10 9153 3 2.99 2.0978 11.230 230 10 9411 3 2.85 1.7581 8.405 230 10 9572 3 2.99 2.0324 8.409 230 10 10681 3 2.97 1.8575 9.221 ## Starting information for simulation # 11 230 11 7484 3 2.80 2.8693 14.286 230 11 7487 3 2.73 2.0124 13.443 ## Starting information for simulation # 12 230 12 1315 3 2.71 3.0100 5.463 230 12 1332 3 2.86 3.0852 4.802 230 12 1338 3 2.70 2.6922 4.909 230 12 1449 3 2.93 2.8126 5.573 230 12 8829 3 2.94 2.5740 6.845 230 12 10017 3 2.95 2.1079 7.054 230 12 10338 3 2.93 2.6143 7.917 ## Starting information for simulation # 13 230 13 1812 3 2.95 2.4185 10.432 230 13 1936 3 2.99 2.0018 9.028 230 13 2319 3 2.98 1.9496 6.941 230 13 2399 3 2.98 2.2456 6.940 230 13 2473 3 2.98 2.3447 6.743 230 13 2579 3 2.97 1.9594 6.336 230 13 2862 3 2.84 2.4433 7.004 230 13 3035 3 2.99 1.7850 6.665 230 13 3228 3 2.72 2.4566 7.314 230 13 3426 3 2.83 2.4380 8.025 230 13 3472 3 2.75 2.2269 5.548 230 13 3550 3 2.77 2.4532 5.470 230 13 4907 3 2.99 2.1753 8.184 230 13 5102 3 2.91 2.3193 8.627 230 13 5136 3 2.91 2.2630 8.696 230 13 5913 3 2.91 2.0118 8.860 230 13 6109 3 2.99 2.3099 9.124 230 13 6825 3 2.97 2.1682 6.338 230 13 6986 3 2.94 2.3051 3.786 230 13 7122 3 2.88 2.2401 4.061 230 13 7134 3 2.95 2.2756 4.326 230 13 7247 3 2.95 2.4540 4.133 230 13 7263 3 2.95 2.0110 4.286 230 13 7570 3 2.94 1.7465 6.568 230 13 7593 3 2.85 2.5901 5.717 230 13 7746 3 2.93 2.1910 11.175 230 13 8136 3 2.74 2.2401 11.523 230 13 8248 3 2.95 2.3044 9.917 230 13 8302 3 2.98 2.3909 7.809 230 13 8865 3 2.92 2.5609 8.596 230 13 9832 3 2.97 2.5320 9.564 ## Starting information for simulation # 14 230 14 6866 3 2.98 2.2361 7.168 230 14 8311 3 2.95 2.6562 10.522 230 14 9451 3 2.81 2.8766 7.647 ## Starting information for simulation # 15 ## Starting information for simulation # 16 230 16 4670 3 2.94 2.2862 5.052 ## Starting information for simulation # 17 ## Starting information for simulation # 18 230 18 3028 3 2.88 2.5881 9.890 230 18 10052 3 2.73 2.6917 10.009 230 18 10060 3 2.81 2.6084 10.448 ## Starting information for simulation # 19 ## Starting information for simulation # 20 230 20 4788 3 2.78 2.6913 11.318 230 20 4801 3 2.99 1.8835 9.973 230 20 4907 3 2.66 2.7225 10.847 230 20 5528 3 2.75 2.5964 13.076 ## Starting information for simulation # 21 230 21 4675 3 2.76 2.9164 8.703 ## Starting information for simulation # 22 230 22 9781 3 2.84 2.9096 10.581 ## Starting information for simulation # 23 230 23 1461 3 2.86 1.8386 11.068 ## Starting information for simulation # 24 230 24 4076 3 2.78 2.0644 5.898 ## Starting information for simulation # 25 ## Starting information for simulation # 26 ## Starting information for simulation # 27 230 27 1437 3 2.77 2.5467 10.611 230 27 1443 3 2.97 2.2365 10.798 230 27 1448 3 2.82 2.3449 9.715 230 27 1507 3 2.96 2.4119 9.854 230 27 1640 3 2.96 2.3581 10.644 230 27 1684 3 2.95 2.3426 9.991 230 27 1899 3 2.98 2.3287 10.871 230 27 2131 3 2.95 2.0595 10.075 230 27 2226 3 2.99 2.2847 10.252 230 27 2362 3 2.91 2.4999 10.875 230 27 2630 3 2.92 2.1947 10.151 230 27 2818 3 2.96 2.3519 10.635 230 27 3343 3 2.96 2.4007 5.982 230 27 3429 3 2.78 2.4212 5.188 230 27 3801 3 2.97 2.4757 6.609 230 27 4211 3 2.83 2.3115 4.129 230 27 4474 3 2.85 2.1866 5.608 230 27 4921 3 2.95 1.8304 4.311 230 27 5090 3 2.93 2.1987 4.336 230 27 5395 3 2.91 2.2698 4.321 230 27 5632 3 2.94 2.4315 6.473 230 27 5687 3 2.88 2.2969 4.556 230 27 5706 3 2.94 2.6391 5.605 230 27 5755 3 2.83 2.3913 4.458 230 27 5785 3 2.85 2.5299 5.384 230 27 5910 3 2.94 2.4987 4.955 230 27 5924 3 2.99 1.7553 4.516 230 27 6073 3 2.98 2.4278 4.500 230 27 6083 3 2.67 2.3833 4.636 230 27 6117 3 2.90 2.4629 4.417 230 27 6968 3 2.87 2.2175 6.708 230 27 6970 3 3.00 2.4815 5.517 230 27 6991 3 2.81 2.3881 6.371 230 27 6997 3 2.99 2.0585 6.273 230 27 7006 3 2.97 2.3668 8.761 230 27 7047 3 2.95 2.4774 6.345 230 27 7050 3 2.87 2.4969 5.731 230 27 7185 3 2.89 2.5446 5.360 230 27 7556 3 2.79 1.8728 4.684 230 27 7693 3 2.91 2.6448 4.329 230 27 7765 3 2.96 2.3887 4.180 230 27 7769 3 2.98 2.7705 4.443 230 27 7786 3 3.00 1.9800 4.532 230 27 8339 3 2.99 2.4546 4.453 230 27 8364 3 2.90 2.4632 4.145 230 27 8390 3 2.96 2.4393 4.333 230 27 9002 3 2.93 2.3505 7.048 230 27 9056 3 2.86 2.5383 7.102 230 27 9102 3 2.93 2.2056 7.218 230 27 9121 3 2.90 2.3274 7.429 230 27 9187 3 2.63 2.5573 6.859 230 27 9188 3 2.99 2.4829 6.650 230 27 9206 3 2.66 2.4662 6.890 230 27 9238 3 2.89 2.3100 6.534 230 27 9252 3 2.72 2.4426 6.749 230 27 9260 3 2.96 2.5768 6.668 230 27 9282 3 2.86 2.4275 7.131 230 27 9289 3 2.84 2.7981 6.864 230 27 9294 3 2.75 1.7796 6.901 230 27 9305 3 2.96 2.4356 6.650 230 27 9324 3 2.99 2.4581 6.627 230 27 9328 3 2.80 2.5669 6.529 230 27 9348 3 2.72 2.5553 7.105 230 27 9385 3 2.89 2.5350 7.440 230 27 9458 3 2.83 2.8658 7.910 230 27 9459 3 2.78 2.3763 7.644 230 27 9471 3 2.98 2.0060 6.746 230 27 9472 3 2.85 2.2798 6.798 230 27 9477 3 2.99 2.6526 7.327 230 27 9501 3 2.71 2.5004 6.948 230 27 9502 3 2.71 2.6690 7.218 230 27 9503 3 2.81 2.4684 6.759 230 27 9522 3 2.69 2.9569 7.016 230 27 9529 3 2.65 2.7507 6.604 230 27 9557 3 2.79 2.6123 6.482 230 27 9578 3 2.69 2.8522 6.905 230 27 9580 3 2.92 2.2634 6.626 230 27 9600 3 2.85 2.5519 7.292 230 27 9601 3 2.78 2.7434 7.698 230 27 9607 3 2.93 2.5022 6.786 230 27 9608 3 2.86 2.4816 7.128 230 27 9612 3 2.91 2.7082 6.842 230 27 9647 3 2.86 2.3514 6.808 230 27 9650 3 2.83 2.3880 7.270 230 27 9657 3 2.93 2.0315 7.407 230 27 9659 3 2.84 1.9067 6.985 230 27 9672 3 2.72 2.5941 6.814 230 27 9673 3 2.88 2.5482 6.853 230 27 9683 3 2.85 2.2666 6.894 230 27 9701 3 2.91 2.7904 6.890 230 27 9703 3 2.84 2.7401 8.086 230 27 9708 3 2.99 2.2956 7.190 230 27 9738 3 2.94 2.5923 6.793 230 27 9751 3 2.76 2.5786 7.012 230 27 9753 3 2.78 2.6578 6.808 230 27 9765 3 2.91 2.5716 6.893 230 27 9770 3 2.85 2.9685 6.497 230 27 9772 3 2.99 2.0188 6.414 230 27 9845 3 2.91 2.1860 6.738 230 27 9854 3 2.84 2.4389 6.574 230 27 9855 3 2.95 2.5078 7.288 230 27 9901 3 2.91 1.7536 7.387 230 27 9918 3 2.89 2.5793 6.769 230 27 9923 3 2.82 2.1490 6.469 230 27 9924 3 2.83 2.3644 6.588 230 27 9943 3 2.73 2.7980 7.366 230 27 9954 3 2.84 2.8565 6.885 230 27 9975 3 2.76 2.6809 6.800 230 27 9976 3 2.74 2.5607 7.172 230 27 10004 3 2.98 2.6623 6.251 230 27 10018 3 2.99 1.9275 6.617 230 27 10033 3 2.90 1.9402 7.034 230 27 10044 3 2.83 2.6768 7.300 230 27 10063 3 2.94 2.8637 6.434 230 27 10064 3 2.80 2.3234 6.798 230 27 10070 3 2.99 1.9457 6.946 230 27 10076 3 2.95 2.3124 6.987 230 27 10099 3 2.70 2.6880 6.624 230 27 10135 3 2.88 2.4375 7.303 230 27 10180 3 2.90 2.5563 6.893 230 27 10185 3 2.78 2.5880 7.064 230 27 10197 3 2.71 2.6956 6.594 230 27 10199 3 2.80 2.7857 6.097 230 27 10221 3 2.95 2.5739 7.259 230 27 10262 3 2.80 1.8575 7.326 230 27 10280 3 2.83 2.3608 6.491 230 27 10281 3 2.75 1.9125 6.766 230 27 10338 3 2.94 2.6590 7.420 230 27 10377 3 2.96 2.6322 6.625 230 27 10383 3 2.74 2.7797 7.058 230 27 10384 3 2.86 2.7514 6.942 230 27 10390 3 2.97 2.6381 7.140 230 27 10397 3 2.86 2.7849 6.503 230 27 10398 3 2.80 2.7529 6.736 230 27 10456 3 2.90 2.1468 7.218 230 27 10508 3 2.86 1.7977 7.101 230 27 10524 3 2.81 2.6503 6.165 230 27 10525 3 2.62 2.6819 7.497 230 27 10538 3 2.99 1.7496 7.296 230 27 10580 3 2.85 2.8982 6.923 230 27 10581 3 2.99 2.6125 7.590 230 27 10582 3 2.78 2.6178 7.557 230 27 10583 3 2.72 2.6146 7.435 230 27 10592 3 2.75 2.7112 6.960 230 27 10608 3 2.93 2.5669 6.387 230 27 10615 3 2.99 1.7616 7.125 230 27 10616 3 2.67 2.7412 7.199 230 27 10688 3 2.93 2.6758 7.034 230 27 10715 3 2.64 2.8064 6.734 230 27 10732 3 2.86 2.8237 6.723 230 27 10744 3 2.76 2.4923 7.562 230 27 10754 3 2.95 2.4655 7.312 230 27 10770 3 2.88 2.7345 6.674 230 27 10783 3 2.72 2.8892 6.638 230 27 10784 3 2.83 3.0150 6.897 230 27 10785 3 2.86 2.6380 6.715 ## Starting information for simulation # 28 230 28 1056 3 2.94 1.9193 10.933 230 28 7102 3 2.93 2.3474 8.426 230 28 8563 3 2.80 1.7651 6.891 ## Starting information for simulation # 29 ## Starting information for simulation # 30 230 30 379 3 2.90 2.4042 11.896 230 30 480 3 2.95 2.3942 11.099 230 30 1384 3 2.73 2.7833 5.723 230 30 1465 3 2.74 2.3702 4.833 230 30 1476 3 2.82 2.6734 6.102 230 30 1594 3 2.71 2.4291 8.924 230 30 2654 3 2.95 2.3253 12.038 230 30 2878 3 2.58 2.6114 9.088 230 30 2887 3 2.91 2.3195 9.005 230 30 2897 3 2.95 2.2863 9.517 230 30 2967 3 2.92 2.1313 11.653 230 30 2980 3 2.70 2.5629 11.281 230 30 3007 3 2.86 2.2962 10.974 230 30 3014 3 2.85 2.4605 11.192 230 30 3085 3 2.84 2.3744 10.868 230 30 3128 3 3.00 2.5298 11.318 230 30 3857 3 2.99 2.4797 12.023 230 30 4037 3 2.82 2.2152 11.117 230 30 4122 3 2.97 2.4188 11.349 230 30 4347 3 2.92 2.4374 10.881 230 30 4353 3 2.91 2.1060 11.302 230 30 4555 3 2.84 2.3946 9.992 230 30 5214 3 2.87 2.4344 6.473 230 30 5995 3 2.69 2.5158 5.280 230 30 6813 3 2.98 2.5163 7.854 230 30 6869 3 2.98 2.3706 5.206 230 30 7456 3 2.91 2.4398 5.253 230 30 7457 3 2.97 2.3227 4.968 230 30 7477 3 2.86 2.2650 4.930 ## Starting information for simulation # 31 230 31 9021 3 2.80 2.5398 6.887 ## Starting information for simulation # 32 ## Starting information for simulation # 33 230 33 1072 3 2.90 2.3874 6.710 230 33 2260 3 2.87 2.1853 5.890 230 33 9492 3 2.90 2.7313 7.269 230 33 9507 3 2.83 2.7924 9.492 ## Starting information for simulation # 34 ## Starting information for simulation # 35 230 35 2098 3 2.87 2.7282 6.674 ## Starting information for simulation # 36 230 36 1234 3 2.81 2.7115 9.669 230 36 1746 3 2.95 2.6426 8.034 230 36 2018 3 2.91 2.1982 8.560 230 36 2103 3 2.83 2.6774 6.219 230 36 2177 3 2.97 2.5007 6.174 230 36 2328 3 2.99 2.3259 7.069 230 36 2409 3 2.93 2.3927 8.157 230 36 2416 3 3.00 2.4476 8.036 230 36 2722 3 3.00 2.2311 7.043 230 36 3092 3 2.96 1.7889 5.785 230 36 3568 3 2.91 1.9802 6.736 230 36 3799 3 2.96 2.5316 7.028 230 36 3814 3 2.90 2.5930 6.889 230 36 3844 3 2.96 2.4377 7.000 230 36 4653 3 2.99 1.9026 6.730 230 36 6286 3 2.92 2.1611 7.245 230 36 7248 3 2.99 2.0617 10.605 230 36 7812 3 2.96 2.4947 10.717 230 36 8172 3 2.88 2.1364 10.781 230 36 8475 3 2.97 2.3587 11.958 230 36 9031 3 2.80 2.5635 10.101 230 36 9104 3 2.88 2.3072 10.396 230 36 9333 3 2.98 2.2576 11.166 230 36 9344 3 2.85 2.6225 10.748 230 36 9638 3 2.98 2.5325 8.252 230 36 9732 3 2.92 2.2640 6.640 230 36 10535 3 2.95 2.2938 7.630 230 36 10692 3 2.98 2.2403 6.661 ## Starting information for simulation # 37 ## Starting information for simulation # 38 230 38 905 3 2.83 2.6969 6.596 230 38 7387 3 2.93 2.9546 10.505 230 38 9135 3 2.70 2.6934 11.692 230 38 9138 3 2.76 2.8367 11.801 ## Starting information for simulation # 39 230 39 5387 3 2.72 2.8162 7.141 230 39 9127 3 2.98 1.9152 9.310 ## Starting information for simulation # 40 ## Starting information for simulation # 41 230 41 2600 3 2.78 2.8157 10.750 230 41 4306 3 2.98 2.4345 11.642 230 41 9916 3 3.00 1.8157 5.855 ## Starting information for simulation # 42 230 42 9563 3 2.91 2.7043 8.284 ## Starting information for simulation # 43 230 43 5186 3 2.75 2.6474 6.529 230 43 5335 3 2.96 1.8489 6.292 230 43 10074 3 2.67 2.9206 6.422 230 43 10075 3 2.76 3.0376 6.255 230 43 10108 3 2.79 2.0054 7.576 ## Starting information for simulation # 44 230 44 10779 3 2.72 2.8541 10.025 230 44 10800 3 2.74 2.8009 9.379 230 44 10819 3 2.89 2.7776 9.856 230 44 10832 3 2.93 2.9412 8.970 230 44 10841 3 2.91 2.4475 9.910 230 44 10873 3 2.78 2.2835 9.218 ## Starting information for simulation # 45 230 45 1767 3 2.79 2.3989 9.266 230 45 1831 3 2.85 2.5802 9.988 230 45 1853 3 2.94 2.1688 9.332 ## Starting information for simulation # 46 230 46 7217 3 2.73 2.8284 8.882 230 46 7358 3 2.80 2.3639 8.372 ## Starting information for simulation # 47 230 47 3028 3 2.95 1.8041 12.203 ## Starting information for simulation # 48 230 48 4229 3 2.98 2.7501 7.651