# Bonding information for index 253 -- THR_7@O LYS_8@HZ2 LYS_8@NZ # Index Sim # Frame Type Length Angle N-N dist ## Starting information for simulation # 1 253 1 6933 3 2.96 2.6310 10.173 253 1 6936 3 3.00 2.6319 10.869 ## Starting information for simulation # 2 253 2 5869 3 2.94 1.9762 4.441 253 2 5938 3 2.82 2.4418 6.114 253 2 5939 3 2.75 2.5452 6.370 253 2 8562 3 2.98 1.9796 10.540 ## Starting information for simulation # 3 ## Starting information for simulation # 4 253 4 1800 3 2.88 2.3065 5.349 253 4 1802 3 2.93 2.2679 4.840 ## Starting information for simulation # 5 253 5 7374 3 2.85 2.1208 11.407 253 5 7375 3 2.81 2.4064 11.314 ## Starting information for simulation # 6 253 6 1473 3 2.87 2.8752 8.458 253 6 1474 3 2.77 1.8576 8.787 253 6 1575 3 2.97 1.8374 7.986 253 6 1580 3 2.85 2.4427 8.214 253 6 4049 3 2.97 2.0416 7.184 253 6 7690 3 2.83 2.1417 6.580 ## Starting information for simulation # 7 ## Starting information for simulation # 8 253 8 5052 3 2.75 2.5615 10.454 253 8 5072 3 2.99 2.7744 10.464 253 8 5989 3 2.91 2.2444 8.245 253 8 8911 3 2.82 1.9632 8.954 ## Starting information for simulation # 9 253 9 1942 3 3.00 2.8787 6.578 253 9 1947 3 2.97 2.3218 7.012 253 9 7328 3 2.89 2.5126 7.763 253 9 7329 3 2.93 2.3268 7.953 253 9 8123 3 2.88 2.4495 7.772 253 9 8453 3 2.93 2.5052 9.713 253 9 10424 3 2.97 1.7536 9.690 253 9 10670 3 2.75 2.2870 10.455 ## Starting information for simulation # 10 253 10 2116 3 2.84 2.8472 5.948 253 10 2152 3 2.90 1.7582 5.086 253 10 4860 3 2.92 2.6944 4.136 253 10 11022 3 2.97 2.0986 6.934 ## Starting information for simulation # 11 253 11 5049 3 2.91 2.2121 7.199 253 11 6759 3 2.93 2.2108 13.987 ## Starting information for simulation # 12 ## Starting information for simulation # 13 253 13 3470 3 2.73 2.5100 6.004 253 13 8665 3 2.97 1.9187 7.403 ## Starting information for simulation # 14 253 14 6755 3 2.82 1.8260 5.819 253 14 7164 3 2.82 2.5235 6.863 253 14 7179 3 2.93 1.9551 6.342 253 14 10261 3 2.81 2.1269 10.083 253 14 10277 3 2.89 2.4178 6.919 253 14 10279 3 2.95 2.0476 8.358 253 14 10288 3 2.92 1.8237 8.412 253 14 10293 3 2.91 2.5089 8.008 253 14 10297 3 2.87 2.1872 7.042 253 14 10299 3 2.68 2.0061 7.065 253 14 10300 3 2.86 2.2574 6.323 253 14 10318 3 2.88 2.2529 8.479 253 14 10335 3 2.75 2.5430 7.182 253 14 10377 3 2.90 2.6028 6.616 253 14 10385 3 2.91 2.1531 7.923 253 14 10387 3 2.94 2.4085 7.454 253 14 10389 3 2.97 2.5240 7.691 253 14 10390 3 2.87 3.0439 8.154 253 14 10393 3 2.87 3.0734 7.880 253 14 10855 3 2.84 1.9932 7.446 253 14 10857 3 2.76 2.5406 6.967 253 14 10859 3 2.99 1.9737 6.728 253 14 10860 3 2.96 2.0192 6.221 253 14 10885 3 2.90 2.7276 6.187 253 14 10886 3 2.97 2.5255 6.243 253 14 10888 3 2.86 1.8045 6.447 ## Starting information for simulation # 15 253 15 1115 3 2.90 2.7946 9.618 ## Starting information for simulation # 16 253 16 8992 3 2.91 2.5633 8.743 ## Starting information for simulation # 17 253 17 614 3 2.78 1.9521 9.182 253 17 713 3 2.97 2.2263 9.838 ## Starting information for simulation # 18 253 18 4911 3 2.96 2.0454 6.233 253 18 4918 3 2.98 2.1620 5.881 253 18 4921 3 2.90 2.1682 6.649 253 18 5948 3 2.76 2.6389 9.107 253 18 6464 3 2.80 1.8250 10.419 253 18 7497 3 2.84 2.3313 8.479 253 18 8100 3 2.71 2.6849 9.547 ## Starting information for simulation # 19 253 19 2005 3 2.98 2.6028 11.549 ## Starting information for simulation # 20 253 20 2609 3 2.93 2.2827 6.849 253 20 3230 3 2.94 2.5205 7.166 253 20 3568 3 2.76 2.1115 6.479 ## Starting information for simulation # 21 253 21 1089 3 2.97 2.0234 8.555 253 21 7731 3 2.90 1.9606 6.726 253 21 7736 3 2.98 2.6672 6.900 253 21 7868 3 2.94 1.9190 8.688 253 21 10373 3 2.85 2.0632 7.266 253 21 10824 3 2.92 2.6470 13.068 253 21 10837 3 2.79 2.8871 11.720 ## Starting information for simulation # 22 253 22 3323 3 2.86 1.9770 8.579 253 22 3326 3 2.95 2.0516 8.183 253 22 3335 3 2.75 2.4513 8.682 253 22 4168 3 2.81 2.4903 7.756 253 22 4551 3 2.89 2.3099 7.603 253 22 4747 3 2.84 1.9081 7.378 253 22 9945 3 2.95 2.2425 11.404 ## Starting information for simulation # 23 253 23 1056 3 2.87 2.6224 9.668 253 23 1057 3 2.95 2.4360 9.377 ## Starting information for simulation # 24 ## Starting information for simulation # 25 253 25 185 3 2.99 1.8045 9.311 ## Starting information for simulation # 26 ## Starting information for simulation # 27 253 27 120 3 2.84 1.8610 7.520 253 27 121 3 2.95 2.3212 7.573 253 27 2344 3 2.98 1.7994 11.765 253 27 2566 3 2.98 2.2815 10.495 253 27 6302 3 2.67 1.8038 4.460 ## Starting information for simulation # 28 253 28 2561 3 2.94 2.3744 6.310 253 28 4063 3 2.84 1.9213 7.116 253 28 4066 3 2.75 2.2532 7.305 253 28 4170 3 2.90 2.0685 6.605 253 28 4219 3 2.99 2.1425 6.872 253 28 4236 3 2.94 2.9354 6.486 253 28 4424 3 2.83 2.4597 7.376 253 28 4661 3 2.76 2.6430 8.370 253 28 8709 3 2.96 1.9138 8.777 ## Starting information for simulation # 29 ## Starting information for simulation # 30 ## Starting information for simulation # 31 253 31 3909 3 2.84 2.0136 12.491 253 31 4325 3 2.93 1.8613 9.977 253 31 4356 3 2.82 2.4943 10.590 253 31 4359 3 2.71 2.9933 9.517 253 31 4364 3 2.90 2.3898 8.079 253 31 4365 3 2.92 2.1640 8.226 253 31 4366 3 2.83 2.9969 8.092 253 31 4396 3 2.82 2.4188 8.086 ## Starting information for simulation # 32 253 32 223 3 3.00 2.2782 8.146 253 32 224 3 2.89 1.8145 8.499 253 32 6203 3 2.61 2.1275 7.615 253 32 6204 3 2.85 1.9113 7.614 253 32 7805 3 2.85 2.3935 8.117 ## Starting information for simulation # 33 253 33 4112 3 2.78 1.9510 8.750 253 33 4564 3 2.93 2.4646 9.857 253 33 5469 3 2.91 2.4311 6.926 ## Starting information for simulation # 34 253 34 10324 3 2.89 1.9192 9.385 ## Starting information for simulation # 35 253 35 1220 3 2.85 1.9146 6.284 253 35 2172 3 2.93 1.7463 6.614 253 35 2175 3 2.78 2.8275 6.920 253 35 5326 3 2.68 2.1839 6.570 253 35 5376 3 2.87 1.9889 6.925 253 35 7156 3 2.92 2.1269 7.126 253 35 9615 3 2.86 1.9631 7.222 253 35 10783 3 2.95 1.7788 6.149 253 35 10794 3 2.96 2.0654 6.151 253 35 11006 3 2.90 2.5129 6.392 ## Starting information for simulation # 36 253 36 2515 3 2.72 2.1023 7.312 253 36 3960 3 2.70 1.8299 6.777 ## Starting information for simulation # 37 ## Starting information for simulation # 38 253 38 1687 3 2.79 2.3456 6.220 ## Starting information for simulation # 39 253 39 4819 3 2.96 2.0024 8.593 ## Starting information for simulation # 40 253 40 225 3 2.87 2.6407 12.258 253 40 1305 3 2.81 2.8802 6.665 253 40 1881 3 2.86 2.0201 8.717 253 40 1888 3 2.91 1.9698 8.873 253 40 1895 3 2.72 2.1660 9.104 253 40 1920 3 2.83 2.4408 8.589 253 40 2637 3 2.91 1.9179 6.525 253 40 2962 3 2.80 2.9287 6.371 253 40 2968 3 2.99 1.9117 6.297 253 40 2986 3 2.90 2.2083 7.017 253 40 3701 3 2.85 2.7694 6.507 253 40 3977 3 2.80 2.5711 7.178 253 40 4982 3 2.92 2.5066 8.273 ## Starting information for simulation # 41 253 41 2630 3 2.97 1.7997 8.423 253 41 6264 3 2.77 2.1484 8.558 253 41 10086 3 2.96 1.9829 9.424 ## Starting information for simulation # 42 253 42 8913 3 2.96 1.8933 7.517 253 42 10475 3 2.94 1.9632 7.881 ## Starting information for simulation # 43 253 43 8799 3 2.97 2.1625 9.666 253 43 8802 3 2.88 2.6419 9.439 253 43 8806 3 2.91 2.0173 9.606 ## Starting information for simulation # 44 253 44 1644 3 2.68 2.5655 9.248 253 44 1651 3 2.92 2.0899 9.241 253 44 1666 3 2.90 2.4168 8.885 253 44 1803 3 2.92 2.3431 9.661 253 44 7998 3 2.80 2.4923 10.433 ## Starting information for simulation # 45 253 45 8865 3 2.90 1.8023 10.372 ## Starting information for simulation # 46 253 46 2260 3 2.92 2.2430 12.186 ## Starting information for simulation # 47 253 47 4890 3 2.83 2.2524 7.947 253 47 4891 3 2.86 2.7071 8.230 253 47 4901 3 2.76 2.7072 7.958 ## Starting information for simulation # 48 253 48 2417 3 2.87 2.4219 9.494 253 48 4073 3 2.96 1.9001 8.976