# Bonding information for index 254 -- THR_7@O LYS_8@HZ3 LYS_8@NZ # Index Sim # Frame Type Length Angle N-N dist ## Starting information for simulation # 1 254 1 1319 3 2.93 2.2500 8.391 254 1 1333 3 2.71 2.7882 8.564 254 1 2666 3 2.83 2.0498 9.105 254 1 3491 3 2.90 2.1253 8.099 ## Starting information for simulation # 2 254 2 5867 3 2.68 2.7408 4.880 254 2 5868 3 2.72 3.0702 4.655 254 2 5950 3 2.98 2.6847 6.991 254 2 6501 3 2.77 2.4839 5.451 254 2 6506 3 2.80 2.4620 4.912 254 2 6518 3 2.77 1.9257 4.598 ## Starting information for simulation # 3 254 3 2032 3 2.84 2.3574 9.372 ## Starting information for simulation # 4 254 4 1806 3 2.93 2.0861 4.925 ## Starting information for simulation # 5 254 5 7379 3 2.91 1.8206 11.498 ## Starting information for simulation # 6 254 6 1475 3 2.81 2.8696 8.083 254 6 1575 3 2.97 1.7734 7.986 254 6 7688 3 2.92 2.2531 6.781 ## Starting information for simulation # 7 ## Starting information for simulation # 8 254 8 708 3 2.89 2.6802 8.568 254 8 2262 3 2.97 1.8158 8.987 254 8 2263 3 2.87 2.8250 8.530 254 8 2264 3 2.76 2.7354 7.628 254 8 2267 3 2.91 2.9734 7.504 254 8 2576 3 2.83 2.8372 8.773 254 8 6013 3 2.83 2.8637 8.213 254 8 6014 3 2.81 2.3266 7.471 254 8 6397 3 2.88 2.6420 8.849 254 8 8591 3 2.90 2.4035 9.073 ## Starting information for simulation # 9 254 9 1939 3 2.98 2.5298 7.068 254 9 1946 3 2.85 2.7191 7.227 254 9 6218 3 2.87 2.9301 6.976 254 9 8113 3 2.93 2.9926 8.117 254 9 10416 3 2.87 2.2731 9.384 ## Starting information for simulation # 10 254 10 422 3 2.79 2.8618 11.032 254 10 1323 3 2.98 1.9747 6.167 254 10 3887 3 2.95 1.9136 4.315 254 10 4466 3 2.90 1.7807 5.407 254 10 8169 3 2.83 2.7343 4.235 254 10 8449 3 2.97 2.3987 4.062 254 10 8614 3 2.96 2.1370 5.174 ## Starting information for simulation # 11 254 11 4191 3 2.90 2.8666 8.830 ## Starting information for simulation # 12 ## Starting information for simulation # 13 254 13 4922 3 2.85 1.9968 8.154 254 13 4924 3 2.78 2.7748 8.130 ## Starting information for simulation # 14 254 14 7179 3 2.93 1.7673 6.342 254 14 7633 3 2.81 2.3075 7.196 254 14 10267 3 2.86 2.4287 8.962 254 14 10271 3 2.80 2.0477 7.695 254 14 10281 3 2.82 2.3800 7.872 254 14 10307 3 2.88 2.6516 7.408 254 14 10333 3 2.69 2.0133 6.993 254 14 10334 3 2.97 1.8051 7.504 254 14 10344 3 2.77 3.0086 7.885 254 14 10353 3 2.82 2.1077 7.172 254 14 10358 3 2.87 1.7594 8.256 254 14 10364 3 2.88 2.5875 6.960 254 14 10367 3 2.71 2.8151 7.028 254 14 10867 3 2.91 2.2383 7.146 254 14 10869 3 2.61 2.6326 7.170 254 14 10870 3 2.96 2.1904 6.872 254 14 10871 3 2.81 2.3220 6.355 254 14 10878 3 2.90 2.2345 6.647 254 14 10879 3 2.70 2.1681 6.932 254 14 10880 3 2.83 2.4183 6.614 254 14 10884 3 2.86 2.0564 6.469 254 14 10890 3 2.81 3.0885 6.989 ## Starting information for simulation # 15 ## Starting information for simulation # 16 254 16 6824 3 2.98 2.1906 7.553 254 16 8129 3 2.75 2.5913 7.326 254 16 10484 3 2.93 1.7603 8.545 ## Starting information for simulation # 17 254 17 614 3 2.78 1.7943 9.182 254 17 665 3 2.74 2.1426 8.376 254 17 712 3 2.83 2.6076 9.361 ## Starting information for simulation # 18 254 18 3775 3 2.93 2.5919 9.982 254 18 7914 3 2.95 2.0301 9.286 254 18 7961 3 2.87 1.8945 10.017 ## Starting information for simulation # 19 ## Starting information for simulation # 20 254 20 2421 3 2.98 2.5956 7.112 254 20 2511 3 2.96 2.4921 7.164 254 20 2670 3 2.90 2.2675 6.647 254 20 2689 3 2.96 2.1710 7.265 254 20 2693 3 2.91 2.9347 7.316 254 20 2892 3 2.83 2.3644 7.037 254 20 3018 3 2.86 2.8982 6.941 254 20 7043 3 2.85 2.7979 6.179 254 20 8803 3 2.76 1.9982 4.647 ## Starting information for simulation # 21 254 21 7729 3 2.91 2.4467 6.653 254 21 7730 3 2.99 2.2225 6.756 254 21 7837 3 2.77 2.0258 6.504 254 21 7944 3 2.93 3.0678 6.524 254 21 10836 3 2.73 2.1008 11.742 254 21 10918 3 2.84 2.3902 11.135 ## Starting information for simulation # 22 254 22 311 3 2.86 2.6277 8.773 254 22 3336 3 2.82 2.9387 8.722 ## Starting information for simulation # 23 254 23 1058 3 2.92 2.5286 10.201 254 23 1059 3 2.81 2.8246 10.379 254 23 8773 3 2.96 1.9899 7.731 ## Starting information for simulation # 24 ## Starting information for simulation # 25 254 25 185 3 2.99 1.8497 9.311 254 25 3860 3 2.74 2.5522 8.676 ## Starting information for simulation # 26 ## Starting information for simulation # 27 254 27 128 3 2.99 2.4559 7.689 254 27 2172 3 2.66 2.4625 10.496 254 27 2344 3 2.98 1.8234 11.765 254 27 2351 3 2.81 2.6415 11.299 ## Starting information for simulation # 28 254 28 4018 3 2.82 2.4164 7.024 254 28 4040 3 2.84 2.1150 7.734 254 28 4242 3 2.77 1.8745 6.436 254 28 4243 3 2.71 2.1770 6.252 254 28 4244 3 2.83 2.6171 6.924 254 28 4425 3 2.91 1.8177 7.266 254 28 5465 3 2.81 1.7734 7.752 254 28 8235 3 2.97 2.8929 12.775 254 28 8722 3 2.73 2.3646 8.767 ## Starting information for simulation # 29 ## Starting information for simulation # 30 254 30 5579 3 2.68 2.2785 8.855 254 30 5580 3 2.75 2.9264 7.280 254 30 5586 3 2.96 2.1825 9.057 ## Starting information for simulation # 31 254 31 3812 3 2.95 2.1141 11.777 254 31 3904 3 2.93 1.9676 11.968 254 31 3911 3 2.82 3.0198 11.258 254 31 4041 3 2.73 2.4616 11.195 254 31 4325 3 2.93 1.8545 9.977 254 31 4353 3 2.89 2.6218 10.691 254 31 4354 3 2.84 2.4647 10.722 254 31 8949 3 2.94 2.3896 8.868 ## Starting information for simulation # 32 254 32 4276 3 2.98 2.2511 8.859 254 32 6202 3 2.67 2.2436 7.618 254 32 6204 3 2.85 1.8622 7.614 ## Starting information for simulation # 33 254 33 1762 3 2.88 2.0817 9.002 254 33 4111 3 2.76 2.0624 8.744 254 33 4112 3 2.78 1.7498 8.750 254 33 6668 3 2.98 2.1039 11.033 254 33 9054 3 2.98 2.3562 9.863 ## Starting information for simulation # 34 254 34 474 3 2.78 2.2898 10.765 254 34 2024 3 2.96 2.0317 6.431 254 34 2122 3 2.94 2.0797 8.774 254 34 2131 3 2.99 2.9453 9.125 ## Starting information for simulation # 35 254 35 1576 3 2.81 2.5620 6.331 254 35 1581 3 2.93 2.6194 6.415 254 35 5284 3 2.99 2.1281 7.344 254 35 5287 3 2.77 3.0588 6.961 254 35 5376 3 2.87 1.7597 6.925 254 35 6554 3 2.91 2.7577 8.024 254 35 10783 3 2.95 1.8000 6.149 254 35 10789 3 2.87 2.5298 5.863 254 35 10801 3 2.86 2.2370 6.459 254 35 10999 3 2.89 2.5910 6.663 ## Starting information for simulation # 36 254 36 3960 3 2.70 1.8526 6.777 254 36 3962 3 2.82 2.2275 7.513 254 36 3963 3 2.84 2.4264 7.395 254 36 4915 3 3.00 2.2551 7.557 254 36 4916 3 2.87 2.2173 6.727 254 36 6940 3 2.84 2.7300 11.268 254 36 6948 3 2.74 1.8497 11.369 254 36 10098 3 2.95 2.9715 7.492 ## Starting information for simulation # 37 254 37 2669 3 2.78 2.3890 9.281 254 37 2992 3 2.86 2.1097 9.623 254 37 4221 3 2.97 3.0360 7.964 254 37 9098 3 2.91 1.7546 9.568 ## Starting information for simulation # 38 254 38 1689 3 2.93 2.3919 6.660 ## Starting information for simulation # 39 ## Starting information for simulation # 40 254 40 178 3 2.88 2.4091 12.511 254 40 348 3 2.97 2.2195 12.352 254 40 1301 3 2.68 1.8366 6.455 254 40 1868 3 2.96 1.7792 8.491 254 40 1886 3 2.99 2.0029 8.813 254 40 1922 3 2.64 2.3556 7.888 254 40 2957 3 2.96 2.1774 6.931 254 40 2958 3 2.84 2.3089 6.756 254 40 2960 3 2.75 2.5562 6.846 254 40 2983 3 2.75 1.9924 8.137 254 40 4479 3 2.79 2.1786 8.447 254 40 6568 3 2.64 1.8044 6.288 254 40 6569 3 2.78 2.9569 6.003 254 40 6660 3 2.98 2.2024 7.299 254 40 7295 3 2.93 2.6119 5.963 ## Starting information for simulation # 41 254 41 2635 3 2.99 2.8931 7.271 254 41 10085 3 2.71 2.7844 10.107 ## Starting information for simulation # 42 254 42 289 3 2.93 2.0954 9.900 254 42 290 3 2.93 2.2525 10.719 ## Starting information for simulation # 43 254 43 8690 3 2.98 2.4603 9.386 254 43 8805 3 2.86 2.1635 10.255 254 43 8807 3 2.86 2.0417 9.984 ## Starting information for simulation # 44 254 44 1642 3 2.84 2.2259 9.660 254 44 1643 3 2.77 2.4464 10.238 254 44 1655 3 2.86 2.2705 8.991 254 44 1661 3 2.91 2.6282 9.107 254 44 1668 3 2.71 2.5018 9.184 ## Starting information for simulation # 45 254 45 8865 3 2.90 1.7804 10.372 ## Starting information for simulation # 46 254 46 2174 3 2.92 2.6564 9.303 254 46 2242 3 2.94 2.4782 12.954 254 46 2259 3 2.95 2.2967 12.344 254 46 2278 3 2.82 1.9762 12.505 254 46 3425 3 2.96 1.9022 12.690 254 46 4434 3 2.93 2.8028 11.408 ## Starting information for simulation # 47 254 47 4652 3 2.67 2.7674 9.507 254 47 4904 3 2.92 2.4197 7.841 254 47 5022 3 2.84 2.3177 7.076 ## Starting information for simulation # 48 254 48 1319 3 2.93 2.2500 8.391 254 48 5706 3 2.97 2.1745 9.660