# Starting H-Bond vs N-N length analysis for these values: # bond file = "UNIQUE_HBONDS.txt" # PREFIX = "LENGTH_DETAILS" # number_sims = 48 # logfile = "LENGTH_DETAILS_logfile.txt" (this file) # # number H-Bonds to consider = 266 # # HBond types are as follows: # 0 Glycan to its nearest amino acid # 1 Glycan to another Glycan # 2 Glycan to some other amino acid # 3 Amino acid to another amino acid # 4 Glycan to itself # 5 Amino acid to itself # # #======================= Per HBond statistics ===================== # # Total number of trajectory frames scanned: 520407 #Index Type Acceptor Hydrogen Donor Frames Fraction Avg N-N 1 3 ACE_1@O LYS_8@H LYS_8@N 1116 0.002 6.816 2 3 ACE_1@O LYS_8@HZ1 LYS_8@NZ 1865 0.004 7.560 3 3 ACE_1@O LYS_8@HZ2 LYS_8@NZ 1763 0.003 7.577 4 3 ACE_1@O LYS_8@HZ3 LYS_8@NZ 1887 0.004 7.575 5 3 ACE_1@O LYS_9@H LYS_9@N 107 0.000 6.487 6 3 ACE_1@O LYS_9@HZ1 LYS_9@NZ 894 0.002 6.543 7 3 ACE_1@O LYS_9@HZ2 LYS_9@NZ 827 0.002 6.761 8 3 ACE_1@O LYS_9@HZ3 LYS_9@NZ 796 0.002 6.785 9 3 ACE_1@O NHE_11@HN1 NHE_11@N 1296 0.002 5.505 10 3 ACE_1@O NHE_11@HN2 NHE_11@N 243 0.000 6.076 11 3 ACE_1@O THR_4@HG1 THR_4@OG1 17148 0.033 8.525 12 3 ACE_1@O THR_4@H THR_4@N 32648 0.063 8.586 13 3 ACE_1@O THR_5@HG1 THR_5@OG1 3567 0.007 8.203 14 3 ACE_1@O THR_5@H THR_5@N 10159 0.020 8.552 15 3 ACE_1@O THR_6@HG1 THR_6@OG1 3984 0.008 7.473 16 3 ACE_1@O THR_6@H THR_6@N 1318 0.003 9.317 17 3 ACE_1@O THR_7@HG1 THR_7@OG1 568 0.001 7.331 18 3 ACE_1@O THR_7@H THR_7@N 203 0.000 7.083 19 3 LYS_8@N LYS_9@H LYS_9@N 124337 0.239 8.103 20 3 LYS_8@N THR_4@HG1 THR_4@OG1 34 0.000 5.397 21 3 LYS_8@N THR_5@HG1 THR_5@OG1 1 0.000 7.600 22 3 LYS_8@N THR_6@HG1 THR_6@OG1 1 0.000 5.715 23 3 LYS_8@N THR_7@HG1 THR_7@OG1 20 0.000 7.812 24 3 LYS_8@N THR_7@H THR_7@N 757 0.001 6.951 25 3 LYS_8@NZ THR_4@HG1 THR_4@OG1 4 0.000 6.668 26 3 LYS_8@NZ THR_5@HG1 THR_5@OG1 2 0.000 7.924 27 3 LYS_8@NZ THR_6@HG1 THR_6@OG1 5 0.000 7.748 28 3 LYS_8@NZ THR_7@HG1 THR_7@OG1 8 0.000 8.116 29 5 LYS_8@O LYS_8@H LYS_8@N 14293 0.027 8.698 30 5 LYS_8@O LYS_8@HZ1 LYS_8@NZ 86 0.000 8.482 31 5 LYS_8@O LYS_8@HZ2 LYS_8@NZ 99 0.000 8.348 32 5 LYS_8@O LYS_8@HZ3 LYS_8@NZ 140 0.000 8.137 33 3 LYS_8@O LYS_9@HZ1 LYS_9@NZ 42 0.000 8.349 34 3 LYS_8@O LYS_9@HZ2 LYS_9@NZ 49 0.000 8.818 35 3 LYS_8@O LYS_9@HZ3 LYS_9@NZ 54 0.000 8.459 36 3 LYS_8@O NHE_11@HN1 NHE_11@N 3490 0.007 8.689 37 3 LYS_8@O THR_4@HG1 THR_4@OG1 2805 0.005 5.911 38 3 LYS_8@O THR_4@H THR_4@N 4936 0.009 4.329 39 3 LYS_8@O THR_5@HG1 THR_5@OG1 156 0.000 9.536 40 3 LYS_8@O THR_5@H THR_5@N 164 0.000 7.012 41 3 LYS_8@O THR_6@HG1 THR_6@OG1 1060 0.002 9.376 42 3 LYS_8@O THR_7@HG1 THR_7@OG1 203 0.000 9.962 43 3 LYS_9@N LYS_8@H LYS_8@N 1112 0.002 8.870 44 3 LYS_9@N THR_6@HG1 THR_6@OG1 15 0.000 8.071 45 3 LYS_9@N THR_7@HG1 THR_7@OG1 1 0.000 5.031 46 3 LYS_9@NZ THR_5@HG1 THR_5@OG1 3 0.000 8.783 47 3 LYS_9@NZ THR_7@HG1 THR_7@OG1 2 0.000 7.811 48 3 LYS_9@O LYS_8@HZ1 LYS_8@NZ 5159 0.010 7.955 49 3 LYS_9@O LYS_8@HZ2 LYS_8@NZ 5379 0.010 8.011 50 3 LYS_9@O LYS_8@HZ3 LYS_8@NZ 5453 0.010 8.037 51 5 LYS_9@O LYS_9@H LYS_9@N 12935 0.025 8.202 52 5 LYS_9@O LYS_9@HZ1 LYS_9@NZ 121 0.000 8.187 53 5 LYS_9@O LYS_9@HZ2 LYS_9@NZ 97 0.000 8.696 54 5 LYS_9@O LYS_9@HZ3 LYS_9@NZ 99 0.000 8.253 55 3 LYS_9@O NHE_11@HN1 NHE_11@N 2343 0.005 8.244 56 3 LYS_9@O THR_4@HG1 THR_4@OG1 1318 0.003 6.699 57 3 LYS_9@O THR_4@H THR_4@N 826 0.002 4.993 58 3 LYS_9@O THR_5@HG1 THR_5@OG1 332 0.001 10.198 59 3 LYS_9@O THR_5@H THR_5@N 8 0.000 7.847 60 3 LYS_9@O THR_6@HG1 THR_6@OG1 972 0.002 8.278 61 3 LYS_9@O THR_6@H THR_6@N 89 0.000 10.547 62 3 LYS_9@O THR_7@HG1 THR_7@OG1 999 0.002 8.708 63 3 LYS_9@O THR_7@H THR_7@N 11 0.000 10.435 64 3 NHE_11@N THR_4@HG1 THR_4@OG1 4 0.000 7.846 65 3 NHE_11@N THR_6@HG1 THR_6@OG1 1 0.000 10.341 66 3 PRO_10@N LYS_9@H LYS_9@N 19 0.000 9.547 67 3 PRO_10@N NHE_11@HN1 NHE_11@N 13461 0.026 8.464 68 3 PRO_10@N THR_7@HG1 THR_7@OG1 1 0.000 10.671 69 3 PRO_10@O LYS_8@HZ1 LYS_8@NZ 2401 0.005 8.664 70 3 PRO_10@O LYS_8@HZ2 LYS_8@NZ 2519 0.005 8.520 71 3 PRO_10@O LYS_8@HZ3 LYS_8@NZ 2295 0.004 8.894 72 3 PRO_10@O LYS_9@HZ1 LYS_9@NZ 4718 0.009 8.251 73 3 PRO_10@O LYS_9@HZ2 LYS_9@NZ 4735 0.009 8.245 74 3 PRO_10@O LYS_9@HZ3 LYS_9@NZ 4769 0.009 8.289 75 3 PRO_10@O THR_4@HG1 THR_4@OG1 653 0.001 8.234 76 3 PRO_10@O THR_4@H THR_4@N 60 0.000 6.155 77 3 PRO_10@O THR_5@HG1 THR_5@OG1 14 0.000 10.302 78 3 PRO_10@O THR_6@HG1 THR_6@OG1 199 0.000 7.516 79 3 PRO_10@O THR_7@HG1 THR_7@OG1 64 0.000 9.356 80 3 PRO_2@N THR_5@HG1 THR_5@OG1 6 0.000 10.197 81 3 PRO_2@N THR_6@HG1 THR_6@OG1 8 0.000 7.194 82 3 PRO_2@O LYS_8@H LYS_8@N 38 0.000 6.217 83 3 PRO_2@O LYS_8@HZ1 LYS_8@NZ 1186 0.002 7.850 84 3 PRO_2@O LYS_8@HZ2 LYS_8@NZ 1135 0.002 7.872 85 3 PRO_2@O LYS_8@HZ3 LYS_8@NZ 1182 0.002 7.844 86 3 PRO_2@O LYS_9@H LYS_9@N 1 0.000 6.656 87 3 PRO_2@O LYS_9@HZ1 LYS_9@NZ 382 0.001 8.189 88 3 PRO_2@O LYS_9@HZ2 LYS_9@NZ 380 0.001 8.231 89 3 PRO_2@O LYS_9@HZ3 LYS_9@NZ 378 0.001 8.242 90 3 PRO_2@O NHE_11@HN1 NHE_11@N 611 0.001 6.263 91 3 PRO_2@O NHE_11@HN2 NHE_11@N 314 0.001 5.428 92 3 PRO_2@O THR_4@HG1 THR_4@OG1 1211 0.002 10.423 93 3 PRO_2@O THR_4@H THR_4@N 13255 0.025 8.282 94 3 PRO_2@O THR_5@HG1 THR_5@OG1 18653 0.036 8.651 95 3 PRO_2@O THR_5@H THR_5@N 24548 0.047 8.619 96 3 PRO_2@O THR_6@HG1 THR_6@OG1 5002 0.010 7.344 97 3 PRO_2@O THR_6@H THR_6@N 15703 0.030 7.838 98 3 PRO_2@O THR_7@HG1 THR_7@OG1 4187 0.008 6.109 99 3 PRO_2@O THR_7@H THR_7@N 1906 0.004 5.981 100 3 PRO_3@N NHE_11@HN2 NHE_11@N 1 0.000 6.017 101 3 PRO_3@N THR_4@H THR_4@N 90963 0.175 8.730 102 3 PRO_3@N THR_6@HG1 THR_6@OG1 1 0.000 10.507 103 3 PRO_3@O LYS_8@H LYS_8@N 1214 0.002 4.764 104 3 PRO_3@O LYS_8@HZ1 LYS_8@NZ 2392 0.005 7.754 105 3 PRO_3@O LYS_8@HZ2 LYS_8@NZ 2450 0.005 7.808 106 3 PRO_3@O LYS_8@HZ3 LYS_8@NZ 2439 0.005 7.816 107 3 PRO_3@O LYS_9@H LYS_9@N 707 0.001 4.826 108 3 PRO_3@O LYS_9@HZ1 LYS_9@NZ 507 0.001 8.332 109 3 PRO_3@O LYS_9@HZ2 LYS_9@NZ 461 0.001 8.379 110 3 PRO_3@O LYS_9@HZ3 LYS_9@NZ 499 0.001 8.348 111 3 PRO_3@O NHE_11@HN1 NHE_11@N 91 0.000 8.811 112 3 PRO_3@O NHE_11@HN2 NHE_11@N 211 0.000 8.588 113 3 PRO_3@O THR_4@HG1 THR_4@OG1 2208 0.004 9.273 114 3 PRO_3@O THR_5@HG1 THR_5@OG1 3388 0.007 9.571 115 3 PRO_3@O THR_5@H THR_5@N 40203 0.077 8.813 116 3 PRO_3@O THR_6@HG1 THR_6@OG1 28690 0.055 8.381 117 3 PRO_3@O THR_6@H THR_6@N 35261 0.068 7.720 118 3 PRO_3@O THR_7@HG1 THR_7@OG1 5070 0.010 6.722 119 3 PRO_3@O THR_7@H THR_7@N 15944 0.031 6.886 120 3 THR_4@N NHE_11@HN2 NHE_11@N 1 0.000 9.139 121 5 THR_4@N THR_4@HG1 THR_4@OG1 6297 0.012 9.210 122 3 THR_4@N THR_5@H THR_5@N 214250 0.412 8.752 123 3 THR_4@N THR_7@HG1 THR_7@OG1 64 0.000 6.434 124 3 THR_4@OG1 LYS_8@H LYS_8@N 2829 0.005 4.658 125 3 THR_4@OG1 LYS_8@HZ1 LYS_8@NZ 970 0.002 7.975 126 3 THR_4@OG1 LYS_8@HZ2 LYS_8@NZ 961 0.002 7.827 127 3 THR_4@OG1 LYS_8@HZ3 LYS_8@NZ 864 0.002 7.986 128 3 THR_4@OG1 LYS_9@H LYS_9@N 252 0.000 4.935 129 3 THR_4@OG1 LYS_9@HZ1 LYS_9@NZ 508 0.001 8.107 130 3 THR_4@OG1 LYS_9@HZ2 LYS_9@NZ 464 0.001 7.961 131 3 THR_4@OG1 LYS_9@HZ3 LYS_9@NZ 484 0.001 8.041 132 3 THR_4@OG1 NHE_11@HN1 NHE_11@N 63 0.000 7.658 133 3 THR_4@OG1 NHE_11@HN2 NHE_11@N 28 0.000 9.708 134 5 THR_4@OG1 THR_4@H THR_4@N 74864 0.144 8.462 135 3 THR_4@OG1 THR_5@HG1 THR_5@OG1 428 0.001 9.820 136 3 THR_4@OG1 THR_5@H THR_5@N 17107 0.033 8.344 137 3 THR_4@OG1 THR_6@HG1 THR_6@OG1 1144 0.002 8.312 138 3 THR_4@OG1 THR_6@H THR_6@N 9379 0.018 5.271 139 3 THR_4@OG1 THR_7@HG1 THR_7@OG1 3232 0.006 5.699 140 3 THR_4@OG1 THR_7@H THR_7@N 6587 0.013 5.251 141 3 THR_4@O LYS_8@H LYS_8@N 36807 0.071 5.296 142 3 THR_4@O LYS_8@HZ1 LYS_8@NZ 2122 0.004 7.933 143 3 THR_4@O LYS_8@HZ2 LYS_8@NZ 2025 0.004 7.921 144 3 THR_4@O LYS_8@HZ3 LYS_8@NZ 2020 0.004 7.976 145 3 THR_4@O LYS_9@H LYS_9@N 544 0.001 5.993 146 3 THR_4@O LYS_9@HZ1 LYS_9@NZ 1749 0.003 8.688 147 3 THR_4@O LYS_9@HZ2 LYS_9@NZ 1598 0.003 8.657 148 3 THR_4@O LYS_9@HZ3 LYS_9@NZ 1797 0.003 8.655 149 3 THR_4@O NHE_11@HN1 NHE_11@N 15 0.000 8.534 150 3 THR_4@O NHE_11@HN2 NHE_11@N 23 0.000 9.855 151 5 THR_4@O THR_4@HG1 THR_4@OG1 3155 0.006 9.148 152 5 THR_4@O THR_4@H THR_4@N 7493 0.014 8.069 153 3 THR_4@O THR_5@HG1 THR_5@OG1 1017 0.002 9.011 154 3 THR_4@O THR_6@HG1 THR_6@OG1 1542 0.003 10.465 155 3 THR_4@O THR_6@H THR_6@N 25950 0.050 8.564 156 3 THR_4@O THR_7@HG1 THR_7@OG1 11960 0.023 7.934 157 3 THR_4@O THR_7@H THR_7@N 47892 0.092 5.985 158 3 THR_5@N THR_4@HG1 THR_4@OG1 45 0.000 8.114 159 3 THR_5@N THR_4@H THR_4@N 489 0.001 8.815 160 5 THR_5@N THR_5@HG1 THR_5@OG1 9230 0.018 8.861 161 3 THR_5@N THR_6@H THR_6@N 244257 0.469 7.953 162 3 THR_5@OG1 LYS_8@H LYS_8@N 1713 0.003 7.049 163 3 THR_5@OG1 LYS_8@HZ1 LYS_8@NZ 642 0.001 8.099 164 3 THR_5@OG1 LYS_8@HZ2 LYS_8@NZ 677 0.001 8.218 165 3 THR_5@OG1 LYS_8@HZ3 LYS_8@NZ 638 0.001 8.090 166 3 THR_5@OG1 LYS_9@H LYS_9@N 1 0.000 8.161 167 3 THR_5@OG1 LYS_9@HZ1 LYS_9@NZ 575 0.001 9.604 168 3 THR_5@OG1 LYS_9@HZ2 LYS_9@NZ 604 0.001 9.753 169 3 THR_5@OG1 LYS_9@HZ3 LYS_9@NZ 534 0.001 9.793 170 3 THR_5@OG1 NHE_11@HN1 NHE_11@N 17 0.000 9.983 171 3 THR_5@OG1 NHE_11@HN2 NHE_11@N 7 0.000 9.561 172 3 THR_5@OG1 THR_4@HG1 THR_4@OG1 250 0.000 10.035 173 5 THR_5@OG1 THR_5@H THR_5@N 88889 0.171 7.559 174 3 THR_5@OG1 THR_6@HG1 THR_6@OG1 816 0.002 6.949 175 3 THR_5@OG1 THR_6@H THR_6@N 24102 0.046 9.082 176 3 THR_5@OG1 THR_7@HG1 THR_7@OG1 1118 0.002 9.254 177 3 THR_5@OG1 THR_7@H THR_7@N 2408 0.005 9.083 178 3 THR_5@O LYS_8@H LYS_8@N 27066 0.052 7.664 179 3 THR_5@O LYS_8@HZ1 LYS_8@NZ 4150 0.008 7.132 180 3 THR_5@O LYS_8@HZ2 LYS_8@NZ 4302 0.008 7.099 181 3 THR_5@O LYS_8@HZ3 LYS_8@NZ 4070 0.008 7.156 182 3 THR_5@O LYS_9@H LYS_9@N 21692 0.042 7.413 183 3 THR_5@O LYS_9@HZ1 LYS_9@NZ 1004 0.002 8.762 184 3 THR_5@O LYS_9@HZ2 LYS_9@NZ 981 0.002 8.735 185 3 THR_5@O LYS_9@HZ3 LYS_9@NZ 1006 0.002 8.777 186 3 THR_5@O NHE_11@HN1 NHE_11@N 4 0.000 8.837 187 3 THR_5@O NHE_11@HN2 NHE_11@N 13 0.000 7.333 188 3 THR_5@O THR_4@HG1 THR_4@OG1 100 0.000 9.495 189 5 THR_5@O THR_5@HG1 THR_5@OG1 2234 0.004 9.281 190 5 THR_5@O THR_5@H THR_5@N 9781 0.019 9.771 191 3 THR_5@O THR_6@HG1 THR_6@OG1 1412 0.003 9.004 192 3 THR_5@O THR_7@HG1 THR_7@OG1 1348 0.003 8.965 193 3 THR_5@O THR_7@H THR_7@N 28370 0.055 9.192 194 3 THR_6@N THR_4@HG1 THR_4@OG1 1 0.000 4.237 195 3 THR_6@N THR_5@HG1 THR_5@OG1 73 0.000 6.918 196 3 THR_6@N THR_5@H THR_5@N 704 0.001 8.818 197 5 THR_6@N THR_6@HG1 THR_6@OG1 10719 0.021 8.303 198 3 THR_6@N THR_7@H THR_7@N 278303 0.535 7.882 199 3 THR_6@OG1 LYS_8@H LYS_8@N 1621 0.003 9.121 200 3 THR_6@OG1 LYS_8@HZ1 LYS_8@NZ 635 0.001 8.673 201 3 THR_6@OG1 LYS_8@HZ2 LYS_8@NZ 597 0.001 8.828 202 3 THR_6@OG1 LYS_8@HZ3 LYS_8@NZ 666 0.001 8.964 203 3 THR_6@OG1 LYS_9@H LYS_9@N 739 0.001 10.106 204 3 THR_6@OG1 LYS_9@HZ1 LYS_9@NZ 259 0.000 8.786 205 3 THR_6@OG1 LYS_9@HZ2 LYS_9@NZ 271 0.001 8.843 206 3 THR_6@OG1 LYS_9@HZ3 LYS_9@NZ 259 0.000 9.076 207 3 THR_6@OG1 NHE_11@HN1 NHE_11@N 4 0.000 8.362 208 3 THR_6@OG1 NHE_11@HN2 NHE_11@N 1 0.000 6.283 209 3 THR_6@OG1 THR_4@HG1 THR_4@OG1 4781 0.009 6.434 210 3 THR_6@OG1 THR_4@H THR_4@N 5 0.000 8.202 211 3 THR_6@OG1 THR_5@HG1 THR_5@OG1 234 0.000 8.273 212 3 THR_6@OG1 THR_5@H THR_5@N 1 0.000 9.458 213 5 THR_6@OG1 THR_6@H THR_6@N 70664 0.136 8.344 214 3 THR_6@OG1 THR_7@HG1 THR_7@OG1 336 0.001 7.574 215 3 THR_6@OG1 THR_7@H THR_7@N 14293 0.027 9.048 216 3 THR_6@O LYS_8@H LYS_8@N 26458 0.051 8.257 217 3 THR_6@O LYS_8@HZ1 LYS_8@NZ 2920 0.006 8.718 218 3 THR_6@O LYS_8@HZ2 LYS_8@NZ 3172 0.006 8.678 219 3 THR_6@O LYS_8@HZ3 LYS_8@NZ 3019 0.006 8.767 220 3 THR_6@O LYS_9@H LYS_9@N 6341 0.012 8.200 221 3 THR_6@O LYS_9@HZ1 LYS_9@NZ 1589 0.003 7.744 222 3 THR_6@O LYS_9@HZ2 LYS_9@NZ 1667 0.003 7.767 223 3 THR_6@O LYS_9@HZ3 LYS_9@NZ 1548 0.003 7.698 224 3 THR_6@O NHE_11@HN1 NHE_11@N 1 0.000 8.718 225 3 THR_6@O THR_4@HG1 THR_4@OG1 440 0.001 8.864 226 3 THR_6@O THR_4@H THR_4@N 15 0.000 4.895 227 3 THR_6@O THR_5@HG1 THR_5@OG1 60 0.000 11.461 228 5 THR_6@O THR_6@HG1 THR_6@OG1 3183 0.006 8.564 229 5 THR_6@O THR_6@H THR_6@N 5073 0.010 9.812 230 3 THR_6@O THR_7@HG1 THR_7@OG1 420 0.001 7.450 231 3 THR_7@N LYS_8@H LYS_8@N 235828 0.453 7.520 232 3 THR_7@N THR_4@HG1 THR_4@OG1 42 0.000 6.592 233 3 THR_7@N THR_5@HG1 THR_5@OG1 4 0.000 10.594 234 3 THR_7@N THR_6@HG1 THR_6@OG1 44 0.000 7.054 235 3 THR_7@N THR_6@H THR_6@N 1092 0.002 7.369 236 5 THR_7@N THR_7@HG1 THR_7@OG1 9297 0.018 7.935 237 3 THR_7@OG1 LYS_8@H LYS_8@N 29774 0.057 9.249 238 3 THR_7@OG1 LYS_8@HZ1 LYS_8@NZ 673 0.001 8.018 239 3 THR_7@OG1 LYS_8@HZ2 LYS_8@NZ 706 0.001 7.881 240 3 THR_7@OG1 LYS_8@HZ3 LYS_8@NZ 695 0.001 7.869 241 3 THR_7@OG1 LYS_9@H LYS_9@N 1278 0.002 8.988 242 3 THR_7@OG1 LYS_9@HZ1 LYS_9@NZ 1080 0.002 9.937 243 3 THR_7@OG1 LYS_9@HZ2 LYS_9@NZ 1074 0.002 9.856 244 3 THR_7@OG1 LYS_9@HZ3 LYS_9@NZ 1152 0.002 9.870 245 3 THR_7@OG1 NHE_11@HN1 NHE_11@N 1 0.000 11.851 246 3 THR_7@OG1 THR_4@HG1 THR_4@OG1 4187 0.008 5.909 247 3 THR_7@OG1 THR_4@H THR_4@N 9176 0.018 4.553 248 3 THR_7@OG1 THR_5@HG1 THR_5@OG1 2399 0.005 8.930 249 3 THR_7@OG1 THR_5@H THR_5@N 13 0.000 8.261 250 3 THR_7@OG1 THR_6@HG1 THR_6@OG1 96 0.000 7.105 251 5 THR_7@OG1 THR_7@H THR_7@N 48377 0.093 8.918 252 3 THR_7@O LYS_8@HZ1 LYS_8@NZ 140 0.000 8.302 253 3 THR_7@O LYS_8@HZ2 LYS_8@NZ 172 0.000 8.102 254 3 THR_7@O LYS_8@HZ3 LYS_8@NZ 192 0.000 8.221 255 3 THR_7@O LYS_9@H LYS_9@N 14322 0.028 7.794 256 3 THR_7@O LYS_9@HZ1 LYS_9@NZ 3008 0.006 8.811 257 3 THR_7@O LYS_9@HZ2 LYS_9@NZ 2994 0.006 8.769 258 3 THR_7@O LYS_9@HZ3 LYS_9@NZ 3161 0.006 8.762 259 3 THR_7@O NHE_11@HN1 NHE_11@N 234 0.000 7.839 260 3 THR_7@O THR_4@HG1 THR_4@OG1 742 0.001 7.370 261 3 THR_7@O THR_4@H THR_4@N 3484 0.007 4.913 262 3 THR_7@O THR_5@HG1 THR_5@OG1 1487 0.003 9.637 263 3 THR_7@O THR_5@H THR_5@N 4 0.000 5.264 264 3 THR_7@O THR_6@HG1 THR_6@OG1 146 0.000 11.280 265 5 THR_7@O THR_7@HG1 THR_7@OG1 1532 0.003 8.028 266 5 THR_7@O THR_7@H THR_7@N 10632 0.020 9.120