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*** NİSA ***elNémo ID: 230519011652145367Job options:ID = 230519011652145367 JOBID = NİSA USERID = unknown PRIVAT = 0 NMODES = 5 DQMIN = -100 DQMAX = 100 DQSTEP = 20 DOGRAPHS = on DOPROJMODS = 0 DORMSD = 0 NRBL = -1 CUTOFF = 10 CAONLY = 0 Input data for this run:HEADER NİSA CRYST1 37.790 59.630 115.930 90.00 90.00 90.00 P 1 1 ATOM 1 CA ALA A 1 20.320 87.836 51.572 1.00 70.30 C ATOM 2 CA LEU A 2 22.031 84.651 50.374 1.00 62.78 C ATOM 3 CA PRO A 3 25.134 83.568 52.431 1.00 55.80 C ATOM 4 CA GLN A 4 28.575 84.609 51.210 1.00 52.13 C ATOM 5 CA THR A 5 29.485 80.947 51.273 1.00 39.74 C ATOM 6 CA VAL A 6 26.917 78.248 50.699 1.00 22.61 C ATOM 7 CA ARG A 7 28.034 75.021 52.461 1.00 13.67 C ATOM 8 CA ILE A 8 26.972 71.972 50.385 1.00 13.14 C ATOM 9 CA GLY A 9 27.034 68.506 51.902 1.00 12.06 C ATOM 10 CA THR A 10 27.561 65.397 49.785 1.00 12.30 C ATOM 11 CA ASP A 11 28.395 61.725 50.357 1.00 14.03 C ATOM 12 CA THR A 12 31.423 61.014 48.244 1.00 13.99 C ATOM 13 CA THR A 13 30.877 57.241 47.756 1.00 14.59 C ATOM 14 CA TYR A 14 28.366 57.268 44.876 1.00 12.77 C ATOM 15 CA ALA A 15 30.274 57.509 41.596 1.00 14.97 C ATOM 16 CA PRO A 16 29.694 58.893 38.985 1.00 14.94 C ATOM 17 CA PHE A 17 27.594 61.443 40.939 1.00 12.81 C ATOM 18 CA SER A 18 29.853 62.117 43.880 1.00 13.67 C ATOM 19 CA SER A 19 33.251 60.616 44.713 1.00 17.72 C ATOM 20 CA LYS A 20 36.843 61.652 45.331 1.00 23.41 C ATOM 21 CA ASP A 21 39.807 61.438 42.984 1.00 22.71 C ATOM 22 CA ALA A 22 43.387 60.368 43.872 1.00 27.45 C ATOM 23 CA LYS A 23 44.264 63.722 45.407 1.00 29.06 C ATOM 24 CA GLY A 24 41.008 63.732 47.455 1.00 25.86 C ATOM 25 CA GLU A 25 39.284 66.438 45.339 1.00 26.05 C ATOM 26 CA PHE A 26 35.485 66.062 44.986 1.00 20.92 C ATOM 27 CA ILE A 27 34.430 64.831 41.499 1.00 16.96 C ATOM 28 CA GLY A 28 31.269 63.777 39.703 1.00 11.75 C ATOM 29 CA PHE A 29 28.093 65.001 38.060 1.00 13.54 C ATOM 30 CA ASP A 30 26.635 66.320 41.379 1.00 12.86 C ATOM 31 CA ILE A 31 29.805 68.335 41.952 1.00 14.45 C ATOM 32 CA ASP A 32 29.694 69.704 38.375 1.00 15.28 C ATOM 33 CA LEU A 33 26.048 70.740 38.701 1.00 14.18 C ATOM 34 CA GLY A 34 26.571 72.316 42.187 1.00 14.16 C ATOM 35 CA ASN A 35 29.611 74.294 41.020 1.00 16.13 C ATOM 36 CA GLU A 36 27.926 75.554 37.825 1.00 17.55 C ATOM 37 CA MET A 37 24.821 76.640 39.826 1.00 16.10 C ATOM 38 CA CYS A 38 27.073 78.408 42.446 1.00 17.35 C ATOM 39 CA LYS A 39 28.826 80.224 39.558 1.00 23.61 C ATOM 40 CA ARG A 40 25.460 81.404 38.148 1.00 22.44 C ATOM 41 CA MET A 41 24.197 82.388 41.649 1.00 24.79 C ATOM 42 CA GLN A 42 27.366 84.382 42.145 1.00 31.02 C ATOM 43 CA VAL A 43 27.932 82.839 45.573 1.00 27.55 C ATOM 44 CA LYS A 44 31.004 81.025 46.871 1.00 27.88 C ATOM 45 CA CYS A 45 30.320 77.335 47.783 1.00 22.79 C ATOM 46 CA THR A 46 32.219 74.971 50.048 1.00 21.40 C ATOM 47 CA TRP A 47 31.754 71.184 49.673 1.00 17.03 C ATOM 48 CA VAL A 48 31.547 69.172 52.918 1.00 14.88 C ATOM 49 CA ALA A 49 31.780 65.334 52.805 1.00 15.13 C ATOM 50 CA SER A 50 29.440 63.431 55.122 1.00 16.86 C ATOM 51 CA ASP A 51 27.989 59.943 55.490 1.00 16.59 C ATOM 52 CA PHE A 52 24.643 59.891 53.654 1.00 11.91 C ATOM 53 CA ASP A 53 22.498 59.405 56.809 1.00 15.60 C ATOM 54 CA ALA A 54 24.105 62.422 58.501 1.00 11.97 C ATOM 55 CA LEU A 55 23.158 64.823 55.659 1.00 13.03 C ATOM 56 CA ILE A 56 19.595 65.811 56.494 1.00 14.39 C ATOM 57 CA PRO A 57 20.490 66.081 60.317 1.00 15.52 C ATOM 58 CA SER A 58 23.414 68.361 59.416 1.00 15.77 C ATOM 59 CA LEU A 59 21.181 70.483 57.201 1.00 15.01 C ATOM 60 CA LYS A 60 18.550 70.823 59.897 1.00 17.39 C ATOM 61 CA ALA A 61 21.269 71.769 62.409 1.00 17.96 C ATOM 62 CA LYS A 62 22.711 74.422 59.944 1.00 18.01 C ATOM 63 CA LYS A 63 26.120 72.720 59.713 1.00 16.78 C ATOM 64 CA ILE A 64 25.567 72.837 55.900 1.00 14.73 C ATOM 65 CA ASP A 65 23.167 74.917 53.827 1.00 12.56 C ATOM 66 CA ALA A 66 22.286 72.545 50.996 1.00 12.81 C ATOM 67 CA ILE A 67 22.524 68.847 50.071 1.00 10.12 C ATOM 68 CA ILE A 68 23.506 67.659 46.593 1.00 11.87 C ATOM 69 CA SER A 69 24.009 63.932 46.895 1.00 11.66 C ATOM 70 CA SER A 70 21.556 62.113 44.558 1.00 12.14 C ATOM 71 CA LEU A 71 18.890 63.012 47.149 1.00 11.72 C ATOM 72 CA SER A 72 15.519 61.730 45.923 1.00 12.45 C ATOM 73 CA ILE A 73 12.506 64.043 46.276 1.00 12.13 C ATOM 74 CA THR A 74 10.014 61.970 48.266 1.00 15.54 C ATOM 75 CA ASP A 75 6.796 62.703 50.066 1.00 18.44 C ATOM 76 CA LYS A 76 8.415 61.780 53.425 1.00 22.01 C ATOM 77 CA ARG A 77 11.429 64.031 53.007 1.00 17.00 C ATOM 78 CA GLN A 78 9.199 67.012 51.945 1.00 21.55 C ATOM 79 CA GLN A 79 7.604 66.888 55.392 1.00 23.83 C ATOM 80 CA GLU A 80 11.026 67.779 56.756 1.00 21.77 C ATOM 81 CA ILE A 81 13.007 69.720 54.149 1.00 15.91 C ATOM 82 CA ALA A 82 12.446 71.615 50.895 1.00 13.88 C ATOM 83 CA PHE A 83 13.856 70.719 47.451 1.00 12.95 C ATOM 84 CA SER A 84 14.960 72.575 44.350 1.00 15.86 C ATOM 85 CA ASP A 85 13.408 71.425 41.042 1.00 15.05 C ATOM 86 CA LYS A 86 14.638 68.105 39.675 1.00 12.09 C ATOM 87 CA LEU A 87 18.333 67.722 38.862 1.00 13.40 C ATOM 88 CA TYR A 88 18.009 64.216 37.217 1.00 12.75 C ATOM 89 CA ALA A 89 15.915 61.020 37.414 1.00 12.74 C ATOM 90 CA ALA A 90 16.857 58.127 39.672 1.00 14.38 C ATOM 91 CA ASP A 91 15.370 54.601 39.599 1.00 17.34 C ATOM 92 CA SER A 92 16.333 51.721 41.900 1.00 15.74 C ATOM 93 CA ARG A 93 17.554 48.312 40.687 1.00 16.06 C ATOM 94 CA LEU A 94 19.081 45.139 42.217 1.00 13.79 C ATOM 95 CA ILE A 95 22.542 43.875 41.271 1.00 16.67 C ATOM 96 CA ALA A 96 23.864 40.327 41.871 1.00 20.49 C ATOM 97 CA ALA A 97 26.401 37.881 40.363 1.00 23.45 C ATOM 98 CA LYS A 98 26.056 37.241 36.636 1.00 29.18 C ATOM 99 CA GLY A 99 23.804 34.280 36.062 1.00 35.05 C ATOM 100 CA SER A 100 22.102 34.727 39.436 1.00 37.12 C ATOM 101 CA PRO A 101 18.474 33.552 39.529 1.00 35.26 C ATOM 102 CA ILE A 102 17.791 36.473 41.946 1.00 31.46 C ATOM 103 CA GLN A 103 14.824 38.619 41.119 1.00 28.44 C ATOM 104 CA PRO A 104 13.597 41.616 43.190 1.00 28.33 C ATOM 105 CA THR A 105 10.885 39.404 44.850 1.00 30.17 C ATOM 106 CA LEU A 106 10.348 38.085 48.329 1.00 31.10 C ATOM 107 CA GLU A 107 10.282 34.533 47.107 1.00 36.49 C ATOM 108 CA SER A 108 13.659 34.952 45.391 1.00 30.99 C ATOM 109 CA LEU A 109 15.299 36.875 48.196 1.00 23.82 C ATOM 110 CA LYS A 110 14.022 35.166 51.367 1.00 27.86 C ATOM 111 CA GLY A 111 17.119 33.979 53.208 1.00 30.18 C ATOM 112 CA LYS A 112 19.525 36.035 50.987 1.00 28.08 C ATOM 113 CA HIS A 113 21.757 38.839 52.333 1.00 20.75 C ATOM 114 CA VAL A 114 20.891 42.133 50.592 1.00 18.24 C ATOM 115 CA GLY A 115 22.928 45.299 51.164 1.00 15.70 C ATOM 116 CA VAL A 116 21.383 48.805 51.253 1.00 13.71 C ATOM 117 CA LEU A 117 22.799 52.208 52.165 1.00 12.80 C ATOM 118 CA GLN A 118 21.783 53.432 55.619 1.00 15.68 C ATOM 119 CA GLY A 119 19.479 56.436 55.347 1.00 14.17 C ATOM 120 CA SER A 120 18.424 55.755 51.710 1.00 13.25 C ATOM 121 CA THR A 121 15.021 55.284 50.134 1.00 11.94 C ATOM 122 CA GLN A 122 16.316 51.721 49.293 1.00 11.55 C ATOM 123 CA GLU A 123 16.851 51.009 53.029 1.00 13.92 C ATOM 124 CA ALA A 124 13.240 52.153 53.703 1.00 16.66 C ATOM 125 CA TYR A 125 11.850 49.955 50.931 1.00 15.84 C ATOM 126 CA ALA A 126 13.914 46.867 51.815 1.00 15.86 C ATOM 127 CA ASN A 127 13.228 47.199 55.570 1.00 19.84 C ATOM 128 CA ASP A 128 9.462 47.410 55.168 1.00 21.82 C ATOM 129 CA ASN A 129 9.065 44.911 52.351 1.00 21.18 C ATOM 130 CA TRP A 130 11.821 42.414 52.753 1.00 17.44 C ATOM 131 CA ARG A 131 13.462 42.523 56.215 1.00 19.21 C ATOM 132 CA THR A 132 10.107 41.951 58.003 1.00 19.57 C ATOM 133 CA LYS A 133 9.536 38.822 55.898 1.00 20.53 C ATOM 134 CA GLY A 134 12.904 37.212 56.579 1.00 22.84 C ATOM 135 CA VAL A 135 15.261 38.605 53.919 1.00 17.46 C ATOM 136 CA ASP A 136 18.611 39.440 55.600 1.00 17.71 C ATOM 137 CA VAL A 137 18.718 43.175 54.772 1.00 15.33 C ATOM 138 CA VAL A 138 22.026 44.652 55.935 1.00 14.78 C ATOM 139 CA ALA A 139 22.393 48.491 56.213 1.00 15.40 C ATOM 140 CA TYR A 140 25.787 50.013 55.363 1.00 16.64 C ATOM 141 CA ALA A 141 27.472 53.331 56.230 1.00 16.10 C ATOM 142 CA ASN A 142 28.432 53.972 52.554 1.00 16.69 C ATOM 143 CA GLN A 143 28.013 52.375 49.097 1.00 15.82 C ATOM 144 CA ASP A 144 31.635 51.403 48.548 1.00 20.29 C ATOM 145 CA LEU A 145 31.400 49.045 51.556 1.00 21.54 C ATOM 146 CA ILE A 146 28.381 47.426 49.829 1.00 18.85 C ATOM 147 CA TYR A 147 30.289 46.758 46.594 1.00 19.09 C ATOM 148 CA SER A 148 33.267 45.375 48.545 1.00 23.42 C ATOM 149 CA ASP A 149 31.142 42.910 50.456 1.00 22.37 C ATOM 150 CA LEU A 150 29.266 41.847 47.335 1.00 24.51 C ATOM 151 CA THR A 151 32.523 40.983 45.540 1.00 28.20 C ATOM 152 CA ALA A 152 33.755 39.301 48.760 1.00 30.80 C ATOM 153 CA GLY A 153 30.705 37.021 48.624 1.00 27.69 C ATOM 154 CA ARG A 154 29.287 38.334 51.953 1.00 25.64 C ATOM 155 CA LEU A 155 26.221 39.760 50.144 1.00 20.05 C ATOM 156 CA ASP A 156 24.083 38.007 47.520 1.00 18.80 C ATOM 157 CA ALA A 157 22.536 41.229 46.203 1.00 14.76 C ATOM 158 CA ALA A 158 22.533 45.063 46.646 1.00 15.50 C ATOM 159 CA LEU A 159 19.777 47.656 45.971 1.00 13.69 C ATOM 160 CA GLN A 160 20.830 51.250 45.076 1.00 10.85 C ATOM 161 CA ASP A 161 20.179 53.811 42.282 1.00 11.31 C ATOM 162 CA GLU A 162 20.423 52.147 38.856 1.00 15.08 C ATOM 163 CA VAL A 163 22.849 54.633 37.202 1.00 14.82 C ATOM 164 CA ALA A 164 25.195 54.612 40.244 1.00 14.98 C ATOM 165 CA ALA A 165 25.396 50.758 40.102 1.00 15.88 C ATOM 166 CA SER A 166 25.784 50.812 36.281 1.00 17.27 C ATOM 167 CA GLU A 167 28.404 53.529 35.852 1.00 19.74 C ATOM 168 CA GLY A 168 30.013 53.311 39.243 1.00 19.03 C ATOM 169 CA PHE A 169 30.350 49.482 39.379 1.00 18.99 C ATOM 170 CA LEU A 170 28.984 47.238 36.621 1.00 21.18 C ATOM 171 CA LYS A 171 30.941 49.071 33.904 1.00 25.73 C ATOM 172 CA GLN A 172 34.076 49.066 36.074 1.00 29.46 C ATOM 173 CA PRO A 173 36.798 46.328 36.428 1.00 33.07 C ATOM 174 CA ALA A 174 35.352 45.304 39.767 1.00 32.17 C ATOM 175 CA GLY A 175 31.795 44.667 38.448 1.00 27.66 C ATOM 176 CA LYS A 176 32.641 42.566 35.380 1.00 29.25 C ATOM 177 CA GLU A 177 31.156 39.405 36.935 1.00 31.84 C ATOM 178 CA TYR A 178 27.967 41.126 38.173 1.00 25.23 C ATOM 179 CA ALA A 179 24.812 42.263 36.510 1.00 18.12 C ATOM 180 CA PHE A 180 21.406 43.768 37.199 1.00 17.42 C ATOM 181 CA ALA A 181 19.027 41.237 38.635 1.00 18.62 C ATOM 182 CA GLY A 182 15.594 41.905 37.145 1.00 16.34 C ATOM 183 CA PRO A 183 14.169 45.288 35.936 1.00 19.21 C ATOM 184 CA SER A 184 14.063 48.598 37.930 1.00 21.43 C ATOM 185 CA VAL A 185 11.978 48.390 41.112 1.00 26.29 C ATOM 186 CA LYS A 186 9.220 50.927 40.724 1.00 33.08 C ATOM 187 CA ASP A 187 7.404 52.070 43.811 1.00 31.81 C ATOM 188 CA LYS A 188 6.215 55.705 43.800 1.00 35.22 C ATOM 189 CA LYS A 189 5.783 55.848 47.573 1.00 30.70 C ATOM 190 CA TYR A 190 9.349 54.935 48.382 1.00 22.04 C ATOM 191 CA PHE A 191 11.560 56.156 45.643 1.00 16.61 C ATOM 192 CA GLY A 192 10.106 59.585 44.918 1.00 19.20 C ATOM 193 CA ASP A 193 10.536 61.644 41.750 1.00 22.43 C ATOM 194 CA GLY A 194 14.104 62.370 40.663 1.00 14.44 C ATOM 195 CA THR A 195 16.758 64.009 42.836 1.00 12.72 C ATOM 196 CA GLY A 196 17.052 67.677 43.913 1.00 13.22 C ATOM 197 CA VAL A 197 19.037 70.070 46.124 1.00 12.03 C ATOM 198 CA GLY A 198 17.822 69.559 49.734 1.00 11.95 C ATOM 199 CA LEU A 199 17.340 72.869 51.605 1.00 12.85 C ATOM 200 CA ARG A 200 15.836 74.056 54.910 1.00 13.83 C ATOM 201 CA LYS A 201 12.117 74.919 54.462 1.00 18.27 C ATOM 202 CA ASP A 202 12.556 78.537 55.472 1.00 21.86 C ATOM 203 CA ASP A 203 15.444 79.205 52.974 1.00 20.39 C ATOM 204 CA THR A 204 13.110 80.117 50.199 1.00 24.55 C ATOM 205 CA GLU A 205 15.517 82.787 48.867 1.00 26.00 C ATOM 206 CA LEU A 206 18.243 80.118 48.497 1.00 20.92 C ATOM 207 CA LYS A 207 15.794 77.712 46.780 1.00 16.28 C ATOM 208 CA ALA A 208 14.729 80.420 44.303 1.00 16.84 C ATOM 209 CA ALA A 209 18.394 81.118 43.410 1.00 15.91 C ATOM 210 CA PHE A 210 19.185 77.391 42.860 1.00 15.72 C ATOM 211 CA ASP A 211 15.987 76.982 40.737 1.00 15.78 C ATOM 212 CA LYS A 212 16.771 80.002 38.557 1.00 15.16 C ATOM 213 CA ALA A 213 20.413 78.904 37.989 1.00 14.21 C ATOM 214 CA LEU A 214 19.215 75.340 37.148 1.00 17.40 C ATOM 215 CA THR A 215 16.690 76.652 34.551 1.00 20.51 C ATOM 216 CA GLU A 216 19.391 78.863 32.990 1.00 21.22 C ATOM 217 CA LEU A 217 22.044 76.156 32.672 1.00 16.16 C ATOM 218 CA ARG A 218 19.438 73.702 31.225 1.00 18.57 C ATOM 219 CA GLN A 219 18.189 76.362 28.793 1.00 24.08 C ATOM 220 CA ASP A 220 21.482 77.311 27.235 1.00 18.87 C ATOM 221 CA GLY A 221 22.672 73.698 26.771 1.00 17.89 C ATOM 222 CA THR A 222 25.243 73.608 29.654 1.00 17.83 C ATOM 223 CA TYR A 223 23.401 70.735 31.418 1.00 17.53 C ATOM 224 CA ASP A 224 23.708 68.507 28.362 1.00 22.43 C ATOM 225 CA LYS A 225 27.358 69.448 27.828 1.00 23.29 C ATOM 226 CA MET A 226 28.022 68.430 31.430 1.00 21.54 C ATOM 227 CA ALA A 227 25.955 65.239 31.338 1.00 18.43 C ATOM 228 CA LYS A 228 27.711 63.999 28.170 1.00 23.94 C ATOM 229 CA LYS A 229 30.960 63.804 30.162 1.00 25.19 C ATOM 230 CA TYR A 230 29.476 60.876 32.105 1.00 20.48 C ATOM 231 CA PHE A 231 26.392 59.526 30.288 1.00 23.19 C ATOM 232 CA ASP A 232 25.376 58.580 26.786 1.00 29.86 C ATOM 233 CA PHE A 233 21.623 58.547 27.493 1.00 24.89 C ATOM 234 CA ASN A 234 19.318 61.251 28.936 1.00 26.79 C ATOM 235 CA VAL A 235 19.968 61.185 32.696 1.00 21.04 C ATOM 236 CA TYR A 236 17.432 63.926 33.293 1.00 18.69 C ATOM 237 CA GLY A 237 14.670 61.532 32.250 1.00 32.94 C ATOM 238 CA ASP A 238 12.212 64.269 31.485 1.00 52.36 C END If you find results from this site helpful for your research, please cite one of our papers:
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