EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:20:57 REMARK 6 MODELLER OBJECTIVE FUNCTION: 121.8749 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 51.724 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -2033.80298 REMARK 6 GA341 score: 1.00000 REMARK 6 Normalized DOPE score: -1.40113 REMARK 6 TEMPLATE: 2i13A02 75:A - 103:A MODELS 1: - 29: AT 51.7% ATOM 1 N GLU 277 -3.240 17.522 54.135 1.00 65.84 N ATOM 2 CA GLU 277 -3.107 18.729 53.291 1.00 65.84 C ATOM 3 CB GLU 277 -3.937 18.620 52.006 1.00 65.84 C ATOM 4 CG GLU 277 -3.424 17.604 50.994 1.00 65.84 C ATOM 5 CD GLU 277 -4.277 17.792 49.751 1.00 65.84 C ATOM 6 OE1 GLU 277 -4.996 18.825 49.685 1.00 65.84 O ATOM 7 OE2 GLU 277 -4.222 16.912 48.853 1.00 65.84 O ATOM 8 C GLU 277 -3.622 19.939 53.985 1.00 65.84 C ATOM 9 O GLU 277 -4.037 19.888 55.142 1.00 65.84 O ATOM 10 N LYS 278 -3.573 21.079 53.270 1.00151.37 N ATOM 11 CA LYS 278 -4.098 22.295 53.807 1.00151.37 C ATOM 12 CB LYS 278 -3.030 23.386 53.980 1.00151.37 C ATOM 13 CG LYS 278 -1.735 22.846 54.583 1.00151.37 C ATOM 14 CD LYS 278 -1.941 22.054 55.872 1.00151.37 C ATOM 15 CE LYS 278 -0.701 21.252 56.269 1.00151.37 C ATOM 16 NZ LYS 278 -0.314 20.367 55.149 1.00151.37 N ATOM 17 C LYS 278 -5.024 22.806 52.755 1.00151.37 C ATOM 18 O LYS 278 -4.605 23.521 51.849 1.00151.37 O ATOM 19 N PRO 279 -6.271 22.451 52.846 1.00119.32 N ATOM 20 CA PRO 279 -7.226 22.838 51.846 1.00119.32 C ATOM 21 CD PRO 279 -6.687 21.268 53.576 1.00119.32 C ATOM 22 CB PRO 279 -8.421 21.892 52.008 1.00119.32 C ATOM 23 CG PRO 279 -8.209 21.220 53.377 1.00119.32 C ATOM 24 C PRO 279 -7.603 24.283 51.852 1.00119.32 C ATOM 25 O PRO 279 -8.103 24.757 50.833 1.00119.32 O ATOM 26 N PHE 280 -7.395 25.018 52.957 1.00 61.47 N ATOM 27 CA PHE 280 -7.906 26.356 52.933 1.00 61.47 C ATOM 28 CB PHE 280 -8.768 26.668 54.164 1.00 61.47 C ATOM 29 CG PHE 280 -9.873 25.672 54.086 1.00 61.47 C ATOM 30 CD1 PHE 280 -10.981 25.900 53.302 1.00 61.47 C ATOM 31 CD2 PHE 280 -9.789 24.496 54.795 1.00 61.47 C ATOM 32 CE1 PHE 280 -11.987 24.964 53.233 1.00 61.47 C ATOM 33 CE2 PHE 280 -10.791 23.557 54.729 1.00 61.47 C ATOM 34 CZ PHE 280 -11.896 23.792 53.946 1.00 61.47 C ATOM 35 C PHE 280 -6.773 27.323 52.850 1.00 61.47 C ATOM 36 O PHE 280 -5.896 27.357 53.712 1.00 61.47 O ATOM 37 N THR 281 -6.773 28.160 51.791 1.00 35.93 N ATOM 38 CA THR 281 -5.687 29.080 51.638 1.00 35.93 C ATOM 39 CB THR 281 -4.966 28.965 50.323 1.00 35.93 C ATOM 40 OG1 THR 281 -4.443 27.654 50.163 1.00 35.93 O ATOM 41 CG2 THR 281 -3.816 29.991 50.302 1.00 35.93 C ATOM 42 C THR 281 -6.224 30.466 51.758 1.00 35.93 C ATOM 43 O THR 281 -7.339 30.763 51.331 1.00 35.93 O ATOM 44 N CYS 282 -5.428 31.343 52.399 1.00 46.29 N ATOM 45 CA CYS 282 -5.794 32.715 52.603 1.00 46.29 C ATOM 46 CB CYS 282 -4.928 33.412 53.669 1.00 46.29 C ATOM 47 SG CYS 282 -5.375 35.151 53.947 1.00 46.29 S ATOM 48 C CYS 282 -5.606 33.445 51.316 1.00 46.29 C ATOM 49 O CYS 282 -4.553 33.367 50.687 1.00 46.29 O ATOM 50 N THR 283 -6.632 34.207 50.902 1.00104.68 N ATOM 51 CA THR 283 -6.566 34.917 49.660 1.00104.68 C ATOM 52 CB THR 283 -7.848 35.621 49.341 1.00104.68 C ATOM 53 OG1 THR 283 -8.128 36.598 50.331 1.00104.68 O ATOM 54 CG2 THR 283 -8.976 34.577 49.296 1.00104.68 C ATOM 55 C THR 283 -5.495 35.955 49.739 1.00104.68 C ATOM 56 O THR 283 -4.782 36.191 48.764 1.00104.68 O ATOM 57 N HIS 284 -5.379 36.643 50.892 1.00131.78 N ATOM 58 CA HIS 284 -4.420 37.709 50.952 1.00131.78 C ATOM 59 ND1 HIS 284 -6.923 38.864 52.930 1.00131.78 N ATOM 60 CG HIS 284 -5.755 39.320 52.366 1.00131.78 C ATOM 61 CB HIS 284 -4.501 38.511 52.259 1.00131.78 C ATOM 62 NE2 HIS 284 -7.311 40.949 52.264 1.00131.78 N ATOM 63 CD2 HIS 284 -6.008 40.595 51.962 1.00131.78 C ATOM 64 CE1 HIS 284 -7.821 39.878 52.844 1.00131.78 C ATOM 65 C HIS 284 -2.995 37.246 50.831 1.00131.78 C ATOM 66 O HIS 284 -2.330 37.544 49.840 1.00131.78 O ATOM 67 N CYS 285 -2.497 36.531 51.866 1.00 67.73 N ATOM 68 CA CYS 285 -1.125 36.089 51.965 1.00 67.73 C ATOM 69 CB CYS 285 -0.685 35.840 53.419 1.00 67.73 C ATOM 70 SG CYS 285 -1.676 34.577 54.264 1.00 67.73 S ATOM 71 C CYS 285 -0.814 34.872 51.141 1.00 67.73 C ATOM 72 O CYS 285 0.279 34.756 50.588 1.00 67.73 O ATOM 73 N GLY 286 -1.755 33.914 51.037 1.00 29.39 N ATOM 74 CA GLY 286 -1.475 32.719 50.290 1.00 29.39 C ATOM 75 C GLY 286 -1.100 31.610 51.232 1.00 29.39 C ATOM 76 O GLY 286 -0.754 30.516 50.791 1.00 29.39 O ATOM 77 N LYS 287 -1.149 31.851 52.559 1.00 63.96 N ATOM 78 CA LYS 287 -0.806 30.798 53.476 1.00 63.96 C ATOM 79 CB LYS 287 -0.546 31.262 54.922 1.00 63.96 C ATOM 80 CG LYS 287 -0.034 30.127 55.814 1.00 63.96 C ATOM 81 CD LYS 287 0.600 30.582 57.131 1.00 63.96 C ATOM 82 CE LYS 287 1.157 29.421 57.959 1.00 63.96 C ATOM 83 NZ LYS 287 1.846 29.929 59.166 1.00 63.96 N ATOM 84 C LYS 287 -1.918 29.787 53.495 1.00 63.96 C ATOM 85 O LYS 287 -3.087 30.127 53.309 1.00 63.96 O ATOM 86 N SER 288 -1.575 28.500 53.728 1.00 55.27 N ATOM 87 CA SER 288 -2.561 27.449 53.693 1.00 55.27 C ATOM 88 CB SER 288 -2.154 26.276 52.779 1.00 55.27 C ATOM 89 OG SER 288 -1.983 26.730 51.444 1.00 55.27 O ATOM 90 C SER 288 -2.739 26.883 55.074 1.00 55.27 C ATOM 91 O SER 288 -1.802 26.853 55.872 1.00 55.27 O ATOM 92 N TYR 289 -3.969 26.414 55.390 1.00145.85 N ATOM 93 CA TYR 289 -4.250 25.897 56.704 1.00145.85 C ATOM 94 CB TYR 289 -5.147 26.832 57.535 1.00145.85 C ATOM 95 CG TYR 289 -4.393 28.100 57.750 1.00145.85 C ATOM 96 CD1 TYR 289 -4.491 29.128 56.841 1.00145.85 C ATOM 97 CD2 TYR 289 -3.579 28.260 58.848 1.00145.85 C ATOM 98 CE1 TYR 289 -3.796 30.299 57.028 1.00145.85 C ATOM 99 CE2 TYR 289 -2.882 29.430 59.040 1.00145.85 C ATOM 100 CZ TYR 289 -2.990 30.452 58.129 1.00145.85 C ATOM 101 OH TYR 289 -2.276 31.655 58.316 1.00145.85 O ATOM 102 C TYR 289 -4.981 24.592 56.605 1.00145.85 C ATOM 103 O TYR 289 -5.741 24.342 55.669 1.00145.85 O ATOM 104 N THR 290 -4.733 23.711 57.594 1.00108.05 N ATOM 105 CA THR 290 -5.374 22.433 57.696 1.00108.05 C ATOM 106 CB THR 290 -4.763 21.555 58.746 1.00108.05 C ATOM 107 OG1 THR 290 -4.915 22.138 60.032 1.00108.05 O ATOM 108 CG2 THR 290 -3.271 21.388 58.424 1.00108.05 C ATOM 109 C THR 290 -6.815 22.625 58.054 1.00108.05 C ATOM 110 O THR 290 -7.673 21.864 57.604 1.00108.05 O ATOM 111 N HIS 291 -7.119 23.638 58.893 1.00 73.08 N ATOM 112 CA HIS 291 -8.479 23.790 59.330 1.00 73.08 C ATOM 113 ND1 HIS 291 -7.259 21.694 61.659 1.00 73.08 N ATOM 114 CG HIS 291 -8.480 22.256 61.356 1.00 73.08 C ATOM 115 CB HIS 291 -8.670 23.654 60.850 1.00 73.08 C ATOM 116 NE2 HIS 291 -8.794 20.141 62.080 1.00 73.08 N ATOM 117 CD2 HIS 291 -9.405 21.292 61.619 1.00 73.08 C ATOM 118 CE1 HIS 291 -7.504 20.431 62.087 1.00 73.08 C ATOM 119 C HIS 291 -9.017 25.136 58.965 1.00 73.08 C ATOM 120 O HIS 291 -8.304 26.138 58.922 1.00 73.08 O ATOM 121 N SER 292 -10.341 25.166 58.712 1.00 32.15 N ATOM 122 CA SER 292 -11.044 26.354 58.333 1.00 32.15 C ATOM 123 CB SER 292 -12.526 26.092 58.022 1.00 32.15 C ATOM 124 OG SER 292 -12.646 25.205 56.920 1.00 32.15 O ATOM 125 C SER 292 -11.011 27.324 59.470 1.00 32.15 C ATOM 126 O SER 292 -10.880 28.527 59.255 1.00 32.15 O ATOM 127 N SER 293 -11.125 26.820 60.715 1.00 27.72 N ATOM 128 CA SER 293 -11.186 27.667 61.873 1.00 27.72 C ATOM 129 CB SER 293 -11.332 26.872 63.177 1.00 27.72 C ATOM 130 OG SER 293 -10.151 26.120 63.415 1.00 27.72 O ATOM 131 C SER 293 -9.919 28.447 61.992 1.00 27.72 C ATOM 132 O SER 293 -9.942 29.631 62.325 1.00 27.72 O ATOM 133 N THR 294 -8.775 27.790 61.734 1.00 25.40 N ATOM 134 CA THR 294 -7.504 28.444 61.846 1.00 25.40 C ATOM 135 CB THR 294 -6.351 27.511 61.622 1.00 25.40 C ATOM 136 OG1 THR 294 -6.384 26.452 62.566 1.00 25.40 O ATOM 137 CG2 THR 294 -5.043 28.305 61.768 1.00 25.40 C ATOM 138 C THR 294 -7.419 29.515 60.806 1.00 25.40 C ATOM 139 O THR 294 -6.912 30.604 61.064 1.00 25.40 O ATOM 140 N LEU 295 -7.917 29.222 59.589 1.00109.72 N ATOM 141 CA LEU 295 -7.866 30.144 58.489 1.00109.72 C ATOM 142 CB LEU 295 -8.422 29.493 57.204 1.00109.72 C ATOM 143 CG LEU 295 -8.433 30.386 55.951 1.00109.72 C ATOM 144 CD1 LEU 295 -9.581 31.401 55.995 1.00109.72 C ATOM 145 CD2 LEU 295 -7.070 31.062 55.740 1.00109.72 C ATOM 146 C LEU 295 -8.677 31.352 58.843 1.00109.72 C ATOM 147 O LEU 295 -8.261 32.486 58.614 1.00109.72 O ATOM 148 N ARG 296 -9.843 31.129 59.469 1.00110.28 N ATOM 149 CA ARG 296 -10.743 32.190 59.821 1.00110.28 C ATOM 150 CB ARG 296 -11.998 31.657 60.530 1.00110.28 C ATOM 151 CG ARG 296 -12.938 32.743 61.058 1.00110.28 C ATOM 152 CD ARG 296 -14.185 32.163 61.728 1.00110.28 C ATOM 153 NE ARG 296 -15.019 31.573 60.645 1.00110.28 N ATOM 154 CZ ARG 296 -16.061 32.287 60.128 1.00110.28 C ATOM 155 NH1 ARG 296 -16.404 33.488 60.678 1.00110.28 N ATOM 156 NH2 ARG 296 -16.770 31.793 59.071 1.00110.28 N ATOM 157 C ARG 296 -10.065 33.137 60.757 1.00110.28 C ATOM 158 O ARG 296 -10.179 34.352 60.607 1.00110.28 O ATOM 159 N LYS 297 -9.334 32.600 61.748 1.00 55.59 N ATOM 160 CA LYS 297 -8.663 33.425 62.710 1.00 55.59 C ATOM 161 CB LYS 297 -7.921 32.588 63.768 1.00 55.59 C ATOM 162 CG LYS 297 -8.847 31.699 64.605 1.00 55.59 C ATOM 163 CD LYS 297 -8.121 30.572 65.345 1.00 55.59 C ATOM 164 CE LYS 297 -7.256 31.057 66.507 1.00 55.59 C ATOM 165 NZ LYS 297 -6.597 29.902 67.155 1.00 55.59 N ATOM 166 C LYS 297 -7.637 34.236 61.985 1.00 55.59 C ATOM 167 O LYS 297 -7.482 35.431 62.231 1.00 55.59 O ATOM 168 N HIS 298 -6.925 33.591 61.045 1.00 61.69 N ATOM 169 CA HIS 298 -5.857 34.217 60.328 1.00 61.69 C ATOM 170 ND1 HIS 298 -2.841 34.255 59.246 1.00 61.69 N ATOM 171 CG HIS 298 -4.011 33.856 58.640 1.00 61.69 C ATOM 172 CB HIS 298 -5.166 33.240 59.364 1.00 61.69 C ATOM 173 NE2 HIS 298 -2.610 34.681 57.078 1.00 61.69 N ATOM 174 CD2 HIS 298 -3.855 34.128 57.316 1.00 61.69 C ATOM 175 CE1 HIS 298 -2.039 34.742 58.267 1.00 61.69 C ATOM 176 C HIS 298 -6.372 35.374 59.530 1.00 61.69 C ATOM 177 O HIS 298 -5.779 36.448 59.544 1.00 61.69 O ATOM 178 N LEU 299 -7.507 35.201 58.830 1.00 91.76 N ATOM 179 CA LEU 299 -8.025 36.262 58.011 1.00 91.76 C ATOM 180 CB LEU 299 -9.272 35.880 57.198 1.00 91.76 C ATOM 181 CG LEU 299 -8.926 35.084 55.934 1.00 91.76 C ATOM 182 CD1 LEU 299 -8.284 35.995 54.876 1.00 91.76 C ATOM 183 CD2 LEU 299 -8.026 33.892 56.277 1.00 91.76 C ATOM 184 C LEU 299 -8.380 37.446 58.844 1.00 91.76 C ATOM 185 O LEU 299 -8.224 38.583 58.402 1.00 91.76 O ATOM 186 N ARG 300 -8.853 37.217 60.080 1.00102.06 N ATOM 187 CA ARG 300 -9.306 38.294 60.910 1.00102.06 C ATOM 188 CB ARG 300 -9.815 37.841 62.297 1.00102.06 C ATOM 189 CG ARG 300 -11.143 37.075 62.247 1.00102.06 C ATOM 190 CD ARG 300 -11.849 36.901 63.599 1.00102.06 C ATOM 191 NE ARG 300 -11.089 35.920 64.431 1.00102.06 N ATOM 192 CZ ARG 300 -10.216 36.346 65.393 1.00102.06 C ATOM 193 NH1 ARG 300 -10.004 37.681 65.578 1.00102.06 N ATOM 194 NH2 ARG 300 -9.574 35.437 66.186 1.00102.06 N ATOM 195 C ARG 300 -8.185 39.254 61.125 1.00102.06 C ATOM 196 O ARG 300 -8.421 40.453 61.244 1.00102.06 O ATOM 197 N ILE 301 -6.934 38.772 61.202 1.00 92.08 N ATOM 198 CA ILE 301 -5.881 39.703 61.472 1.00 92.08 C ATOM 199 CB ILE 301 -4.538 39.057 61.640 1.00 92.08 C ATOM 200 CG1 ILE 301 -4.055 38.426 60.327 1.00 92.08 C ATOM 201 CG2 ILE 301 -4.657 38.056 62.801 1.00 92.08 C ATOM 202 CD1 ILE 301 -2.586 38.013 60.353 1.00 92.08 C ATOM 203 C ILE 301 -5.768 40.700 60.356 1.00 92.08 C ATOM 204 O ILE 301 -5.637 41.896 60.610 1.00 92.08 O ATOM 205 N HIS 302 -5.823 40.245 59.088 1.00 85.18 N ATOM 206 CA HIS 302 -5.617 41.151 57.993 1.00 85.18 C ATOM 207 ND1 HIS 302 -4.996 38.034 57.092 1.00 85.18 N ATOM 208 CG HIS 302 -4.663 39.275 56.606 1.00 85.18 C ATOM 209 CB HIS 302 -5.617 40.432 56.634 1.00 85.18 C ATOM 210 NE2 HIS 302 -2.902 37.889 56.355 1.00 85.18 N ATOM 211 CD2 HIS 302 -3.380 39.170 56.158 1.00 85.18 C ATOM 212 CE1 HIS 302 -3.910 37.249 56.917 1.00 85.18 C ATOM 213 C HIS 302 -6.706 42.187 57.983 1.00 85.18 C ATOM 214 O HIS 302 -6.438 43.383 57.876 1.00 85.18 O ATOM 215 N THR 303 -7.970 41.746 58.110 1.00 46.72 N ATOM 216 CA THR 303 -9.109 42.621 58.087 1.00 46.72 C ATOM 217 CB THR 303 -10.405 41.870 58.009 1.00 46.72 C ATOM 218 OG1 THR 303 -10.572 41.052 59.157 1.00 46.72 O ATOM 219 CG2 THR 303 -10.370 40.994 56.745 1.00 46.72 C ATOM 220 C THR 303 -9.118 43.463 59.321 1.00 46.72 C ATOM 221 O THR 303 -9.592 44.597 59.312 1.00 46.72 O ATOM 222 N ARG 304 -8.572 42.926 60.422 1.00136.51 N ATOM 223 CA ARG 304 -8.641 43.589 61.685 1.00136.51 C ATOM 224 CB ARG 304 -8.109 45.034 61.645 1.00136.51 C ATOM 225 CG ARG 304 -7.543 45.492 62.992 1.00136.51 C ATOM 226 CD ARG 304 -8.558 45.613 64.128 1.00136.51 C ATOM 227 NE ARG 304 -7.774 45.673 65.393 1.00136.51 N ATOM 228 CZ ARG 304 -8.403 45.844 66.592 1.00136.51 C ATOM 229 NH1 ARG 304 -9.758 46.012 66.653 1.00136.51 N ATOM 230 NH2 ARG 304 -7.666 45.844 67.741 1.00136.51 N ATOM 231 C ARG 304 -10.096 43.594 62.039 1.00136.51 C ATOM 232 O ARG 304 -10.609 44.516 62.673 1.00136.51 O ATOM 233 N GLU 305 -10.789 42.515 61.617 1.00105.75 N ATOM 234 CA GLU 305 -12.186 42.308 61.875 1.00105.75 C ATOM 235 CB GLU 305 -12.831 41.326 60.877 1.00105.75 C ATOM 236 CG GLU 305 -14.358 41.375 60.797 1.00105.75 C ATOM 237 CD GLU 305 -14.695 42.541 59.885 1.00105.75 C ATOM 238 OE1 GLU 305 -13.848 43.470 59.796 1.00105.75 O ATOM 239 OE2 GLU 305 -15.788 42.520 59.260 1.00105.75 O ATOM 240 C GLU 305 -12.249 41.632 63.240 1.00105.75 C ATOM 241 O GLU 305 -11.148 41.335 63.778 1.00105.75 O ATOM 242 OXT GLU 305 -13.373 41.395 63.759 1.00105.75 O