EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:00:05 REMARK 6 MODELLER OBJECTIVE FUNCTION: 130.7268 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 48.276 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1659.52783 REMARK 6 GA341 score: 0.88577 REMARK 6 Normalized DOPE score: -0.97068 REMARK 6 TEMPLATE: 2i13A02 75:A - 103:A MODELS 1: - 29: AT 48.3% ATOM 1 N LYS 277 -11.756 31.052 48.541 1.00 85.07 N ATOM 2 CA LYS 277 -11.035 32.038 49.376 1.00 85.07 C ATOM 3 CB LYS 277 -11.968 33.199 49.746 1.00 85.07 C ATOM 4 CG LYS 277 -12.487 33.983 48.539 1.00 85.07 C ATOM 5 CD LYS 277 -13.546 35.026 48.905 1.00 85.07 C ATOM 6 CE LYS 277 -14.779 34.448 49.604 1.00 85.07 C ATOM 7 NZ LYS 277 -15.681 35.544 50.028 1.00 85.07 N ATOM 8 C LYS 277 -10.587 31.383 50.639 1.00 85.07 C ATOM 9 O LYS 277 -9.622 30.621 50.649 1.00 85.07 O ATOM 10 N LYS 278 -11.273 31.679 51.758 1.00133.17 N ATOM 11 CA LYS 278 -10.889 31.032 52.978 1.00133.17 C ATOM 12 CB LYS 278 -10.574 32.008 54.122 1.00133.17 C ATOM 13 CG LYS 278 -11.409 33.285 54.137 1.00133.17 C ATOM 14 CD LYS 278 -11.070 34.237 52.987 1.00133.17 C ATOM 15 CE LYS 278 -11.778 35.589 53.088 1.00133.17 C ATOM 16 NZ LYS 278 -11.207 36.535 52.103 1.00133.17 N ATOM 17 C LYS 278 -11.984 30.110 53.411 1.00133.17 C ATOM 18 O LYS 278 -13.019 30.519 53.938 1.00133.17 O ATOM 19 N PRO 279 -11.744 28.855 53.159 1.00103.32 N ATOM 20 CA PRO 279 -12.689 27.822 53.499 1.00103.32 C ATOM 21 CD PRO 279 -10.985 28.513 51.965 1.00103.32 C ATOM 22 CB PRO 279 -12.291 26.599 52.675 1.00103.32 C ATOM 23 CG PRO 279 -11.582 27.196 51.448 1.00103.32 C ATOM 24 C PRO 279 -12.852 27.499 54.955 1.00103.32 C ATOM 25 O PRO 279 -13.888 26.939 55.308 1.00103.32 O ATOM 26 N CYS 280 -11.869 27.805 55.824 1.00 86.86 N ATOM 27 CA CYS 280 -12.016 27.371 57.188 1.00 86.86 C ATOM 28 CB CYS 280 -10.708 26.852 57.812 1.00 86.86 C ATOM 29 SG CYS 280 -9.388 28.100 57.806 1.00 86.86 S ATOM 30 C CYS 280 -12.512 28.501 58.032 1.00 86.86 C ATOM 31 O CYS 280 -11.868 29.543 58.137 1.00 86.86 O ATOM 32 N LYS 281 -13.680 28.314 58.684 1.00 69.93 N ATOM 33 CA LYS 281 -14.191 29.388 59.483 1.00 69.93 C ATOM 34 CB LYS 281 -15.596 29.867 59.074 1.00 69.93 C ATOM 35 CG LYS 281 -16.719 28.867 59.341 1.00 69.93 C ATOM 36 CD LYS 281 -18.105 29.504 59.215 1.00 69.93 C ATOM 37 CE LYS 281 -19.264 28.562 59.543 1.00 69.93 C ATOM 38 NZ LYS 281 -20.543 29.306 59.481 1.00 69.93 N ATOM 39 C LYS 281 -14.235 28.966 60.918 1.00 69.93 C ATOM 40 O LYS 281 -14.481 27.804 61.238 1.00 69.93 O ATOM 41 N CYS 282 -13.957 29.926 61.823 1.00 46.14 N ATOM 42 CA CYS 282 -13.955 29.672 63.238 1.00 46.14 C ATOM 43 CB CYS 282 -13.132 30.700 64.034 1.00 46.14 C ATOM 44 SG CYS 282 -13.126 30.374 65.823 1.00 46.14 S ATOM 45 C CYS 282 -15.364 29.726 63.738 1.00 46.14 C ATOM 46 O CYS 282 -16.138 30.612 63.384 1.00 46.14 O ATOM 47 N SER 283 -15.736 28.768 64.605 1.00 36.91 N ATOM 48 CA SER 283 -17.077 28.724 65.111 1.00 36.91 C ATOM 49 CB SER 283 -17.354 27.465 65.949 1.00 36.91 C ATOM 50 OG SER 283 -16.553 27.473 67.121 1.00 36.91 O ATOM 51 C SER 283 -17.341 29.909 65.995 1.00 36.91 C ATOM 52 O SER 283 -18.448 30.448 65.999 1.00 36.91 O ATOM 53 N HIS 284 -16.344 30.322 66.804 1.00 98.24 N ATOM 54 CA HIS 284 -16.598 31.381 67.745 1.00 98.24 C ATOM 55 ND1 HIS 284 -16.580 31.890 71.031 1.00 98.24 N ATOM 56 CG HIS 284 -15.861 32.385 69.961 1.00 98.24 C ATOM 57 CB HIS 284 -15.462 31.556 68.772 1.00 98.24 C ATOM 58 NE2 HIS 284 -16.182 34.033 71.472 1.00 98.24 N ATOM 59 CD2 HIS 284 -15.628 33.694 70.247 1.00 98.24 C ATOM 60 CE1 HIS 284 -16.741 32.917 71.901 1.00 98.24 C ATOM 61 C HIS 284 -16.836 32.718 67.083 1.00 98.24 C ATOM 62 O HIS 284 -17.895 33.315 67.267 1.00 98.24 O ATOM 63 N CYS 285 -15.829 33.231 66.336 1.00129.21 N ATOM 64 CA CYS 285 -15.833 34.507 65.646 1.00129.21 C ATOM 65 CB CYS 285 -14.451 34.935 65.130 1.00129.21 C ATOM 66 SG CYS 285 -13.229 35.303 66.403 1.00129.21 S ATOM 67 C CYS 285 -16.614 34.473 64.373 1.00129.21 C ATOM 68 O CYS 285 -17.302 35.431 64.022 1.00129.21 O ATOM 69 N ASP 286 -16.523 33.336 63.661 1.00 74.22 N ATOM 70 CA ASP 286 -16.980 33.205 62.310 1.00 74.22 C ATOM 71 CB ASP 286 -18.374 33.806 62.066 1.00 74.22 C ATOM 72 CG ASP 286 -19.395 32.900 62.744 1.00 74.22 C ATOM 73 OD1 ASP 286 -18.976 31.926 63.425 1.00 74.22 O ATOM 74 OD2 ASP 286 -20.614 33.170 62.579 1.00 74.22 O ATOM 75 C ASP 286 -15.988 33.879 61.399 1.00 74.22 C ATOM 76 O ASP 286 -16.308 34.213 60.259 1.00 74.22 O ATOM 77 N LYS 287 -14.735 34.070 61.871 1.00 99.06 N ATOM 78 CA LYS 287 -13.682 34.614 61.049 1.00 99.06 C ATOM 79 CB LYS 287 -12.468 35.090 61.864 1.00 99.06 C ATOM 80 CG LYS 287 -11.394 35.797 61.036 1.00 99.06 C ATOM 81 CD LYS 287 -10.345 36.500 61.900 1.00 99.06 C ATOM 82 CE LYS 287 -10.946 37.543 62.841 1.00 99.06 C ATOM 83 NZ LYS 287 -9.913 38.055 63.770 1.00 99.06 N ATOM 84 C LYS 287 -13.215 33.503 60.152 1.00 99.06 C ATOM 85 O LYS 287 -13.182 32.345 60.570 1.00 99.06 O ATOM 86 N LYS 288 -12.826 33.823 58.895 1.00 55.78 N ATOM 87 CA LYS 288 -12.442 32.799 57.955 1.00 55.78 C ATOM 88 CB LYS 288 -13.129 32.960 56.590 1.00 55.78 C ATOM 89 CG LYS 288 -14.651 32.834 56.653 1.00 55.78 C ATOM 90 CD LYS 288 -15.348 33.342 55.391 1.00 55.78 C ATOM 91 CE LYS 288 -16.868 33.193 55.436 1.00 55.78 C ATOM 92 NZ LYS 288 -17.466 33.738 54.197 1.00 55.78 N ATOM 93 C LYS 288 -10.962 32.856 57.711 1.00 55.78 C ATOM 94 O LYS 288 -10.351 33.921 57.795 1.00 55.78 O ATOM 95 N PHE 289 -10.351 31.688 57.394 1.00151.06 N ATOM 96 CA PHE 289 -8.926 31.614 57.201 1.00151.06 C ATOM 97 CB PHE 289 -8.202 30.898 58.353 1.00151.06 C ATOM 98 CG PHE 289 -8.361 31.741 59.568 1.00151.06 C ATOM 99 CD1 PHE 289 -9.450 31.573 60.393 1.00151.06 C ATOM 100 CD2 PHE 289 -7.432 32.709 59.871 1.00151.06 C ATOM 101 CE1 PHE 289 -9.601 32.351 61.517 1.00151.06 C ATOM 102 CE2 PHE 289 -7.578 33.488 60.994 1.00151.06 C ATOM 103 CZ PHE 289 -8.668 33.314 61.814 1.00151.06 C ATOM 104 C PHE 289 -8.606 30.841 55.962 1.00151.06 C ATOM 105 O PHE 289 -9.330 29.935 55.552 1.00151.06 O ATOM 106 N ARG 290 -7.492 31.240 55.321 1.00 89.62 N ATOM 107 CA ARG 290 -6.970 30.661 54.121 1.00 89.62 C ATOM 108 CB ARG 290 -5.739 31.446 53.645 1.00 89.62 C ATOM 109 CG ARG 290 -6.010 32.950 53.571 1.00 89.62 C ATOM 110 CD ARG 290 -4.751 33.817 53.536 1.00 89.62 C ATOM 111 NE ARG 290 -5.183 35.207 53.856 1.00 89.62 N ATOM 112 CZ ARG 290 -4.415 35.983 54.675 1.00 89.62 C ATOM 113 NH1 ARG 290 -3.222 35.507 55.139 1.00 89.62 N ATOM 114 NH2 ARG 290 -4.838 37.229 55.036 1.00 89.62 N ATOM 115 C ARG 290 -6.501 29.273 54.430 1.00 89.62 C ATOM 116 O ARG 290 -6.705 28.346 53.645 1.00 89.62 O ATOM 117 N ASP 291 -5.851 29.097 55.598 1.00 45.19 N ATOM 118 CA ASP 291 -5.255 27.828 55.912 1.00 45.19 C ATOM 119 CB ASP 291 -3.747 27.930 56.189 1.00 45.19 C ATOM 120 CG ASP 291 -3.059 28.358 54.906 1.00 45.19 C ATOM 121 OD1 ASP 291 -3.701 28.248 53.828 1.00 45.19 O ATOM 122 OD2 ASP 291 -1.882 28.803 54.986 1.00 45.19 O ATOM 123 C ASP 291 -5.858 27.257 57.157 1.00 45.19 C ATOM 124 O ASP 291 -6.206 27.981 58.090 1.00 45.19 O ATOM 125 N LEU 292 -5.968 25.912 57.192 1.00 92.69 N ATOM 126 CA LEU 292 -6.521 25.178 58.295 1.00 92.69 C ATOM 127 CB LEU 292 -6.606 23.668 58.010 1.00 92.69 C ATOM 128 CG LEU 292 -7.462 23.320 56.775 1.00 92.69 C ATOM 129 CD1 LEU 292 -7.539 21.800 56.557 1.00 92.69 C ATOM 130 CD2 LEU 292 -8.845 23.988 56.835 1.00 92.69 C ATOM 131 C LEU 292 -5.647 25.362 59.500 1.00 92.69 C ATOM 132 O LEU 292 -6.142 25.536 60.614 1.00 92.69 O ATOM 133 N ARG 293 -4.315 25.334 59.303 1.00 26.01 N ATOM 134 CA ARG 293 -3.380 25.449 60.390 1.00 26.01 C ATOM 135 CB ARG 293 -1.914 25.351 59.929 1.00 26.01 C ATOM 136 CG ARG 293 -1.526 23.976 59.378 1.00 26.01 C ATOM 137 CD ARG 293 -0.069 23.889 58.918 1.00 26.01 C ATOM 138 NE ARG 293 0.167 22.506 58.412 1.00 26.01 N ATOM 139 CZ ARG 293 0.705 21.556 59.227 1.00 26.01 C ATOM 140 NH1 ARG 293 1.040 21.869 60.516 1.00 26.01 N ATOM 141 NH2 ARG 293 0.917 20.294 58.756 1.00 26.01 N ATOM 142 C ARG 293 -3.551 26.786 61.038 1.00 26.01 C ATOM 143 O ARG 293 -3.494 26.900 62.264 1.00 26.01 O ATOM 144 N THR 294 -3.764 27.837 60.228 1.00 27.85 N ATOM 145 CA THR 294 -3.898 29.173 60.735 1.00 27.85 C ATOM 146 CB THR 294 -4.086 30.187 59.647 1.00 27.85 C ATOM 147 OG1 THR 294 -2.986 30.142 58.750 1.00 27.85 O ATOM 148 CG2 THR 294 -4.200 31.585 60.281 1.00 27.85 C ATOM 149 C THR 294 -5.113 29.244 61.600 1.00 27.85 C ATOM 150 O THR 294 -5.104 29.890 62.647 1.00 27.85 O ATOM 151 N LEU 295 -6.207 28.585 61.181 1.00 69.70 N ATOM 152 CA LEU 295 -7.397 28.660 61.972 1.00 69.70 C ATOM 153 CB LEU 295 -8.614 27.951 61.369 1.00 69.70 C ATOM 154 CG LEU 295 -9.834 28.077 62.301 1.00 69.70 C ATOM 155 CD1 LEU 295 -10.219 29.545 62.528 1.00 69.70 C ATOM 156 CD2 LEU 295 -11.013 27.232 61.815 1.00 69.70 C ATOM 157 C LEU 295 -7.139 28.029 63.302 1.00 69.70 C ATOM 158 O LEU 295 -7.589 28.532 64.331 1.00 69.70 O ATOM 159 N LYS 296 -6.394 26.911 63.320 1.00110.25 N ATOM 160 CA LYS 296 -6.153 26.225 64.554 1.00110.25 C ATOM 161 CB LYS 296 -5.318 24.941 64.401 1.00110.25 C ATOM 162 CG LYS 296 -5.042 24.254 65.741 1.00110.25 C ATOM 163 CD LYS 296 -6.296 23.761 66.465 1.00110.25 C ATOM 164 CE LYS 296 -6.005 23.121 67.825 1.00110.25 C ATOM 165 NZ LYS 296 -7.271 22.901 68.557 1.00110.25 N ATOM 166 C LYS 296 -5.439 27.130 65.509 1.00110.25 C ATOM 167 O LYS 296 -5.758 27.144 66.697 1.00110.25 O ATOM 168 N LYS 297 -4.455 27.913 65.029 1.00 79.11 N ATOM 169 CA LYS 297 -3.744 28.789 65.919 1.00 79.11 C ATOM 170 CB LYS 297 -2.620 29.578 65.229 1.00 79.11 C ATOM 171 CG LYS 297 -1.519 28.693 64.643 1.00 79.11 C ATOM 172 CD LYS 297 -0.772 27.866 65.689 1.00 79.11 C ATOM 173 CE LYS 297 0.202 26.853 65.081 1.00 79.11 C ATOM 174 NZ LYS 297 0.933 26.144 66.155 1.00 79.11 N ATOM 175 C LYS 297 -4.722 29.791 66.447 1.00 79.11 C ATOM 176 O LYS 297 -4.697 30.141 67.624 1.00 79.11 O ATOM 177 N HIS 298 -5.628 30.259 65.568 1.00 64.28 N ATOM 178 CA HIS 298 -6.612 31.253 65.887 1.00 64.28 C ATOM 179 ND1 HIS 298 -8.607 33.769 65.311 1.00 64.28 N ATOM 180 CG HIS 298 -8.678 32.423 65.032 1.00 64.28 C ATOM 181 CB HIS 298 -7.509 31.562 64.679 1.00 64.28 C ATOM 182 NE2 HIS 298 -10.743 33.187 65.523 1.00 64.28 N ATOM 183 CD2 HIS 298 -9.991 32.083 65.165 1.00 64.28 C ATOM 184 CE1 HIS 298 -9.869 34.175 65.597 1.00 64.28 C ATOM 185 C HIS 298 -7.510 30.766 66.980 1.00 64.28 C ATOM 186 O HIS 298 -7.822 31.512 67.908 1.00 64.28 O ATOM 187 N GLU 299 -7.938 29.495 66.912 1.00 47.94 N ATOM 188 CA GLU 299 -8.859 28.955 67.875 1.00 47.94 C ATOM 189 CB GLU 299 -9.263 27.505 67.565 1.00 47.94 C ATOM 190 CG GLU 299 -10.138 27.398 66.315 1.00 47.94 C ATOM 191 CD GLU 299 -10.466 25.930 66.084 1.00 47.94 C ATOM 192 OE1 GLU 299 -10.941 25.274 67.045 1.00 47.94 O ATOM 193 OE2 GLU 299 -10.235 25.447 64.942 1.00 47.94 O ATOM 194 C GLU 299 -8.233 29.004 69.233 1.00 47.94 C ATOM 195 O GLU 299 -8.926 29.148 70.240 1.00 47.94 O ATOM 196 N ARG 300 -6.897 28.886 69.297 1.00100.78 N ATOM 197 CA ARG 300 -6.193 28.893 70.547 1.00100.78 C ATOM 198 CB ARG 300 -4.678 28.685 70.388 1.00100.78 C ATOM 199 CG ARG 300 -4.296 27.239 70.065 1.00100.78 C ATOM 200 CD ARG 300 -2.808 27.049 69.763 1.00100.78 C ATOM 201 NE ARG 300 -2.034 27.641 70.889 1.00100.78 N ATOM 202 CZ ARG 300 -0.675 27.760 70.793 1.00100.78 C ATOM 203 NH1 ARG 300 -0.023 27.320 69.678 1.00100.78 N ATOM 204 NH2 ARG 300 0.035 28.324 71.812 1.00100.78 N ATOM 205 C ARG 300 -6.415 30.203 71.240 1.00100.78 C ATOM 206 O ARG 300 -6.446 30.251 72.469 1.00100.78 O ATOM 207 N ILE 301 -6.572 31.306 70.485 1.00128.76 N ATOM 208 CA ILE 301 -6.729 32.575 71.138 1.00128.76 C ATOM 209 CB ILE 301 -6.834 33.739 70.174 1.00128.76 C ATOM 210 CG1 ILE 301 -6.524 35.071 70.883 1.00128.76 C ATOM 211 CG2 ILE 301 -8.207 33.720 69.482 1.00128.76 C ATOM 212 CD1 ILE 301 -7.480 35.426 72.019 1.00128.76 C ATOM 213 C ILE 301 -7.961 32.516 71.999 1.00128.76 C ATOM 214 O ILE 301 -7.939 32.971 73.145 1.00128.76 O ATOM 215 N HIS 302 -9.067 31.941 71.492 1.00 42.83 N ATOM 216 CA HIS 302 -10.281 31.864 72.256 1.00 42.83 C ATOM 217 ND1 HIS 302 -12.372 33.317 70.321 1.00 42.83 N ATOM 218 CG HIS 302 -11.768 32.082 70.249 1.00 42.83 C ATOM 219 CB HIS 302 -11.438 31.255 71.449 1.00 42.83 C ATOM 220 NE2 HIS 302 -12.002 32.915 68.166 1.00 42.83 N ATOM 221 CD2 HIS 302 -11.551 31.850 68.925 1.00 42.83 C ATOM 222 CE1 HIS 302 -12.486 33.769 69.051 1.00 42.83 C ATOM 223 C HIS 302 -10.051 30.987 73.451 1.00 42.83 C ATOM 224 O HIS 302 -10.469 31.307 74.564 1.00 42.83 O ATOM 225 N THR 303 -9.351 29.861 73.234 1.00 94.07 N ATOM 226 CA THR 303 -9.076 28.866 74.232 1.00 94.07 C ATOM 227 CB THR 303 -8.256 27.737 73.680 1.00 94.07 C ATOM 228 OG1 THR 303 -8.914 27.145 72.570 1.00 94.07 O ATOM 229 CG2 THR 303 -8.050 26.696 74.792 1.00 94.07 C ATOM 230 C THR 303 -8.267 29.483 75.323 1.00 94.07 C ATOM 231 O THR 303 -8.504 29.225 76.502 1.00 94.07 O ATOM 232 N GLY 304 -7.295 30.338 74.957 1.00 16.90 N ATOM 233 CA GLY 304 -6.456 30.930 75.954 1.00 16.90 C ATOM 234 C GLY 304 -5.142 30.227 75.903 1.00 16.90 C ATOM 235 O GLY 304 -4.190 30.619 76.577 1.00 16.90 O ATOM 236 N GLU 305 -5.063 29.149 75.103 1.00 33.84 N ATOM 237 CA GLU 305 -3.808 28.482 74.944 1.00 33.84 C ATOM 238 CB GLU 305 -3.919 27.069 74.349 1.00 33.84 C ATOM 239 CG GLU 305 -4.523 26.041 75.305 1.00 33.84 C ATOM 240 CD GLU 305 -4.399 24.680 74.638 1.00 33.84 C ATOM 241 OE1 GLU 305 -3.287 24.094 74.707 1.00 33.84 O ATOM 242 OE2 GLU 305 -5.406 24.213 74.043 1.00 33.84 O ATOM 243 C GLU 305 -3.036 29.325 73.937 1.00 33.84 C ATOM 244 O GLU 305 -1.921 28.900 73.532 1.00 33.84 O ATOM 245 OXT GLU 305 -3.561 30.401 73.551 1.00 33.84 O