EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:19:36 REMARK 6 MODELLER OBJECTIVE FUNCTION: 101.0749 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 48.000 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1674.63550 REMARK 6 GA341 score: 0.87181 REMARK 6 Normalized DOPE score: -0.04687 REMARK 6 TEMPLATE: 2i13A02 75:A - 99:A MODELS 1: - 25: AT 48.0% ATOM 1 N GLU 297 -23.839 28.270 48.723 1.00 37.01 N ATOM 2 CA GLU 297 -22.563 28.983 48.963 1.00 37.01 C ATOM 3 CB GLU 297 -22.830 30.480 49.123 1.00 37.01 C ATOM 4 CG GLU 297 -21.552 31.307 49.211 1.00 37.01 C ATOM 5 CD GLU 297 -21.971 32.767 49.225 1.00 37.01 C ATOM 6 OE1 GLU 297 -23.200 33.026 49.314 1.00 37.01 O ATOM 7 OE2 GLU 297 -21.067 33.641 49.139 1.00 37.01 O ATOM 8 C GLU 297 -21.945 28.485 50.224 1.00 37.01 C ATOM 9 O GLU 297 -21.204 27.502 50.222 1.00 37.01 O ATOM 10 N LYS 298 -22.245 29.157 51.348 1.00 78.47 N ATOM 11 CA LYS 298 -21.728 28.710 52.609 1.00 78.47 C ATOM 12 CB LYS 298 -21.017 29.828 53.378 1.00 78.47 C ATOM 13 CG LYS 298 -19.778 30.343 52.652 1.00 78.47 C ATOM 14 CD LYS 298 -19.323 31.724 53.124 1.00 78.47 C ATOM 15 CE LYS 298 -18.121 32.273 52.354 1.00 78.47 C ATOM 16 NZ LYS 298 -18.530 32.692 50.992 1.00 78.47 N ATOM 17 C LYS 298 -22.909 28.303 53.429 1.00 78.47 C ATOM 18 O LYS 298 -23.523 29.109 54.125 1.00 78.47 O ATOM 19 N PRO 299 -23.233 27.052 53.331 1.00117.11 N ATOM 20 CA PRO 299 -24.362 26.522 54.041 1.00117.11 C ATOM 21 CD PRO 299 -23.002 26.350 52.084 1.00117.11 C ATOM 22 CB PRO 299 -24.667 25.180 53.385 1.00117.11 C ATOM 23 CG PRO 299 -24.151 25.342 51.948 1.00117.11 C ATOM 24 C PRO 299 -24.201 26.398 55.519 1.00117.11 C ATOM 25 O PRO 299 -25.211 26.374 56.221 1.00117.11 O ATOM 26 N PHE 300 -22.962 26.305 56.029 1.00118.31 N ATOM 27 CA PHE 300 -22.833 26.036 57.429 1.00118.31 C ATOM 28 CB PHE 300 -21.782 24.950 57.716 1.00118.31 C ATOM 29 CG PHE 300 -22.437 23.698 57.244 1.00118.31 C ATOM 30 CD1 PHE 300 -22.389 23.311 55.922 1.00118.31 C ATOM 31 CD2 PHE 300 -23.129 22.917 58.141 1.00118.31 C ATOM 32 CE1 PHE 300 -23.015 22.156 55.506 1.00118.31 C ATOM 33 CE2 PHE 300 -23.755 21.764 57.730 1.00118.31 C ATOM 34 CZ PHE 300 -23.696 21.379 56.413 1.00118.31 C ATOM 35 C PHE 300 -22.482 27.288 58.152 1.00118.31 C ATOM 36 O PHE 300 -21.453 27.909 57.892 1.00118.31 O ATOM 37 N THR 301 -23.338 27.676 59.120 1.00 32.82 N ATOM 38 CA THR 301 -23.132 28.893 59.839 1.00 32.82 C ATOM 39 CB THR 301 -24.338 29.783 59.808 1.00 32.82 C ATOM 40 OG1 THR 301 -24.691 30.087 58.466 1.00 32.82 O ATOM 41 CG2 THR 301 -24.019 31.072 60.582 1.00 32.82 C ATOM 42 C THR 301 -22.844 28.561 61.269 1.00 32.82 C ATOM 43 O THR 301 -23.455 27.665 61.849 1.00 32.82 O ATOM 44 N CYS 302 -21.875 29.283 61.857 1.00 44.00 N ATOM 45 CA CYS 302 -21.489 29.049 63.220 1.00 44.00 C ATOM 46 CB CYS 302 -20.107 29.637 63.562 1.00 44.00 C ATOM 47 SG CYS 302 -19.572 29.328 65.270 1.00 44.00 S ATOM 48 C CYS 302 -22.496 29.700 64.105 1.00 44.00 C ATOM 49 O CYS 302 -22.854 30.860 63.916 1.00 44.00 O ATOM 50 N ALA 303 -22.971 28.964 65.125 1.00 35.74 N ATOM 51 CA ALA 303 -23.972 29.493 66.002 1.00 35.74 C ATOM 52 CB ALA 303 -24.471 28.458 67.023 1.00 35.74 C ATOM 53 C ALA 303 -23.424 30.666 66.759 1.00 35.74 C ATOM 54 O ALA 303 -24.126 31.652 66.974 1.00 35.74 O ATOM 55 N GLN 304 -22.164 30.572 67.226 1.00 78.18 N ATOM 56 CA GLN 304 -21.629 31.640 68.027 1.00 78.18 C ATOM 57 CB GLN 304 -20.232 31.297 68.571 1.00 78.18 C ATOM 58 CG GLN 304 -19.539 32.455 69.290 1.00 78.18 C ATOM 59 CD GLN 304 -18.059 32.107 69.271 1.00 78.18 C ATOM 60 OE1 GLN 304 -17.677 31.045 68.781 1.00 78.18 O ATOM 61 NE2 GLN 304 -17.208 33.031 69.790 1.00 78.18 N ATOM 62 C GLN 304 -21.436 32.925 67.269 1.00 78.18 C ATOM 63 O GLN 304 -22.073 33.931 67.576 1.00 78.18 O ATOM 64 N CYS 305 -20.521 32.919 66.272 1.00 72.03 N ATOM 65 CA CYS 305 -20.125 34.082 65.512 1.00 72.03 C ATOM 66 CB CYS 305 -18.718 33.928 64.909 1.00 72.03 C ATOM 67 SG CYS 305 -18.537 32.403 63.944 1.00 72.03 S ATOM 68 C CYS 305 -21.086 34.466 64.427 1.00 72.03 C ATOM 69 O CYS 305 -21.328 35.651 64.194 1.00 72.03 O ATOM 70 N GLY 306 -21.666 33.475 63.726 1.00 27.78 N ATOM 71 CA GLY 306 -22.534 33.800 62.634 1.00 27.78 C ATOM 72 C GLY 306 -21.750 33.712 61.352 1.00 27.78 C ATOM 73 O GLY 306 -22.288 33.974 60.278 1.00 27.78 O ATOM 74 N LYS 307 -20.452 33.347 61.430 1.00 88.80 N ATOM 75 CA LYS 307 -19.645 33.220 60.245 1.00 88.80 C ATOM 76 CB LYS 307 -18.142 33.078 60.532 1.00 88.80 C ATOM 77 CG LYS 307 -17.281 33.179 59.277 1.00 88.80 C ATOM 78 CD LYS 307 -15.776 33.189 59.563 1.00 88.80 C ATOM 79 CE LYS 307 -15.304 34.444 60.289 1.00 88.80 C ATOM 80 NZ LYS 307 -13.913 34.250 60.756 1.00 88.80 N ATOM 81 C LYS 307 -20.080 31.979 59.521 1.00 88.80 C ATOM 82 O LYS 307 -20.434 30.984 60.148 1.00 88.80 O ATOM 83 N SER 308 -20.058 32.001 58.168 1.00 98.17 N ATOM 84 CA SER 308 -20.512 30.845 57.439 1.00 98.17 C ATOM 85 CB SER 308 -21.673 31.137 56.468 1.00 98.17 C ATOM 86 OG SER 308 -21.289 32.133 55.534 1.00 98.17 O ATOM 87 C SER 308 -19.368 30.256 56.672 1.00 98.17 C ATOM 88 O SER 308 -18.429 30.953 56.295 1.00 98.17 O ATOM 89 N PHE 309 -19.423 28.925 56.439 1.00145.51 N ATOM 90 CA PHE 309 -18.336 28.237 55.804 1.00145.51 C ATOM 91 CB PHE 309 -17.567 27.334 56.789 1.00145.51 C ATOM 92 CG PHE 309 -16.959 28.210 57.837 1.00145.51 C ATOM 93 CD1 PHE 309 -17.715 28.650 58.900 1.00145.51 C ATOM 94 CD2 PHE 309 -15.644 28.608 57.748 1.00145.51 C ATOM 95 CE1 PHE 309 -17.165 29.458 59.868 1.00145.51 C ATOM 96 CE2 PHE 309 -15.091 29.415 58.716 1.00145.51 C ATOM 97 CZ PHE 309 -15.851 29.844 59.777 1.00145.51 C ATOM 98 C PHE 309 -18.869 27.354 54.714 1.00145.51 C ATOM 99 O PHE 309 -20.019 26.919 54.742 1.00145.51 O ATOM 100 N ILE 310 -18.012 27.107 53.706 1.00 44.09 N ATOM 101 CA ILE 310 -18.275 26.264 52.572 1.00 44.09 C ATOM 102 CB ILE 310 -17.202 26.331 51.519 1.00 44.09 C ATOM 103 CG1 ILE 310 -17.079 27.758 50.953 1.00 44.09 C ATOM 104 CG2 ILE 310 -17.529 25.262 50.458 1.00 44.09 C ATOM 105 CD1 ILE 310 -15.802 27.999 50.151 1.00 44.09 C ATOM 106 C ILE 310 -18.365 24.832 53.016 1.00 44.09 C ATOM 107 O ILE 310 -19.159 24.067 52.467 1.00 44.09 O ATOM 108 N TYR 311 -17.530 24.412 53.998 1.00 58.60 N ATOM 109 CA TYR 311 -17.512 23.017 54.354 1.00 58.60 C ATOM 110 CB TYR 311 -16.145 22.321 54.211 1.00 58.60 C ATOM 111 CG TYR 311 -15.588 22.468 52.835 1.00 58.60 C ATOM 112 CD1 TYR 311 -16.000 21.669 51.797 1.00 58.60 C ATOM 113 CD2 TYR 311 -14.642 23.435 52.590 1.00 58.60 C ATOM 114 CE1 TYR 311 -15.469 21.822 50.541 1.00 58.60 C ATOM 115 CE2 TYR 311 -14.103 23.593 51.335 1.00 58.60 C ATOM 116 CZ TYR 311 -14.517 22.784 50.306 1.00 58.60 C ATOM 117 OH TYR 311 -13.965 22.947 49.016 1.00 58.60 O ATOM 118 C TYR 311 -17.836 22.851 55.807 1.00 58.60 C ATOM 119 O TYR 311 -17.471 23.670 56.648 1.00 58.60 O ATOM 120 N ASN 312 -18.521 21.732 56.121 1.00 73.69 N ATOM 121 CA ASN 312 -18.955 21.357 57.437 1.00 73.69 C ATOM 122 CB ASN 312 -19.773 20.054 57.402 1.00 73.69 C ATOM 123 CG ASN 312 -20.380 19.811 58.772 1.00 73.69 C ATOM 124 OD1 ASN 312 -20.482 18.670 59.220 1.00 73.69 O ATOM 125 ND2 ASN 312 -20.820 20.902 59.453 1.00 73.69 N ATOM 126 C ASN 312 -17.754 21.135 58.304 1.00 73.69 C ATOM 127 O ASN 312 -17.736 21.517 59.473 1.00 73.69 O ATOM 128 N THR 313 -16.707 20.508 57.738 1.00 97.09 N ATOM 129 CA THR 313 -15.512 20.199 58.471 1.00 97.09 C ATOM 130 CB THR 313 -14.523 19.411 57.652 1.00 97.09 C ATOM 131 OG1 THR 313 -14.050 20.180 56.556 1.00 97.09 O ATOM 132 CG2 THR 313 -15.223 18.141 57.136 1.00 97.09 C ATOM 133 C THR 313 -14.840 21.464 58.906 1.00 97.09 C ATOM 134 O THR 313 -14.366 21.564 60.038 1.00 97.09 O ATOM 135 N ALA 314 -14.781 22.468 58.005 1.00 25.25 N ATOM 136 CA ALA 314 -14.110 23.702 58.294 1.00 25.25 C ATOM 137 CB ALA 314 -14.100 24.678 57.100 1.00 25.25 C ATOM 138 C ALA 314 -14.809 24.374 59.425 1.00 25.25 C ATOM 139 O ALA 314 -14.168 24.912 60.327 1.00 25.25 O ATOM 140 N LEU 315 -16.153 24.346 59.421 1.00107.21 N ATOM 141 CA LEU 315 -16.876 25.018 60.458 1.00107.21 C ATOM 142 CB LEU 315 -18.403 24.986 60.232 1.00107.21 C ATOM 143 CG LEU 315 -19.258 25.727 61.290 1.00107.21 C ATOM 144 CD1 LEU 315 -19.280 25.012 62.649 1.00107.21 C ATOM 145 CD2 LEU 315 -18.831 27.196 61.419 1.00107.21 C ATOM 146 C LEU 315 -16.550 24.355 61.761 1.00107.21 C ATOM 147 O LEU 315 -16.388 25.026 62.779 1.00107.21 O ATOM 148 N LEU 316 -16.404 23.016 61.754 1.00 94.65 N ATOM 149 CA LEU 316 -16.208 22.278 62.969 1.00 94.65 C ATOM 150 CB LEU 316 -16.001 20.769 62.691 1.00 94.65 C ATOM 151 CG LEU 316 -15.944 19.803 63.904 1.00 94.65 C ATOM 152 CD1 LEU 316 -15.727 18.360 63.416 1.00 94.65 C ATOM 153 CD2 LEU 316 -14.899 20.189 64.961 1.00 94.65 C ATOM 154 C LEU 316 -14.988 22.803 63.647 1.00 94.65 C ATOM 155 O LEU 316 -15.007 23.065 64.848 1.00 94.65 O ATOM 156 N ARG 317 -13.877 22.964 62.905 1.00129.36 N ATOM 157 CA ARG 317 -12.674 23.418 63.540 1.00129.36 C ATOM 158 CB ARG 317 -11.410 23.268 62.676 1.00129.36 C ATOM 159 CG ARG 317 -11.433 24.011 61.346 1.00129.36 C ATOM 160 CD ARG 317 -10.340 23.508 60.405 1.00129.36 C ATOM 161 NE ARG 317 -10.419 24.289 59.141 1.00129.36 N ATOM 162 CZ ARG 317 -9.644 25.405 59.016 1.00129.36 C ATOM 163 NH1 ARG 317 -8.819 25.769 60.039 1.00129.36 N ATOM 164 NH2 ARG 317 -9.694 26.149 57.875 1.00129.36 N ATOM 165 C ARG 317 -12.816 24.838 63.982 1.00129.36 C ATOM 166 O ARG 317 -12.329 25.215 65.047 1.00129.36 O ATOM 167 N HIS 318 -13.507 25.676 63.187 1.00 50.25 N ATOM 168 CA HIS 318 -13.635 27.049 63.575 1.00 50.25 C ATOM 169 ND1 HIS 318 -13.437 30.187 63.021 1.00 50.25 N ATOM 170 CG HIS 318 -14.524 29.345 62.919 1.00 50.25 C ATOM 171 CB HIS 318 -14.433 27.888 62.560 1.00 50.25 C ATOM 172 NE2 HIS 318 -15.236 31.420 63.457 1.00 50.25 N ATOM 173 CD2 HIS 318 -15.615 30.117 63.189 1.00 50.25 C ATOM 174 CE1 HIS 318 -13.919 31.414 63.344 1.00 50.25 C ATOM 175 C HIS 318 -14.350 27.087 64.889 1.00 50.25 C ATOM 176 O HIS 318 -14.001 27.861 65.778 1.00 50.25 O ATOM 177 N ARG 319 -15.370 26.229 65.044 1.00107.22 N ATOM 178 CA ARG 319 -16.147 26.197 66.250 1.00107.22 C ATOM 179 CB ARG 319 -17.355 25.246 66.159 1.00107.22 C ATOM 180 CG ARG 319 -18.230 25.267 67.413 1.00107.22 C ATOM 181 CD ARG 319 -19.519 24.447 67.300 1.00107.22 C ATOM 182 NE ARG 319 -20.243 24.602 68.593 1.00107.22 N ATOM 183 CZ ARG 319 -21.597 24.774 68.622 1.00107.22 C ATOM 184 NH1 ARG 319 -22.310 24.806 67.460 1.00107.22 N ATOM 185 NH2 ARG 319 -22.231 24.923 69.822 1.00107.22 N ATOM 186 C ARG 319 -15.295 25.756 67.399 1.00107.22 C ATOM 187 O ARG 319 -15.482 26.211 68.528 1.00107.22 O ATOM 188 N LYS 320 -14.337 24.845 67.161 1.00122.21 N ATOM 189 CA LYS 320 -13.568 24.330 68.257 1.00122.21 C ATOM 190 CB LYS 320 -12.517 23.277 67.854 1.00122.21 C ATOM 191 CG LYS 320 -11.267 23.829 67.160 1.00122.21 C ATOM 192 CD LYS 320 -10.122 22.813 67.048 1.00122.21 C ATOM 193 CE LYS 320 -9.306 22.627 68.332 1.00122.21 C ATOM 194 NZ LYS 320 -8.296 23.702 68.454 1.00122.21 N ATOM 195 C LYS 320 -12.860 25.466 68.920 1.00122.21 C ATOM 196 O LYS 320 -12.808 25.528 70.149 1.00122.21 O ATOM 197 N THR 321 -12.309 26.410 68.132 1.00 77.79 N ATOM 198 CA THR 321 -11.634 27.514 68.745 1.00 77.79 C ATOM 199 CB THR 321 -10.977 28.443 67.764 1.00 77.79 C ATOM 200 OG1 THR 321 -10.073 29.319 68.423 1.00 77.79 O ATOM 201 CG2 THR 321 -12.066 29.288 67.092 1.00 77.79 C ATOM 202 C THR 321 -12.676 28.315 69.522 1.00 77.79 C ATOM 203 O THR 321 -12.282 29.265 70.246 1.00 77.79 O ATOM 204 OXT THR 321 -13.882 27.978 69.405 1.00 77.79 O