EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:10:03 REMARK 6 MODELLER OBJECTIVE FUNCTION: 102.4735 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 48.000 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1477.28931 REMARK 6 GA341 score: 0.94100 REMARK 6 Normalized DOPE score: -0.06441 REMARK 6 TEMPLATE: 2i13A02 75:A - 99:A MODELS 1: - 25: AT 48.0% ATOM 1 N GLU 226 2.678 30.372 64.626 1.00 58.64 N ATOM 2 CA GLU 226 1.595 29.769 63.815 1.00 58.64 C ATOM 3 CB GLU 226 2.042 29.624 62.351 1.00 58.64 C ATOM 4 CG GLU 226 2.274 30.959 61.643 1.00 58.64 C ATOM 5 CD GLU 226 2.801 30.656 60.248 1.00 58.64 C ATOM 6 OE1 GLU 226 3.685 29.766 60.126 1.00 58.64 O ATOM 7 OE2 GLU 226 2.326 31.314 59.284 1.00 58.64 O ATOM 8 C GLU 226 1.260 28.409 64.325 1.00 58.64 C ATOM 9 O GLU 226 2.075 27.760 64.980 1.00 58.64 O ATOM 10 N LYS 227 0.023 27.952 64.060 1.00163.71 N ATOM 11 CA LYS 227 -0.356 26.640 64.493 1.00163.71 C ATOM 12 CB LYS 227 -1.405 26.658 65.622 1.00163.71 C ATOM 13 CG LYS 227 -2.593 27.594 65.377 1.00163.71 C ATOM 14 CD LYS 227 -2.233 29.081 65.327 1.00163.71 C ATOM 15 CE LYS 227 -2.021 29.712 66.704 1.00163.71 C ATOM 16 NZ LYS 227 -1.586 31.118 66.550 1.00163.71 N ATOM 17 C LYS 227 -0.896 25.904 63.304 1.00163.71 C ATOM 18 O LYS 227 -2.021 26.108 62.854 1.00163.71 O ATOM 19 N PRO 228 -0.051 25.056 62.788 1.00111.51 N ATOM 20 CA PRO 228 -0.371 24.289 61.612 1.00111.51 C ATOM 21 CD PRO 228 1.374 25.339 62.874 1.00111.51 C ATOM 22 CB PRO 228 0.961 23.765 61.080 1.00111.51 C ATOM 23 CG PRO 228 1.987 24.793 61.576 1.00111.51 C ATOM 24 C PRO 228 -1.387 23.196 61.744 1.00111.51 C ATOM 25 O PRO 228 -1.971 22.829 60.726 1.00111.51 O ATOM 26 N PHE 229 -1.624 22.634 62.945 1.00 59.82 N ATOM 27 CA PHE 229 -2.515 21.505 62.953 1.00 59.82 C ATOM 28 CB PHE 229 -1.954 20.286 63.707 1.00 59.82 C ATOM 29 CG PHE 229 -0.805 19.791 62.891 1.00 59.82 C ATOM 30 CD1 PHE 229 -1.018 18.935 61.835 1.00 59.82 C ATOM 31 CD2 PHE 229 0.484 20.186 63.172 1.00 59.82 C ATOM 32 CE1 PHE 229 0.033 18.477 61.077 1.00 59.82 C ATOM 33 CE2 PHE 229 1.540 19.732 62.417 1.00 59.82 C ATOM 34 CZ PHE 229 1.317 18.874 61.366 1.00 59.82 C ATOM 35 C PHE 229 -3.835 21.884 63.540 1.00 59.82 C ATOM 36 O PHE 229 -3.911 22.415 64.647 1.00 59.82 O ATOM 37 N MET 230 -4.924 21.587 62.796 1.00104.05 N ATOM 38 CA MET 230 -6.248 21.965 63.205 1.00104.05 C ATOM 39 CB MET 230 -7.065 22.638 62.091 1.00104.05 C ATOM 40 CG MET 230 -6.513 23.975 61.611 1.00104.05 C ATOM 41 SD MET 230 -7.307 24.594 60.099 1.00104.05 S ATOM 42 CE MET 230 -6.631 23.283 59.041 1.00104.05 C ATOM 43 C MET 230 -7.033 20.743 63.553 1.00104.05 C ATOM 44 O MET 230 -6.919 19.707 62.900 1.00104.05 O ATOM 45 N CYS 231 -7.856 20.851 64.614 1.00 44.79 N ATOM 46 CA CYS 231 -8.720 19.775 65.008 1.00 44.79 C ATOM 47 CB CYS 231 -9.178 19.876 66.474 1.00 44.79 C ATOM 48 SG CYS 231 -10.272 18.515 66.979 1.00 44.79 S ATOM 49 C CYS 231 -9.937 19.842 64.140 1.00 44.79 C ATOM 50 O CYS 231 -10.530 20.903 63.957 1.00 44.79 O ATOM 51 N THR 232 -10.354 18.691 63.583 1.00107.65 N ATOM 52 CA THR 232 -11.488 18.688 62.707 1.00107.65 C ATOM 53 CB THR 232 -11.724 17.360 62.042 1.00107.65 C ATOM 54 OG1 THR 232 -12.766 17.482 61.085 1.00107.65 O ATOM 55 CG2 THR 232 -12.102 16.308 63.101 1.00107.65 C ATOM 56 C THR 232 -12.736 19.042 63.459 1.00107.65 C ATOM 57 O THR 232 -13.594 19.759 62.943 1.00107.65 O ATOM 58 N GLN 233 -12.895 18.510 64.685 1.00 65.79 N ATOM 59 CA GLN 233 -14.140 18.731 65.362 1.00 65.79 C ATOM 60 CB GLN 233 -14.277 17.836 66.601 1.00 65.79 C ATOM 61 CG GLN 233 -15.597 18.014 67.346 1.00 65.79 C ATOM 62 CD GLN 233 -15.626 17.005 68.484 1.00 65.79 C ATOM 63 OE1 GLN 233 -15.115 15.894 68.358 1.00 65.79 O ATOM 64 NE2 GLN 233 -16.243 17.401 69.630 1.00 65.79 N ATOM 65 C GLN 233 -14.343 20.155 65.802 1.00 65.79 C ATOM 66 O GLN 233 -15.307 20.800 65.391 1.00 65.79 O ATOM 67 N CYS 234 -13.444 20.673 66.667 1.00 64.68 N ATOM 68 CA CYS 234 -13.549 22.000 67.217 1.00 64.68 C ATOM 69 CB CYS 234 -12.764 22.157 68.527 1.00 64.68 C ATOM 70 SG CYS 234 -11.003 21.766 68.329 1.00 64.68 S ATOM 71 C CYS 234 -13.104 23.068 66.263 1.00 64.68 C ATOM 72 O CYS 234 -13.709 24.137 66.198 1.00 64.68 O ATOM 73 N GLY 235 -12.028 22.811 65.493 1.00 25.62 N ATOM 74 CA GLY 235 -11.516 23.808 64.599 1.00 25.62 C ATOM 75 C GLY 235 -10.385 24.532 65.270 1.00 25.62 C ATOM 76 O GLY 235 -9.815 25.460 64.697 1.00 25.62 O ATOM 77 N LYS 236 -10.026 24.130 66.506 1.00 79.06 N ATOM 78 CA LYS 236 -8.946 24.765 67.207 1.00 79.06 C ATOM 79 CB LYS 236 -8.888 24.396 68.699 1.00 79.06 C ATOM 80 CG LYS 236 -7.862 25.211 69.488 1.00 79.06 C ATOM 81 CD LYS 236 -8.027 25.104 71.004 1.00 79.06 C ATOM 82 CE LYS 236 -7.097 26.038 71.780 1.00 79.06 C ATOM 83 NZ LYS 236 -5.687 25.704 71.484 1.00 79.06 N ATOM 84 C LYS 236 -7.657 24.338 66.573 1.00 79.06 C ATOM 85 O LYS 236 -7.526 23.206 66.107 1.00 79.06 O ATOM 86 N SER 237 -6.659 25.247 66.541 1.00 53.69 N ATOM 87 CA SER 237 -5.408 24.915 65.914 1.00 53.69 C ATOM 88 CB SER 237 -4.966 25.931 64.850 1.00 53.69 C ATOM 89 OG SER 237 -5.850 25.899 63.739 1.00 53.69 O ATOM 90 C SER 237 -4.342 24.857 66.967 1.00 53.69 C ATOM 91 O SER 237 -4.443 25.512 68.004 1.00 53.69 O ATOM 92 N PHE 238 -3.285 24.051 66.720 1.00142.24 N ATOM 93 CA PHE 238 -2.260 23.856 67.707 1.00142.24 C ATOM 94 CB PHE 238 -2.266 22.435 68.294 1.00142.24 C ATOM 95 CG PHE 238 -3.540 22.272 69.040 1.00142.24 C ATOM 96 CD1 PHE 238 -4.689 21.922 68.372 1.00142.24 C ATOM 97 CD2 PHE 238 -3.594 22.484 70.398 1.00142.24 C ATOM 98 CE1 PHE 238 -5.874 21.776 69.053 1.00142.24 C ATOM 99 CE2 PHE 238 -4.776 22.339 71.085 1.00142.24 C ATOM 100 CZ PHE 238 -5.918 21.982 70.410 1.00142.24 C ATOM 101 C PHE 238 -0.910 24.030 67.089 1.00142.24 C ATOM 102 O PHE 238 -0.712 23.814 65.894 1.00142.24 O ATOM 103 N THR 239 0.053 24.449 67.931 1.00105.47 N ATOM 104 CA THR 239 1.423 24.632 67.557 1.00105.47 C ATOM 105 CB THR 239 2.231 25.272 68.645 1.00105.47 C ATOM 106 OG1 THR 239 2.258 24.433 69.790 1.00105.47 O ATOM 107 CG2 THR 239 1.598 26.628 69.000 1.00105.47 C ATOM 108 C THR 239 2.039 23.296 67.275 1.00105.47 C ATOM 109 O THR 239 2.865 23.173 66.372 1.00105.47 O ATOM 110 N GLN 240 1.674 22.252 68.051 1.00 41.94 N ATOM 111 CA GLN 240 2.325 20.987 67.842 1.00 41.94 C ATOM 112 CB GLN 240 3.207 20.544 69.020 1.00 41.94 C ATOM 113 CG GLN 240 4.425 21.444 69.234 1.00 41.94 C ATOM 114 CD GLN 240 5.199 20.893 70.421 1.00 41.94 C ATOM 115 OE1 GLN 240 4.658 20.750 71.515 1.00 41.94 O ATOM 116 NE2 GLN 240 6.497 20.555 70.198 1.00 41.94 N ATOM 117 C GLN 240 1.326 19.896 67.606 1.00 41.94 C ATOM 118 O GLN 240 0.208 19.920 68.119 1.00 41.94 O ATOM 119 N SER 241 1.746 18.893 66.806 1.00 66.59 N ATOM 120 CA SER 241 0.942 17.767 66.431 1.00 66.59 C ATOM 121 CB SER 241 1.653 16.844 65.427 1.00 66.59 C ATOM 122 OG SER 241 0.812 15.747 65.105 1.00 66.59 O ATOM 123 C SER 241 0.632 16.947 67.643 1.00 66.59 C ATOM 124 O SER 241 -0.483 16.453 67.797 1.00 66.59 O ATOM 125 N SER 242 1.611 16.792 68.552 1.00 60.49 N ATOM 126 CA SER 242 1.406 15.958 69.704 1.00 60.49 C ATOM 127 CB SER 242 2.651 15.865 70.601 1.00 60.49 C ATOM 128 OG SER 242 2.386 15.031 71.720 1.00 60.49 O ATOM 129 C SER 242 0.294 16.533 70.519 1.00 60.49 C ATOM 130 O SER 242 -0.537 15.796 71.048 1.00 60.49 O ATOM 131 N HIS 243 0.253 17.874 70.638 1.00 38.56 N ATOM 132 CA HIS 243 -0.761 18.529 71.411 1.00 38.56 C ATOM 133 ND1 HIS 243 1.891 20.186 72.292 1.00 38.56 N ATOM 134 CG HIS 243 0.550 20.415 72.503 1.00 38.56 C ATOM 135 CB HIS 243 -0.539 20.048 71.535 1.00 38.56 C ATOM 136 NE2 HIS 243 1.722 21.172 74.278 1.00 38.56 N ATOM 137 CD2 HIS 243 0.465 21.019 73.722 1.00 38.56 C ATOM 138 CE1 HIS 243 2.545 20.656 73.385 1.00 38.56 C ATOM 139 C HIS 243 -2.096 18.301 70.771 1.00 38.56 C ATOM 140 O HIS 243 -3.091 18.089 71.462 1.00 38.56 O ATOM 141 N LEU 244 -2.159 18.337 69.428 1.00106.98 N ATOM 142 CA LEU 244 -3.414 18.161 68.751 1.00106.98 C ATOM 143 CB LEU 244 -3.273 18.300 67.218 1.00106.98 C ATOM 144 CG LEU 244 -4.568 18.126 66.391 1.00106.98 C ATOM 145 CD1 LEU 244 -5.022 16.660 66.326 1.00106.98 C ATOM 146 CD2 LEU 244 -5.687 19.056 66.883 1.00106.98 C ATOM 147 C LEU 244 -3.946 16.797 69.070 1.00106.98 C ATOM 148 O LEU 244 -5.131 16.644 69.363 1.00106.98 O ATOM 149 N ASN 245 -3.082 15.766 69.060 1.00 95.34 N ATOM 150 CA ASN 245 -3.592 14.444 69.299 1.00 95.34 C ATOM 151 CB ASN 245 -2.569 13.304 69.092 1.00 95.34 C ATOM 152 CG ASN 245 -1.432 13.362 70.101 1.00 95.34 C ATOM 153 OD1 ASN 245 -1.626 13.168 71.299 1.00 95.34 O ATOM 154 ND2 ASN 245 -0.193 13.591 69.594 1.00 95.34 N ATOM 155 C ASN 245 -4.154 14.354 70.685 1.00 95.34 C ATOM 156 O ASN 245 -5.199 13.741 70.895 1.00 95.34 O ATOM 157 N SER 246 -3.481 14.968 71.673 1.00 58.28 N ATOM 158 CA SER 246 -3.954 14.888 73.025 1.00 58.28 C ATOM 159 CB SER 246 -3.010 15.568 74.031 1.00 58.28 C ATOM 160 OG SER 246 -3.534 15.455 75.347 1.00 58.28 O ATOM 161 C SER 246 -5.278 15.578 73.106 1.00 58.28 C ATOM 162 O SER 246 -6.178 15.132 73.815 1.00 58.28 O ATOM 163 N HIS 247 -5.428 16.684 72.356 1.00 46.71 N ATOM 164 CA HIS 247 -6.634 17.462 72.367 1.00 46.71 C ATOM 165 ND1 HIS 247 -8.290 20.349 72.325 1.00 46.71 N ATOM 166 CG HIS 247 -7.829 19.467 71.372 1.00 46.71 C ATOM 167 CB HIS 247 -6.541 18.704 71.466 1.00 46.71 C ATOM 168 NE2 HIS 247 -9.811 20.315 70.703 1.00 46.71 N ATOM 169 CD2 HIS 247 -8.771 19.459 70.389 1.00 46.71 C ATOM 170 CE1 HIS 247 -9.477 20.826 71.874 1.00 46.71 C ATOM 171 C HIS 247 -7.766 16.638 71.859 1.00 46.71 C ATOM 172 O HIS 247 -8.867 16.681 72.404 1.00 46.71 O ATOM 173 N LYS 248 -7.519 15.842 70.808 1.00114.19 N ATOM 174 CA LYS 248 -8.580 15.087 70.217 1.00114.19 C ATOM 175 CB LYS 248 -8.094 14.181 69.075 1.00114.19 C ATOM 176 CG LYS 248 -9.211 13.364 68.424 1.00114.19 C ATOM 177 CD LYS 248 -8.798 12.714 67.101 1.00114.19 C ATOM 178 CE LYS 248 -7.757 11.603 67.259 1.00114.19 C ATOM 179 NZ LYS 248 -8.406 10.359 67.730 1.00114.19 N ATOM 180 C LYS 248 -9.177 14.200 71.263 1.00114.19 C ATOM 181 O LYS 248 -10.396 14.060 71.343 1.00114.19 O ATOM 182 N LEU 249 -8.336 13.574 72.105 1.00 81.17 N ATOM 183 CA LEU 249 -8.878 12.673 73.078 1.00 81.17 C ATOM 184 CB LEU 249 -7.776 11.958 73.897 1.00 81.17 C ATOM 185 CG LEU 249 -8.236 10.814 74.835 1.00 81.17 C ATOM 186 CD1 LEU 249 -7.022 10.160 75.514 1.00 81.17 C ATOM 187 CD2 LEU 249 -9.278 11.256 75.878 1.00 81.17 C ATOM 188 C LEU 249 -9.759 13.455 74.003 1.00 81.17 C ATOM 189 O LEU 249 -10.882 13.043 74.288 1.00 81.17 O ATOM 190 N LEU 250 -9.284 14.620 74.483 1.00 77.52 N ATOM 191 CA LEU 250 -10.081 15.359 75.418 1.00 77.52 C ATOM 192 CB LEU 250 -9.336 15.593 76.752 1.00 77.52 C ATOM 193 CG LEU 250 -10.159 16.190 77.919 1.00 77.52 C ATOM 194 CD1 LEU 250 -9.282 16.338 79.170 1.00 77.52 C ATOM 195 CD2 LEU 250 -10.850 17.516 77.560 1.00 77.52 C ATOM 196 C LEU 250 -10.380 16.707 74.774 1.00 77.52 C ATOM 197 O LEU 250 -9.453 17.559 74.726 1.00 77.52 O ATOM 198 OXT LEU 250 -11.543 16.903 74.328 1.00 77.52 O