EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:12:42 REMARK 6 MODELLER OBJECTIVE FUNCTION: 123.1763 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 55.172 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -2078.39453 REMARK 6 GA341 score: 0.99568 REMARK 6 Normalized DOPE score: -0.36197 REMARK 6 TEMPLATE: 2i13A02 75:A - 103:A MODELS 1: - 29: AT 55.2% ATOM 1 N GLU 287 -8.741 19.231 40.877 1.00 77.24 N ATOM 2 CA GLU 287 -7.312 19.525 41.145 1.00 77.24 C ATOM 3 CB GLU 287 -6.707 20.253 39.935 1.00 77.24 C ATOM 4 CG GLU 287 -5.206 20.006 39.789 1.00 77.24 C ATOM 5 CD GLU 287 -5.032 18.583 39.273 1.00 77.24 C ATOM 6 OE1 GLU 287 -6.045 17.978 38.834 1.00 77.24 O ATOM 7 OE2 GLU 287 -3.878 18.077 39.312 1.00 77.24 O ATOM 8 C GLU 287 -7.224 20.380 42.379 1.00 77.24 C ATOM 9 O GLU 287 -8.090 20.281 43.246 1.00 77.24 O ATOM 10 N LYS 288 -6.170 21.217 42.532 1.00115.83 N ATOM 11 CA LYS 288 -6.135 22.045 43.713 1.00115.83 C ATOM 12 CB LYS 288 -5.219 21.481 44.806 1.00115.83 C ATOM 13 CG LYS 288 -5.672 20.094 45.271 1.00115.83 C ATOM 14 CD LYS 288 -4.615 19.340 46.079 1.00115.83 C ATOM 15 CE LYS 288 -3.295 19.152 45.329 1.00115.83 C ATOM 16 NZ LYS 288 -3.468 18.237 44.181 1.00115.83 N ATOM 17 C LYS 288 -5.640 23.418 43.354 1.00115.83 C ATOM 18 O LYS 288 -4.445 23.680 43.251 1.00115.83 O ATOM 19 N PRO 289 -6.583 24.297 43.173 1.00128.37 N ATOM 20 CA PRO 289 -6.313 25.658 42.783 1.00128.37 C ATOM 21 CD PRO 289 -7.922 23.876 42.806 1.00128.37 C ATOM 22 CB PRO 289 -7.615 26.182 42.177 1.00128.37 C ATOM 23 CG PRO 289 -8.690 25.190 42.648 1.00128.37 C ATOM 24 C PRO 289 -5.749 26.597 43.812 1.00128.37 C ATOM 25 O PRO 289 -5.182 27.610 43.406 1.00128.37 O ATOM 26 N PHE 290 -5.884 26.324 45.126 1.00 59.76 N ATOM 27 CA PHE 290 -5.457 27.335 46.056 1.00 59.76 C ATOM 28 CB PHE 290 -6.500 27.643 47.140 1.00 59.76 C ATOM 29 CG PHE 290 -7.626 28.273 46.403 1.00 59.76 C ATOM 30 CD1 PHE 290 -7.619 29.623 46.150 1.00 59.76 C ATOM 31 CD2 PHE 290 -8.682 27.516 45.957 1.00 59.76 C ATOM 32 CE1 PHE 290 -8.652 30.210 45.461 1.00 59.76 C ATOM 33 CE2 PHE 290 -9.719 28.098 45.265 1.00 59.76 C ATOM 34 CZ PHE 290 -9.705 29.449 45.017 1.00 59.76 C ATOM 35 C PHE 290 -4.185 26.928 46.720 1.00 59.76 C ATOM 36 O PHE 290 -4.106 25.888 47.372 1.00 59.76 O ATOM 37 N THR 291 -3.147 27.776 46.582 1.00105.04 N ATOM 38 CA THR 291 -1.873 27.438 47.146 1.00105.04 C ATOM 39 CB THR 291 -0.740 27.492 46.161 1.00105.04 C ATOM 40 OG1 THR 291 0.477 27.104 46.780 1.00105.04 O ATOM 41 CG2 THR 291 -0.634 28.927 45.627 1.00105.04 C ATOM 42 C THR 291 -1.553 28.384 48.259 1.00105.04 C ATOM 43 O THR 291 -1.903 29.564 48.224 1.00105.04 O ATOM 44 N CYS 292 -0.890 27.846 49.302 1.00 45.60 N ATOM 45 CA CYS 292 -0.499 28.593 50.463 1.00 45.60 C ATOM 46 CB CYS 292 -0.221 27.693 51.683 1.00 45.60 C ATOM 47 SG CYS 292 0.278 28.631 53.159 1.00 45.60 S ATOM 48 C CYS 292 0.745 29.361 50.149 1.00 45.60 C ATOM 49 O CYS 292 1.708 28.831 49.599 1.00 45.60 O ATOM 50 N VAL 293 0.751 30.656 50.508 1.00 37.88 N ATOM 51 CA VAL 293 1.875 31.498 50.234 1.00 37.88 C ATOM 52 CB VAL 293 1.637 32.927 50.617 1.00 37.88 C ATOM 53 CG1 VAL 293 2.935 33.719 50.379 1.00 37.88 C ATOM 54 CG2 VAL 293 0.432 33.446 49.814 1.00 37.88 C ATOM 55 C VAL 293 3.049 31.031 51.031 1.00 37.88 C ATOM 56 O VAL 293 4.182 31.055 50.550 1.00 37.88 O ATOM 57 N GLN 294 2.818 30.629 52.295 1.00150.32 N ATOM 58 CA GLN 294 3.947 30.302 53.118 1.00150.32 C ATOM 59 CB GLN 294 3.526 30.024 54.577 1.00150.32 C ATOM 60 CG GLN 294 3.013 31.247 55.342 1.00150.32 C ATOM 61 CD GLN 294 4.210 31.949 55.958 1.00150.32 C ATOM 62 OE1 GLN 294 4.373 33.162 55.824 1.00150.32 O ATOM 63 NE2 GLN 294 5.069 31.160 56.658 1.00150.32 N ATOM 64 C GLN 294 4.695 29.083 52.637 1.00150.32 C ATOM 65 O GLN 294 5.857 29.194 52.246 1.00150.32 O ATOM 66 N CYS 295 4.050 27.891 52.681 1.00 72.68 N ATOM 67 CA CYS 295 4.643 26.623 52.313 1.00 72.68 C ATOM 68 CB CYS 295 4.044 25.422 53.068 1.00 72.68 C ATOM 69 SG CYS 295 2.259 25.215 52.814 1.00 72.68 S ATOM 70 C CYS 295 4.615 26.315 50.843 1.00 72.68 C ATOM 71 O CYS 295 5.546 25.713 50.309 1.00 72.68 O ATOM 72 N GLY 296 3.535 26.710 50.143 1.00 31.10 N ATOM 73 CA GLY 296 3.400 26.350 48.762 1.00 31.10 C ATOM 74 C GLY 296 2.490 25.154 48.649 1.00 31.10 C ATOM 75 O GLY 296 2.311 24.618 47.557 1.00 31.10 O ATOM 76 N LYS 297 1.887 24.693 49.768 1.00114.65 N ATOM 77 CA LYS 297 0.986 23.566 49.722 1.00114.65 C ATOM 78 CB LYS 297 0.587 23.048 51.119 1.00114.65 C ATOM 79 CG LYS 297 -0.208 21.741 51.089 1.00114.65 C ATOM 80 CD LYS 297 -0.557 21.205 52.479 1.00114.65 C ATOM 81 CE LYS 297 0.659 21.047 53.395 1.00114.65 C ATOM 82 NZ LYS 297 1.248 19.700 53.223 1.00114.65 N ATOM 83 C LYS 297 -0.272 23.979 48.999 1.00114.65 C ATOM 84 O LYS 297 -0.730 25.115 49.118 1.00114.65 O ATOM 85 N SER 298 -0.877 23.051 48.220 1.00 51.83 N ATOM 86 CA SER 298 -2.051 23.393 47.459 1.00 51.83 C ATOM 87 CB SER 298 -1.933 23.059 45.962 1.00 51.83 C ATOM 88 OG SER 298 -0.946 23.878 45.351 1.00 51.83 O ATOM 89 C SER 298 -3.230 22.638 47.996 1.00 51.83 C ATOM 90 O SER 298 -3.093 21.535 48.521 1.00 51.83 O ATOM 91 N PHE 299 -4.438 23.238 47.874 1.00153.58 N ATOM 92 CA PHE 299 -5.625 22.643 48.423 1.00153.58 C ATOM 93 CB PHE 299 -6.144 23.390 49.664 1.00153.58 C ATOM 94 CG PHE 299 -5.220 23.150 50.811 1.00153.58 C ATOM 95 CD1 PHE 299 -4.128 23.960 51.034 1.00153.58 C ATOM 96 CD2 PHE 299 -5.456 22.102 51.676 1.00153.58 C ATOM 97 CE1 PHE 299 -3.288 23.720 52.099 1.00153.58 C ATOM 98 CE2 PHE 299 -4.622 21.856 52.744 1.00153.58 C ATOM 99 CZ PHE 299 -3.534 22.669 52.952 1.00153.58 C ATOM 100 C PHE 299 -6.736 22.676 47.420 1.00153.58 C ATOM 101 O PHE 299 -6.789 23.528 46.535 1.00153.58 O ATOM 102 N ASN 300 -7.650 21.695 47.546 1.00 98.38 N ATOM 103 CA ASN 300 -8.812 21.553 46.720 1.00 98.38 C ATOM 104 CB ASN 300 -9.514 20.206 46.966 1.00 98.38 C ATOM 105 CG ASN 300 -10.560 20.008 45.887 1.00 98.38 C ATOM 106 OD1 ASN 300 -11.700 20.447 46.023 1.00 98.38 O ATOM 107 ND2 ASN 300 -10.155 19.344 44.771 1.00 98.38 N ATOM 108 C ASN 300 -9.776 22.662 47.031 1.00 98.38 C ATOM 109 O ASN 300 -10.432 23.202 46.138 1.00 98.38 O ATOM 110 N PHE 301 -9.891 23.038 48.322 1.00 55.50 N ATOM 111 CA PHE 301 -10.850 24.051 48.669 1.00 55.50 C ATOM 112 CB PHE 301 -12.000 23.578 49.572 1.00 55.50 C ATOM 113 CG PHE 301 -13.048 22.951 48.717 1.00 55.50 C ATOM 114 CD1 PHE 301 -13.008 21.615 48.386 1.00 55.50 C ATOM 115 CD2 PHE 301 -14.079 23.725 48.241 1.00 55.50 C ATOM 116 CE1 PHE 301 -13.991 21.063 47.597 1.00 55.50 C ATOM 117 CE2 PHE 301 -15.064 23.178 47.452 1.00 55.50 C ATOM 118 CZ PHE 301 -15.022 21.845 47.130 1.00 55.50 C ATOM 119 C PHE 301 -10.220 25.219 49.353 1.00 55.50 C ATOM 120 O PHE 301 -9.217 25.107 50.058 1.00 55.50 O ATOM 121 N SER 302 -10.854 26.390 49.135 1.00 69.87 N ATOM 122 CA SER 302 -10.472 27.664 49.666 1.00 69.87 C ATOM 123 CB SER 302 -11.419 28.782 49.200 1.00 69.87 C ATOM 124 OG SER 302 -12.738 28.529 49.665 1.00 69.87 O ATOM 125 C SER 302 -10.562 27.614 51.153 1.00 69.87 C ATOM 126 O SER 302 -9.666 28.097 51.842 1.00 69.87 O ATOM 127 N SER 303 -11.642 27.001 51.675 1.00 27.37 N ATOM 128 CA SER 303 -11.885 26.949 53.088 1.00 27.37 C ATOM 129 CB SER 303 -13.196 26.223 53.449 1.00 27.37 C ATOM 130 OG SER 303 -13.092 24.841 53.138 1.00 27.37 O ATOM 131 C SER 303 -10.776 26.212 53.763 1.00 27.37 C ATOM 132 O SER 303 -10.318 26.623 54.828 1.00 27.37 O ATOM 133 N ASN 304 -10.322 25.096 53.167 1.00 39.65 N ATOM 134 CA ASN 304 -9.293 24.322 53.788 1.00 39.65 C ATOM 135 CB ASN 304 -9.064 22.971 53.104 1.00 39.65 C ATOM 136 CG ASN 304 -10.281 22.126 53.459 1.00 39.65 C ATOM 137 OD1 ASN 304 -11.059 22.477 54.344 1.00 39.65 O ATOM 138 ND2 ASN 304 -10.453 20.980 52.749 1.00 39.65 N ATOM 139 C ASN 304 -8.011 25.095 53.817 1.00 39.65 C ATOM 140 O ASN 304 -7.267 25.016 54.791 1.00 39.65 O ATOM 141 N LEU 305 -7.717 25.866 52.755 1.00110.02 N ATOM 142 CA LEU 305 -6.494 26.612 52.695 1.00110.02 C ATOM 143 CB LEU 305 -6.360 27.324 51.332 1.00110.02 C ATOM 144 CG LEU 305 -5.095 28.182 51.140 1.00110.02 C ATOM 145 CD1 LEU 305 -5.216 29.530 51.862 1.00110.02 C ATOM 146 CD2 LEU 305 -3.831 27.404 51.550 1.00110.02 C ATOM 147 C LEU 305 -6.483 27.612 53.817 1.00110.02 C ATOM 148 O LEU 305 -5.476 27.789 54.502 1.00110.02 O ATOM 149 N TYR 306 -7.635 28.260 54.070 1.00139.57 N ATOM 150 CA TYR 306 -7.731 29.279 55.080 1.00139.57 C ATOM 151 CB TYR 306 -9.140 29.906 55.128 1.00139.57 C ATOM 152 CG TYR 306 -9.175 30.994 56.150 1.00139.57 C ATOM 153 CD1 TYR 306 -8.619 32.224 55.881 1.00139.57 C ATOM 154 CD2 TYR 306 -9.783 30.792 57.369 1.00139.57 C ATOM 155 CE1 TYR 306 -8.656 33.232 56.817 1.00139.57 C ATOM 156 CE2 TYR 306 -9.823 31.797 58.306 1.00139.57 C ATOM 157 CZ TYR 306 -9.260 33.018 58.036 1.00139.57 C ATOM 158 OH TYR 306 -9.308 34.043 59.004 1.00139.57 O ATOM 159 C TYR 306 -7.417 28.666 56.410 1.00139.57 C ATOM 160 O TYR 306 -6.686 29.245 57.214 1.00139.57 O ATOM 161 N GLN 307 -7.956 27.465 56.689 1.00 68.05 N ATOM 162 CA GLN 307 -7.702 26.832 57.952 1.00 68.05 C ATOM 163 CB GLN 307 -8.499 25.536 58.170 1.00 68.05 C ATOM 164 CG GLN 307 -8.377 24.995 59.598 1.00 68.05 C ATOM 165 CD GLN 307 -9.197 23.720 59.707 1.00 68.05 C ATOM 166 OE1 GLN 307 -10.211 23.554 59.030 1.00 68.05 O ATOM 167 NE2 GLN 307 -8.728 22.785 60.576 1.00 68.05 N ATOM 168 C GLN 307 -6.245 26.482 58.041 1.00 68.05 C ATOM 169 O GLN 307 -5.639 26.584 59.107 1.00 68.05 O ATOM 170 N HIS 308 -5.642 26.048 56.913 1.00 65.34 N ATOM 171 CA HIS 308 -4.265 25.638 56.907 1.00 65.34 C ATOM 172 ND1 HIS 308 -1.829 23.649 56.376 1.00 65.34 N ATOM 173 CG HIS 308 -2.331 24.700 55.636 1.00 65.34 C ATOM 174 CB HIS 308 -3.783 25.068 55.566 1.00 65.34 C ATOM 175 NE2 HIS 308 -0.085 24.653 55.428 1.00 65.34 N ATOM 176 CD2 HIS 308 -1.255 25.300 55.065 1.00 65.34 C ATOM 177 CE1 HIS 308 -0.482 23.669 56.216 1.00 65.34 C ATOM 178 C HIS 308 -3.398 26.812 57.233 1.00 65.34 C ATOM 179 O HIS 308 -2.378 26.672 57.907 1.00 65.34 O ATOM 180 N MET 309 -3.794 28.012 56.777 1.00 65.40 N ATOM 181 CA MET 309 -3.008 29.185 57.021 1.00 65.40 C ATOM 182 CB MET 309 -3.653 30.472 56.492 1.00 65.40 C ATOM 183 CG MET 309 -3.668 30.588 54.969 1.00 65.40 C ATOM 184 SD MET 309 -4.610 32.023 54.370 1.00 65.40 S ATOM 185 CE MET 309 -3.897 32.040 52.700 1.00 65.40 C ATOM 186 C MET 309 -2.899 29.358 58.500 1.00 65.40 C ATOM 187 O MET 309 -1.866 29.795 59.005 1.00 65.40 O ATOM 188 N MET 310 -3.961 29.004 59.241 1.00 61.48 N ATOM 189 CA MET 310 -3.980 29.217 60.656 1.00 61.48 C ATOM 190 CB MET 310 -5.276 28.722 61.327 1.00 61.48 C ATOM 191 CG MET 310 -6.521 29.559 61.009 1.00 61.48 C ATOM 192 SD MET 310 -8.033 28.949 61.807 1.00 61.48 S ATOM 193 CE MET 310 -9.079 30.304 61.200 1.00 61.48 C ATOM 194 C MET 310 -2.854 28.466 61.296 1.00 61.48 C ATOM 195 O MET 310 -2.254 28.968 62.242 1.00 61.48 O ATOM 196 N ILE 311 -2.524 27.251 60.821 1.00 89.06 N ATOM 197 CA ILE 311 -1.504 26.507 61.506 1.00 89.06 C ATOM 198 CB ILE 311 -1.306 25.101 61.016 1.00 89.06 C ATOM 199 CG1 ILE 311 -0.522 24.320 62.085 1.00 89.06 C ATOM 200 CG2 ILE 311 -0.634 25.135 59.631 1.00 89.06 C ATOM 201 CD1 ILE 311 -0.601 22.804 61.925 1.00 89.06 C ATOM 202 C ILE 311 -0.194 27.236 61.448 1.00 89.06 C ATOM 203 O ILE 311 0.545 27.242 62.430 1.00 89.06 O ATOM 204 N HIS 312 0.151 27.863 60.307 1.00 47.82 N ATOM 205 CA HIS 312 1.413 28.546 60.254 1.00 47.82 C ATOM 206 ND1 HIS 312 3.316 27.991 57.468 1.00 47.82 N ATOM 207 CG HIS 312 2.017 28.321 57.789 1.00 47.82 C ATOM 208 CB HIS 312 1.654 29.251 58.910 1.00 47.82 C ATOM 209 NE2 HIS 312 2.010 26.921 56.019 1.00 47.82 N ATOM 210 CD2 HIS 312 1.233 27.661 56.897 1.00 47.82 C ATOM 211 CE1 HIS 312 3.252 27.151 56.403 1.00 47.82 C ATOM 212 C HIS 312 1.438 29.595 61.323 1.00 47.82 C ATOM 213 O HIS 312 2.372 29.655 62.124 1.00 47.82 O ATOM 214 N THR 313 0.384 30.428 61.393 1.00 36.96 N ATOM 215 CA THR 313 0.347 31.472 62.376 1.00 36.96 C ATOM 216 CB THR 313 -0.822 32.392 62.228 1.00 36.96 C ATOM 217 OG1 THR 313 -2.040 31.669 62.341 1.00 36.96 O ATOM 218 CG2 THR 313 -0.718 33.076 60.853 1.00 36.96 C ATOM 219 C THR 313 0.306 30.867 63.744 1.00 36.96 C ATOM 220 O THR 313 0.910 31.399 64.673 1.00 36.96 O ATOM 221 N GLY 314 -0.390 29.727 63.914 1.00 24.57 N ATOM 222 CA GLY 314 -0.437 29.135 65.216 1.00 24.57 C ATOM 223 C GLY 314 -1.796 29.321 65.803 1.00 24.57 C ATOM 224 O GLY 314 -2.048 28.878 66.923 1.00 24.57 O ATOM 225 N GLU 315 -2.702 30.004 65.078 1.00 35.18 N ATOM 226 CA GLU 315 -4.039 30.118 65.576 1.00 35.18 C ATOM 227 CB GLU 315 -4.782 31.376 65.102 1.00 35.18 C ATOM 228 CG GLU 315 -4.238 32.700 65.644 1.00 35.18 C ATOM 229 CD GLU 315 -5.291 33.760 65.348 1.00 35.18 C ATOM 230 OE1 GLU 315 -6.337 33.761 66.051 1.00 35.18 O ATOM 231 OE2 GLU 315 -5.066 34.575 64.412 1.00 35.18 O ATOM 232 C GLU 315 -4.801 28.920 65.007 1.00 35.18 C ATOM 233 O GLU 315 -4.513 27.767 65.425 1.00 35.18 O ATOM 234 OXT GLU 315 -5.684 29.147 64.136 1.00 35.18 O