EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:08:02 REMARK 6 MODELLER OBJECTIVE FUNCTION: 104.6741 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 50.000 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1585.63916 REMARK 6 GA341 score: 0.97521 REMARK 6 Normalized DOPE score: -0.86570 REMARK 6 TEMPLATE: 2i13A02 75:A - 100:A MODELS 1: - 26: AT 50.0% ATOM 1 N GLU 233 -19.465 20.157 53.456 1.00 54.88 N ATOM 2 CA GLU 233 -19.473 21.347 54.335 1.00 54.88 C ATOM 3 CB GLU 233 -20.837 21.494 55.022 1.00 54.88 C ATOM 4 CG GLU 233 -21.187 20.291 55.897 1.00 54.88 C ATOM 5 CD GLU 233 -22.507 20.572 56.601 1.00 54.88 C ATOM 6 OE1 GLU 233 -23.004 21.727 56.493 1.00 54.88 O ATOM 7 OE2 GLU 233 -23.030 19.639 57.262 1.00 54.88 O ATOM 8 C GLU 233 -18.440 21.232 55.404 1.00 54.88 C ATOM 9 O GLU 233 -18.023 20.135 55.769 1.00 54.88 O ATOM 10 N LYS 234 -17.979 22.388 55.918 1.00136.83 N ATOM 11 CA LYS 234 -17.014 22.352 56.977 1.00136.83 C ATOM 12 CB LYS 234 -15.686 23.030 56.599 1.00136.83 C ATOM 13 CG LYS 234 -15.148 22.633 55.220 1.00136.83 C ATOM 14 CD LYS 234 -14.948 21.133 54.998 1.00136.83 C ATOM 15 CE LYS 234 -14.448 20.797 53.589 1.00136.83 C ATOM 16 NZ LYS 234 -15.386 21.327 52.572 1.00136.83 N ATOM 17 C LYS 234 -17.603 23.166 58.087 1.00136.83 C ATOM 18 O LYS 234 -17.577 24.396 58.058 1.00136.83 O ATOM 19 N PRO 235 -18.154 22.501 59.056 1.00105.12 N ATOM 20 CA PRO 235 -18.797 23.197 60.139 1.00105.12 C ATOM 21 CD PRO 235 -18.800 21.229 58.768 1.00105.12 C ATOM 22 CB PRO 235 -19.682 22.158 60.829 1.00105.12 C ATOM 23 CG PRO 235 -20.015 21.158 59.706 1.00105.12 C ATOM 24 C PRO 235 -17.911 23.950 61.091 1.00105.12 C ATOM 25 O PRO 235 -18.413 24.871 61.736 1.00105.12 O ATOM 26 N PHE 236 -16.614 23.609 61.217 1.00 57.23 N ATOM 27 CA PHE 236 -15.858 24.278 62.241 1.00 57.23 C ATOM 28 CB PHE 236 -15.051 23.308 63.118 1.00 57.23 C ATOM 29 CG PHE 236 -16.064 22.459 63.807 1.00 57.23 C ATOM 30 CD1 PHE 236 -16.702 22.907 64.940 1.00 57.23 C ATOM 31 CD2 PHE 236 -16.380 21.213 63.317 1.00 57.23 C ATOM 32 CE1 PHE 236 -17.640 22.126 65.574 1.00 57.23 C ATOM 33 CE2 PHE 236 -17.317 20.426 63.944 1.00 57.23 C ATOM 34 CZ PHE 236 -17.948 20.882 65.077 1.00 57.23 C ATOM 35 C PHE 236 -14.922 25.263 61.620 1.00 57.23 C ATOM 36 O PHE 236 -14.122 24.918 60.751 1.00 57.23 O ATOM 37 N THR 237 -14.985 26.528 62.088 1.00 98.71 N ATOM 38 CA THR 237 -14.193 27.572 61.503 1.00 98.71 C ATOM 39 CB THR 237 -15.007 28.761 61.088 1.00 98.71 C ATOM 40 OG1 THR 237 -14.201 29.689 60.377 1.00 98.71 O ATOM 41 CG2 THR 237 -15.583 29.421 62.351 1.00 98.71 C ATOM 42 C THR 237 -13.186 28.067 62.491 1.00 98.71 C ATOM 43 O THR 237 -13.478 28.216 63.677 1.00 98.71 O ATOM 44 N CYS 238 -11.955 28.319 61.998 1.00 46.00 N ATOM 45 CA CYS 238 -10.869 28.834 62.786 1.00 46.00 C ATOM 46 CB CYS 238 -9.501 28.661 62.096 1.00 46.00 C ATOM 47 SG CYS 238 -8.109 29.304 63.074 1.00 46.00 S ATOM 48 C CYS 238 -11.096 30.300 62.977 1.00 46.00 C ATOM 49 O CYS 238 -11.321 31.034 62.019 1.00 46.00 O ATOM 50 N THR 239 -11.022 30.773 64.235 1.00103.94 N ATOM 51 CA THR 239 -11.278 32.160 64.490 1.00103.94 C ATOM 52 CB THR 239 -11.299 32.497 65.956 1.00103.94 C ATOM 53 OG1 THR 239 -11.655 33.860 66.134 1.00103.94 O ATOM 54 CG2 THR 239 -9.914 32.225 66.566 1.00103.94 C ATOM 55 C THR 239 -10.230 33.007 63.841 1.00103.94 C ATOM 56 O THR 239 -10.533 34.064 63.287 1.00103.94 O ATOM 57 N GLN 240 -8.954 32.588 63.935 1.00110.58 N ATOM 58 CA GLN 240 -7.908 33.438 63.444 1.00110.58 C ATOM 59 CB GLN 240 -6.521 32.945 63.891 1.00110.58 C ATOM 60 CG GLN 240 -5.367 33.827 63.413 1.00110.58 C ATOM 61 CD GLN 240 -5.404 35.117 64.218 1.00110.58 C ATOM 62 OE1 GLN 240 -5.426 35.097 65.447 1.00110.58 O ATOM 63 NE2 GLN 240 -5.429 36.273 63.502 1.00110.58 N ATOM 64 C GLN 240 -7.882 33.552 61.947 1.00110.58 C ATOM 65 O GLN 240 -7.969 34.652 61.402 1.00110.58 O ATOM 66 N CYS 241 -7.728 32.401 61.262 1.00112.02 N ATOM 67 CA CYS 241 -7.587 32.269 59.834 1.00112.02 C ATOM 68 CB CYS 241 -6.988 30.893 59.503 1.00112.02 C ATOM 69 SG CYS 241 -6.762 30.596 57.733 1.00112.02 S ATOM 70 C CYS 241 -8.885 32.412 59.096 1.00112.02 C ATOM 71 O CYS 241 -8.950 33.060 58.052 1.00112.02 O ATOM 72 N GLY 242 -9.959 31.797 59.624 1.00 25.59 N ATOM 73 CA GLY 242 -11.225 31.822 58.952 1.00 25.59 C ATOM 74 C GLY 242 -11.368 30.564 58.145 1.00 25.59 C ATOM 75 O GLY 242 -12.386 30.369 57.484 1.00 25.59 O ATOM 76 N LYS 243 -10.355 29.671 58.168 1.00 85.73 N ATOM 77 CA LYS 243 -10.466 28.458 57.405 1.00 85.73 C ATOM 78 CB LYS 243 -9.128 27.740 57.161 1.00 85.73 C ATOM 79 CG LYS 243 -9.286 26.477 56.313 1.00 85.73 C ATOM 80 CD LYS 243 -7.992 26.003 55.652 1.00 85.73 C ATOM 81 CE LYS 243 -7.703 26.735 54.340 1.00 85.73 C ATOM 82 NZ LYS 243 -6.434 26.253 53.753 1.00 85.73 N ATOM 83 C LYS 243 -11.395 27.519 58.112 1.00 85.73 C ATOM 84 O LYS 243 -11.465 27.501 59.340 1.00 85.73 O ATOM 85 N SER 244 -12.139 26.701 57.331 1.00 55.75 N ATOM 86 CA SER 244 -13.108 25.813 57.918 1.00 55.75 C ATOM 87 CB SER 244 -14.521 25.957 57.324 1.00 55.75 C ATOM 88 OG SER 244 -15.066 27.228 57.647 1.00 55.75 O ATOM 89 C SER 244 -12.679 24.390 57.719 1.00 55.75 C ATOM 90 O SER 244 -11.958 24.066 56.777 1.00 55.75 O ATOM 91 N PHE 245 -13.119 23.494 58.632 1.00145.57 N ATOM 92 CA PHE 245 -12.710 22.118 58.564 1.00145.57 C ATOM 93 CB PHE 245 -11.674 21.755 59.642 1.00145.57 C ATOM 94 CG PHE 245 -10.428 22.518 59.340 1.00145.57 C ATOM 95 CD1 PHE 245 -10.263 23.803 59.810 1.00145.57 C ATOM 96 CD2 PHE 245 -9.428 21.956 58.580 1.00145.57 C ATOM 97 CE1 PHE 245 -9.119 24.512 59.529 1.00145.57 C ATOM 98 CE2 PHE 245 -8.280 22.660 58.296 1.00145.57 C ATOM 99 CZ PHE 245 -8.123 23.939 58.773 1.00145.57 C ATOM 100 C PHE 245 -13.898 21.224 58.767 1.00145.57 C ATOM 101 O PHE 245 -14.905 21.612 59.355 1.00145.57 O ATOM 102 N ASN 246 -13.800 19.988 58.237 1.00 98.27 N ATOM 103 CA ASN 246 -14.826 18.992 58.341 1.00 98.27 C ATOM 104 CB ASN 246 -14.551 17.759 57.465 1.00 98.27 C ATOM 105 CG ASN 246 -14.788 18.151 56.015 1.00 98.27 C ATOM 106 OD1 ASN 246 -15.896 18.529 55.637 1.00 98.27 O ATOM 107 ND2 ASN 246 -13.717 18.070 55.182 1.00 98.27 N ATOM 108 C ASN 246 -14.937 18.521 59.760 1.00 98.27 C ATOM 109 O ASN 246 -16.039 18.253 60.236 1.00 98.27 O ATOM 110 N CYS 247 -13.801 18.390 60.482 1.00 36.69 N ATOM 111 CA CYS 247 -13.902 17.859 61.816 1.00 36.69 C ATOM 112 CB CYS 247 -13.239 16.481 61.987 1.00 36.69 C ATOM 113 SG CYS 247 -14.093 15.181 61.045 1.00 36.69 S ATOM 114 C CYS 247 -13.283 18.782 62.823 1.00 36.69 C ATOM 115 O CYS 247 -12.345 19.524 62.537 1.00 36.69 O ATOM 116 N SER 248 -13.825 18.723 64.059 1.00 66.14 N ATOM 117 CA SER 248 -13.420 19.555 65.158 1.00 66.14 C ATOM 118 CB SER 248 -14.278 19.337 66.415 1.00 66.14 C ATOM 119 OG SER 248 -13.825 20.182 67.463 1.00 66.14 O ATOM 120 C SER 248 -12.009 19.256 65.544 1.00 66.14 C ATOM 121 O SER 248 -11.233 20.169 65.826 1.00 66.14 O ATOM 122 N SER 249 -11.629 17.964 65.565 1.00 20.43 N ATOM 123 CA SER 249 -10.312 17.608 66.004 1.00 20.43 C ATOM 124 CB SER 249 -10.092 16.086 66.060 1.00 20.43 C ATOM 125 OG SER 249 -10.127 15.534 64.753 1.00 20.43 O ATOM 126 C SER 249 -9.310 18.177 65.056 1.00 20.43 C ATOM 127 O SER 249 -8.231 18.606 65.465 1.00 20.43 O ATOM 128 N HIS 250 -9.645 18.186 63.755 1.00 57.09 N ATOM 129 CA HIS 250 -8.742 18.677 62.757 1.00 57.09 C ATOM 130 ND1 HIS 250 -8.319 16.260 60.470 1.00 57.09 N ATOM 131 CG HIS 250 -9.365 17.004 60.968 1.00 57.09 C ATOM 132 CB HIS 250 -9.264 18.458 61.327 1.00 57.09 C ATOM 133 NE2 HIS 250 -10.059 14.886 60.610 1.00 57.09 N ATOM 134 CD2 HIS 250 -10.420 16.147 61.048 1.00 57.09 C ATOM 135 CE1 HIS 250 -8.788 15.002 60.273 1.00 57.09 C ATOM 136 C HIS 250 -8.538 20.145 62.966 1.00 57.09 C ATOM 137 O HIS 250 -7.423 20.647 62.833 1.00 57.09 O ATOM 138 N LEU 251 -9.616 20.880 63.300 1.00105.08 N ATOM 139 CA LEU 251 -9.485 22.297 63.468 1.00105.08 C ATOM 140 CB LEU 251 -10.835 22.979 63.763 1.00105.08 C ATOM 141 CG LEU 251 -10.858 24.514 63.593 1.00105.08 C ATOM 142 CD1 LEU 251 -12.215 25.082 64.015 1.00105.08 C ATOM 143 CD2 LEU 251 -9.688 25.228 64.281 1.00105.08 C ATOM 144 C LEU 251 -8.563 22.523 64.631 1.00105.08 C ATOM 145 O LEU 251 -7.688 23.386 64.589 1.00105.08 O ATOM 146 N ASN 252 -8.705 21.710 65.695 1.00 73.33 N ATOM 147 CA ASN 252 -7.908 21.899 66.876 1.00 73.33 C ATOM 148 CB ASN 252 -8.193 20.868 67.980 1.00 73.33 C ATOM 149 CG ASN 252 -7.292 21.213 69.156 1.00 73.33 C ATOM 150 OD1 ASN 252 -6.129 20.813 69.212 1.00 73.33 O ATOM 151 ND2 ASN 252 -7.840 21.991 70.123 1.00 73.33 N ATOM 152 C ASN 252 -6.460 21.776 66.524 1.00 73.33 C ATOM 153 O ASN 252 -5.629 22.542 67.009 1.00 73.33 O ATOM 154 N LYS 253 -6.114 20.803 65.665 1.00 77.63 N ATOM 155 CA LYS 253 -4.741 20.603 65.297 1.00 77.63 C ATOM 156 CB LYS 253 -4.569 19.422 64.325 1.00 77.63 C ATOM 157 CG LYS 253 -5.126 18.102 64.868 1.00 77.63 C ATOM 158 CD LYS 253 -4.480 17.640 66.174 1.00 77.63 C ATOM 159 CE LYS 253 -5.063 16.331 66.710 1.00 77.63 C ATOM 160 NZ LYS 253 -4.366 15.939 67.957 1.00 77.63 N ATOM 161 C LYS 253 -4.278 21.843 64.594 1.00 77.63 C ATOM 162 O LYS 253 -3.160 22.313 64.807 1.00 77.63 O ATOM 163 N HIS 254 -5.156 22.412 63.747 1.00 54.71 N ATOM 164 CA HIS 254 -4.865 23.571 62.951 1.00 54.71 C ATOM 165 ND1 HIS 254 -5.065 25.037 59.970 1.00 54.71 N ATOM 166 CG HIS 254 -5.781 25.118 61.144 1.00 54.71 C ATOM 167 CB HIS 254 -6.050 23.951 62.046 1.00 54.71 C ATOM 168 NE2 HIS 254 -5.715 27.154 60.174 1.00 54.71 N ATOM 169 CD2 HIS 254 -6.169 26.418 61.255 1.00 54.71 C ATOM 170 CE1 HIS 254 -5.058 26.283 59.431 1.00 54.71 C ATOM 171 C HIS 254 -4.582 24.742 63.840 1.00 54.71 C ATOM 172 O HIS 254 -3.665 25.519 63.578 1.00 54.71 O ATOM 173 N LYS 255 -5.353 24.887 64.931 1.00129.05 N ATOM 174 CA LYS 255 -5.206 25.999 65.827 1.00129.05 C ATOM 175 CB LYS 255 -6.195 25.958 67.007 1.00129.05 C ATOM 176 CG LYS 255 -7.654 26.177 66.602 1.00129.05 C ATOM 177 CD LYS 255 -7.929 27.560 66.004 1.00129.05 C ATOM 178 CE LYS 255 -8.349 28.612 67.035 1.00129.05 C ATOM 179 NZ LYS 255 -7.160 29.143 67.738 1.00129.05 N ATOM 180 C LYS 255 -3.822 25.973 66.403 1.00129.05 C ATOM 181 O LYS 255 -3.230 27.019 66.661 1.00129.05 O ATOM 182 N ARG 256 -3.256 24.769 66.599 1.00 86.88 N ATOM 183 CA ARG 256 -1.963 24.648 67.207 1.00 86.88 C ATOM 184 CB ARG 256 -1.445 23.202 67.253 1.00 86.88 C ATOM 185 CG ARG 256 -2.286 22.251 68.101 1.00 86.88 C ATOM 186 CD ARG 256 -1.670 20.855 68.188 1.00 86.88 C ATOM 187 NE ARG 256 -2.591 20.007 68.991 1.00 86.88 N ATOM 188 CZ ARG 256 -2.239 18.720 69.269 1.00 86.88 C ATOM 189 NH1 ARG 256 -1.041 18.239 68.831 1.00 86.88 N ATOM 190 NH2 ARG 256 -3.083 17.917 69.981 1.00 86.88 N ATOM 191 C ARG 256 -0.974 25.403 66.379 1.00 86.88 C ATOM 192 O ARG 256 -0.056 26.024 66.912 1.00 86.88 O ATOM 193 N ILE 257 -1.146 25.381 65.046 1.00 25.76 N ATOM 194 CA ILE 257 -0.193 26.018 64.187 1.00 25.76 C ATOM 195 CB ILE 257 -0.572 25.962 62.734 1.00 25.76 C ATOM 196 CG1 ILE 257 -0.625 24.503 62.249 1.00 25.76 C ATOM 197 CG2 ILE 257 0.422 26.834 61.948 1.00 25.76 C ATOM 198 CD1 ILE 257 -1.240 24.345 60.858 1.00 25.76 C ATOM 199 C ILE 257 -0.117 27.456 64.571 1.00 25.76 C ATOM 200 O ILE 257 0.976 28.016 64.660 1.00 25.76 O ATOM 201 N HIS 258 -1.271 28.101 64.820 1.00 33.10 N ATOM 202 CA HIS 258 -1.236 29.483 65.202 1.00 33.10 C ATOM 203 ND1 HIS 258 -2.839 31.021 62.824 1.00 33.10 N ATOM 204 CG HIS 258 -3.252 30.188 63.841 1.00 33.10 C ATOM 205 CB HIS 258 -2.622 30.150 65.204 1.00 33.10 C ATOM 206 NE2 HIS 258 -4.541 29.836 62.020 1.00 33.10 N ATOM 207 CD2 HIS 258 -4.293 29.471 63.332 1.00 33.10 C ATOM 208 CE1 HIS 258 -3.643 30.769 61.760 1.00 33.10 C ATOM 209 C HIS 258 -0.668 29.571 66.623 1.00 33.10 C ATOM 210 O HIS 258 -1.108 30.469 67.389 1.00 33.10 O ATOM 211 OXT HIS 258 0.220 28.745 66.967 1.00 33.10 O