EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:16:31 REMARK 6 MODELLER OBJECTIVE FUNCTION: 133.2253 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 37.500 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1344.89417 REMARK 6 GA341 score: 0.99240 REMARK 6 Normalized DOPE score: -0.88670 REMARK 6 TEMPLATE: 4d90A01 33:A - 61:A MODELS 1: - 28: AT 37.5% ATOM 1 N SER 228 31.298 0.323 23.654 1.00 72.01 N ATOM 2 CA SER 228 32.644 0.553 24.215 1.00 72.01 C ATOM 3 CB SER 228 32.968 -0.517 25.275 1.00 72.01 C ATOM 4 OG SER 228 32.853 -1.823 24.728 1.00 72.01 O ATOM 5 C SER 228 33.689 0.565 23.149 1.00 72.01 C ATOM 6 O SER 228 33.943 1.598 22.532 1.00 72.01 O ATOM 7 N GLY 229 34.322 -0.592 22.891 1.00 16.53 N ATOM 8 CA GLY 229 35.344 -0.626 21.895 1.00 16.53 C ATOM 9 C GLY 229 36.616 -0.277 22.580 1.00 16.53 C ATOM 10 O GLY 229 37.660 -0.130 21.946 1.00 16.53 O ATOM 11 N GLY 230 36.557 -0.132 23.917 1.00 20.90 N ATOM 12 CA GLY 230 37.758 0.160 24.629 1.00 20.90 C ATOM 13 C GLY 230 38.581 -1.074 24.547 1.00 20.90 C ATOM 14 O GLY 230 38.053 -2.175 24.409 1.00 20.90 O ATOM 15 N THR 231 39.910 -0.913 24.630 1.00 30.66 N ATOM 16 CA THR 231 40.780 -2.040 24.522 1.00 30.66 C ATOM 17 CB THR 231 42.205 -1.669 24.265 1.00 30.66 C ATOM 18 OG1 THR 231 42.308 -0.905 23.073 1.00 30.66 O ATOM 19 CG2 THR 231 43.028 -2.963 24.148 1.00 30.66 C ATOM 20 C THR 231 40.786 -2.744 25.832 1.00 30.66 C ATOM 21 O THR 231 40.673 -2.116 26.883 1.00 30.66 O ATOM 22 N CYS 232 40.896 -4.085 25.788 1.00 88.39 N ATOM 23 CA CYS 232 41.036 -4.844 26.992 1.00 88.39 C ATOM 24 CB CYS 232 40.084 -6.052 27.085 1.00 88.39 C ATOM 25 SG CYS 232 38.338 -5.566 27.216 1.00 88.39 S ATOM 26 C CYS 232 42.429 -5.377 26.932 1.00 88.39 C ATOM 27 O CYS 232 42.771 -6.129 26.021 1.00 88.39 O ATOM 28 N VAL 233 43.277 -4.992 27.901 1.00 94.08 N ATOM 29 CA VAL 233 44.628 -5.444 27.813 1.00 94.08 C ATOM 30 CB VAL 233 45.655 -4.367 28.013 1.00 94.08 C ATOM 31 CG1 VAL 233 45.584 -3.855 29.461 1.00 94.08 C ATOM 32 CG2 VAL 233 47.024 -4.950 27.622 1.00 94.08 C ATOM 33 C VAL 233 44.861 -6.471 28.866 1.00 94.08 C ATOM 34 O VAL 233 44.442 -6.313 30.013 1.00 94.08 O ATOM 35 N GLN 234 45.517 -7.567 28.458 1.00111.79 N ATOM 36 CA GLN 234 45.849 -8.607 29.375 1.00111.79 C ATOM 37 CB GLN 234 45.329 -9.982 28.904 1.00111.79 C ATOM 38 CG GLN 234 45.607 -11.114 29.888 1.00111.79 C ATOM 39 CD GLN 234 44.882 -12.363 29.402 1.00111.79 C ATOM 40 OE1 GLN 234 44.622 -12.533 28.212 1.00111.79 O ATOM 41 NE2 GLN 234 44.540 -13.269 30.358 1.00111.79 N ATOM 42 C GLN 234 47.343 -8.660 29.402 1.00111.79 C ATOM 43 O GLN 234 47.966 -9.299 28.556 1.00111.79 O ATOM 44 N THR 235 47.964 -7.958 30.369 1.00122.51 N ATOM 45 CA THR 235 49.394 -7.950 30.458 1.00122.51 C ATOM 46 CB THR 235 49.901 -6.982 31.496 1.00122.51 C ATOM 47 OG1 THR 235 51.321 -7.010 31.546 1.00122.51 O ATOM 48 CG2 THR 235 49.294 -7.314 32.875 1.00122.51 C ATOM 49 C THR 235 49.878 -9.325 30.785 1.00122.51 C ATOM 50 O THR 235 50.741 -9.875 30.101 1.00122.51 O ATOM 51 N SER 236 49.295 -9.937 31.830 1.00197.73 N ATOM 52 CA SER 236 49.703 -11.229 32.281 1.00197.73 C ATOM 53 CB SER 236 51.099 -11.261 32.927 1.00197.73 C ATOM 54 OG SER 236 52.100 -11.074 31.940 1.00197.73 O ATOM 55 C SER 236 48.726 -11.616 33.335 1.00197.73 C ATOM 56 O SER 236 47.627 -11.066 33.400 1.00197.73 O ATOM 57 N ASP 237 49.095 -12.592 34.184 1.00193.12 N ATOM 58 CA ASP 237 48.186 -12.963 35.218 1.00193.12 C ATOM 59 CB ASP 237 48.593 -14.248 35.953 1.00193.12 C ATOM 60 CG ASP 237 47.403 -14.692 36.787 1.00193.12 C ATOM 61 OD1 ASP 237 46.463 -13.869 36.948 1.00193.12 O ATOM 62 OD2 ASP 237 47.414 -15.857 37.267 1.00193.12 O ATOM 63 C ASP 237 48.209 -11.847 36.204 1.00193.12 C ATOM 64 O ASP 237 49.026 -11.828 37.124 1.00193.12 O ATOM 65 N THR 238 47.299 -10.872 36.010 1.00257.86 N ATOM 66 CA THR 238 47.240 -9.728 36.866 1.00257.86 C ATOM 67 CB THR 238 48.131 -8.596 36.435 1.00257.86 C ATOM 68 OG1 THR 238 47.771 -8.150 35.137 1.00257.86 O ATOM 69 CG2 THR 238 49.595 -9.074 36.442 1.00257.86 C ATOM 70 C THR 238 45.831 -9.228 36.866 1.00257.86 C ATOM 71 O THR 238 44.877 -10.005 36.852 1.00257.86 O ATOM 72 N THR 239 45.678 -7.888 36.881 1.00189.58 N ATOM 73 CA THR 239 44.383 -7.283 36.964 1.00189.58 C ATOM 74 CB THR 239 44.397 -5.903 37.559 1.00189.58 C ATOM 75 OG1 THR 239 45.104 -5.013 36.710 1.00189.58 O ATOM 76 CG2 THR 239 45.072 -5.947 38.943 1.00189.58 C ATOM 77 C THR 239 43.859 -7.128 35.575 1.00189.58 C ATOM 78 O THR 239 44.609 -6.883 34.632 1.00189.58 O ATOM 79 N HIS 240 42.531 -7.296 35.424 1.00101.39 N ATOM 80 CA HIS 240 41.907 -7.180 34.145 1.00101.39 C ATOM 81 ND1 HIS 240 40.720 -9.849 35.795 1.00101.39 N ATOM 82 CG HIS 240 40.878 -9.439 34.491 1.00101.39 C ATOM 83 CB HIS 240 40.636 -8.033 34.032 1.00101.39 C ATOM 84 NE2 HIS 240 41.402 -11.629 34.650 1.00101.39 N ATOM 85 CD2 HIS 240 41.295 -10.538 33.805 1.00101.39 C ATOM 86 CE1 HIS 240 41.048 -11.165 35.834 1.00101.39 C ATOM 87 C HIS 240 41.488 -5.758 34.035 1.00101.39 C ATOM 88 O HIS 240 40.709 -5.266 34.850 1.00101.39 O ATOM 89 N THR 241 42.022 -5.041 33.029 1.00 96.26 N ATOM 90 CA THR 241 41.644 -3.670 32.915 1.00 96.26 C ATOM 91 CB THR 241 42.728 -2.716 33.308 1.00 96.26 C ATOM 92 OG1 THR 241 42.193 -1.409 33.453 1.00 96.26 O ATOM 93 CG2 THR 241 43.807 -2.734 32.211 1.00 96.26 C ATOM 94 C THR 241 41.339 -3.399 31.485 1.00 96.26 C ATOM 95 O THR 241 41.699 -4.172 30.599 1.00 96.26 O ATOM 96 N CYS 242 40.626 -2.286 31.233 1.00 77.06 N ATOM 97 CA CYS 242 40.320 -1.919 29.887 1.00 77.06 C ATOM 98 CB CYS 242 38.827 -2.045 29.550 1.00 77.06 C ATOM 99 SG CYS 242 37.788 -1.120 30.715 1.00 77.06 S ATOM 100 C CYS 242 40.733 -0.496 29.698 1.00 77.06 C ATOM 101 O CYS 242 40.521 0.355 30.562 1.00 77.06 O ATOM 102 N SER 243 41.358 -0.199 28.545 1.00 78.25 N ATOM 103 CA SER 243 41.757 1.153 28.301 1.00 78.25 C ATOM 104 CB SER 243 43.028 1.256 27.439 1.00 78.25 C ATOM 105 OG SER 243 43.377 2.614 27.219 1.00 78.25 O ATOM 106 C SER 243 40.625 1.766 27.555 1.00 78.25 C ATOM 107 O SER 243 40.245 1.295 26.485 1.00 78.25 O ATOM 108 N CYS 244 40.044 2.842 28.111 1.00 51.20 N ATOM 109 CA CYS 244 38.906 3.400 27.447 1.00 51.20 C ATOM 110 CB CYS 244 37.806 3.949 28.383 1.00 51.20 C ATOM 111 SG CYS 244 37.061 2.721 29.503 1.00 51.20 S ATOM 112 C CYS 244 39.367 4.547 26.614 1.00 51.20 C ATOM 113 O CYS 244 40.342 5.224 26.935 1.00 51.20 O ATOM 114 N LEU 245 38.645 4.782 25.506 1.00111.00 N ATOM 115 CA LEU 245 38.927 5.875 24.627 1.00111.00 C ATOM 116 CB LEU 245 38.068 5.882 23.354 1.00111.00 C ATOM 117 CG LEU 245 38.284 4.664 22.436 1.00111.00 C ATOM 118 CD1 LEU 245 37.879 3.353 23.126 1.00111.00 C ATOM 119 CD2 LEU 245 37.567 4.863 21.092 1.00111.00 C ATOM 120 C LEU 245 38.570 7.099 25.406 1.00111.00 C ATOM 121 O LEU 245 38.049 7.006 26.515 1.00111.00 O ATOM 122 N PRO 246 38.866 8.247 24.876 1.00262.70 N ATOM 123 CA PRO 246 38.623 9.470 25.592 1.00262.70 C ATOM 124 CD PRO 246 39.897 8.386 23.860 1.00262.70 C ATOM 125 CB PRO 246 39.230 10.568 24.718 1.00262.70 C ATOM 126 CG PRO 246 40.367 9.846 23.962 1.00262.70 C ATOM 127 C PRO 246 37.182 9.675 25.957 1.00262.70 C ATOM 128 O PRO 246 36.907 10.242 27.011 1.00262.70 O ATOM 129 N GLY 247 36.240 9.230 25.111 1.00123.70 N ATOM 130 CA GLY 247 34.836 9.429 25.335 1.00123.70 C ATOM 131 C GLY 247 34.296 8.645 26.504 1.00123.70 C ATOM 132 O GLY 247 33.375 9.110 27.174 1.00123.70 O ATOM 133 N PHE 248 34.829 7.436 26.786 1.00108.82 N ATOM 134 CA PHE 248 34.137 6.569 27.707 1.00108.82 C ATOM 135 CB PHE 248 34.017 5.141 27.173 1.00108.82 C ATOM 136 CG PHE 248 33.359 5.312 25.855 1.00108.82 C ATOM 137 CD1 PHE 248 32.001 5.496 25.771 1.00108.82 C ATOM 138 CD2 PHE 248 34.114 5.299 24.708 1.00108.82 C ATOM 139 CE1 PHE 248 31.395 5.665 24.551 1.00108.82 C ATOM 140 CE2 PHE 248 33.512 5.466 23.487 1.00108.82 C ATOM 141 CZ PHE 248 32.151 5.646 23.405 1.00108.82 C ATOM 142 C PHE 248 34.802 6.477 29.045 1.00108.82 C ATOM 143 O PHE 248 35.950 6.875 29.229 1.00108.82 O ATOM 144 N THR 249 34.038 5.940 30.027 1.00 50.91 N ATOM 145 CA THR 249 34.480 5.805 31.384 1.00 50.91 C ATOM 146 CB THR 249 33.899 6.886 32.250 1.00 50.91 C ATOM 147 OG1 THR 249 34.217 8.155 31.697 1.00 50.91 O ATOM 148 CG2 THR 249 34.477 6.795 33.673 1.00 50.91 C ATOM 149 C THR 249 33.994 4.472 31.888 1.00 50.91 C ATOM 150 O THR 249 33.180 3.808 31.247 1.00 50.91 O ATOM 151 N GLY 250 34.488 4.044 33.068 1.00105.46 N ATOM 152 CA GLY 250 34.096 2.776 33.615 1.00105.46 C ATOM 153 C GLY 250 32.677 2.908 34.040 1.00105.46 C ATOM 154 O GLY 250 32.145 4.014 34.131 1.00105.46 O ATOM 155 N GLN 251 32.018 1.774 34.341 1.00171.62 N ATOM 156 CA GLN 251 32.638 0.483 34.300 1.00171.62 C ATOM 157 CB GLN 251 31.857 -0.561 35.111 1.00171.62 C ATOM 158 CG GLN 251 31.600 -0.163 36.564 1.00171.62 C ATOM 159 CD GLN 251 32.803 -0.521 37.421 1.00171.62 C ATOM 160 OE1 GLN 251 32.695 -0.589 38.645 1.00171.62 O ATOM 161 NE2 GLN 251 33.979 -0.768 36.780 1.00171.62 N ATOM 162 C GLN 251 32.612 -0.008 32.884 1.00171.62 C ATOM 163 O GLN 251 31.674 0.269 32.141 1.00171.62 O ATOM 164 N THR 252 33.667 -0.740 32.482 1.00127.90 N ATOM 165 CA THR 252 33.777 -1.380 31.199 1.00127.90 C ATOM 166 CB THR 252 32.825 -2.527 31.007 1.00127.90 C ATOM 167 OG1 THR 252 31.482 -2.074 30.986 1.00127.90 O ATOM 168 CG2 THR 252 33.024 -3.515 32.166 1.00127.90 C ATOM 169 C THR 252 33.554 -0.399 30.095 1.00127.90 C ATOM 170 O THR 252 33.037 -0.754 29.037 1.00127.90 O ATOM 171 N CYS 253 33.959 0.864 30.310 1.00 81.47 N ATOM 172 CA CYS 253 33.828 1.864 29.292 1.00 81.47 C ATOM 173 CB CYS 253 34.638 1.555 28.011 1.00 81.47 C ATOM 174 SG CYS 253 36.411 1.228 28.289 1.00 81.47 S ATOM 175 C CYS 253 32.377 1.922 28.923 1.00 81.47 C ATOM 176 O CYS 253 32.027 2.320 27.813 1.00 81.47 O ATOM 177 N GLU 254 31.489 1.529 29.856 1.00 48.72 N ATOM 178 CA GLU 254 30.082 1.530 29.571 1.00 48.72 C ATOM 179 CB GLU 254 29.202 1.059 30.742 1.00 48.72 C ATOM 180 CG GLU 254 29.246 -0.430 31.063 1.00 48.72 C ATOM 181 CD GLU 254 28.334 -0.636 32.263 1.00 48.72 C ATOM 182 OE1 GLU 254 27.277 0.047 32.312 1.00 48.72 O ATOM 183 OE2 GLU 254 28.682 -1.462 33.149 1.00 48.72 O ATOM 184 C GLU 254 29.644 2.933 29.356 1.00 48.72 C ATOM 185 O GLU 254 28.952 3.241 28.385 1.00 48.72 O ATOM 186 N HIS 255 30.058 3.825 30.273 1.00 60.42 N ATOM 187 CA HIS 255 29.606 5.176 30.197 1.00 60.42 C ATOM 188 ND1 HIS 255 28.918 8.210 31.286 1.00 60.42 N ATOM 189 CG HIS 255 28.310 6.983 31.420 1.00 60.42 C ATOM 190 CB HIS 255 29.051 5.686 31.536 1.00 60.42 C ATOM 191 NE2 HIS 255 26.728 8.587 31.314 1.00 60.42 N ATOM 192 CD2 HIS 255 26.972 7.231 31.435 1.00 60.42 C ATOM 193 CE1 HIS 255 27.926 9.133 31.228 1.00 60.42 C ATOM 194 C HIS 255 30.798 6.044 29.832 1.00 60.42 C ATOM 195 O HIS 255 30.952 6.363 28.622 1.00 60.42 O ATOM 196 OXT HIS 255 31.565 6.410 30.763 1.00 60.42 O