EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:20:57 REMARK 6 MODELLER OBJECTIVE FUNCTION: 121.9601 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 62.069 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -2047.50146 REMARK 6 GA341 score: 0.99876 REMARK 6 Normalized DOPE score: -2.07953 REMARK 6 TEMPLATE: 2i13A02 75:A - 103:A MODELS 1: - 29: AT 62.1% ATOM 1 N GLU 248 -8.004 14.436 49.174 1.00 30.41 N ATOM 2 CA GLU 248 -9.348 14.819 49.662 1.00 30.41 C ATOM 3 CB GLU 248 -10.337 13.658 49.447 1.00 30.41 C ATOM 4 CG GLU 248 -11.771 13.961 49.887 1.00 30.41 C ATOM 5 CD GLU 248 -12.614 12.724 49.610 1.00 30.41 C ATOM 6 OE1 GLU 248 -12.930 12.478 48.415 1.00 30.41 O ATOM 7 OE2 GLU 248 -12.945 12.003 50.589 1.00 30.41 O ATOM 8 C GLU 248 -9.299 15.146 51.121 1.00 30.41 C ATOM 9 O GLU 248 -8.882 14.327 51.939 1.00 30.41 O ATOM 10 N LYS 249 -9.699 16.381 51.481 1.00 51.54 N ATOM 11 CA LYS 249 -9.702 16.763 52.863 1.00 51.54 C ATOM 12 CB LYS 249 -8.977 18.094 53.116 1.00 51.54 C ATOM 13 CG LYS 249 -7.487 18.065 52.773 1.00 51.54 C ATOM 14 CD LYS 249 -6.875 19.464 52.663 1.00 51.54 C ATOM 15 CE LYS 249 -5.384 19.467 52.322 1.00 51.54 C ATOM 16 NZ LYS 249 -4.930 20.856 52.096 1.00 51.54 N ATOM 17 C LYS 249 -11.133 16.975 53.234 1.00 51.54 C ATOM 18 O LYS 249 -11.692 18.055 53.049 1.00 51.54 O ATOM 19 N PRO 250 -11.726 15.944 53.754 1.00106.29 N ATOM 20 CA PRO 250 -13.120 15.991 54.105 1.00106.29 C ATOM 21 CD PRO 250 -11.309 14.604 53.368 1.00106.29 C ATOM 22 CB PRO 250 -13.551 14.538 54.288 1.00106.29 C ATOM 23 CG PRO 250 -12.586 13.750 53.387 1.00106.29 C ATOM 24 C PRO 250 -13.482 16.849 55.278 1.00106.29 C ATOM 25 O PRO 250 -14.648 17.229 55.374 1.00106.29 O ATOM 26 N TYR 251 -12.542 17.173 56.185 1.00 60.83 N ATOM 27 CA TYR 251 -12.987 17.883 57.352 1.00 60.83 C ATOM 28 CB TYR 251 -12.534 17.243 58.675 1.00 60.83 C ATOM 29 CG TYR 251 -13.306 15.976 58.806 1.00 60.83 C ATOM 30 CD1 TYR 251 -14.597 16.004 59.280 1.00 60.83 C ATOM 31 CD2 TYR 251 -12.751 14.766 58.457 1.00 60.83 C ATOM 32 CE1 TYR 251 -15.325 14.845 59.405 1.00 60.83 C ATOM 33 CE2 TYR 251 -13.474 13.602 58.581 1.00 60.83 C ATOM 34 CZ TYR 251 -14.763 13.641 59.055 1.00 60.83 C ATOM 35 OH TYR 251 -15.511 12.452 59.184 1.00 60.83 O ATOM 36 C TYR 251 -12.503 19.295 57.328 1.00 60.83 C ATOM 37 O TYR 251 -11.303 19.563 57.296 1.00 60.83 O ATOM 38 N THR 252 -13.457 20.249 57.373 1.00108.60 N ATOM 39 CA THR 252 -13.095 21.634 57.312 1.00108.60 C ATOM 40 CB THR 252 -13.797 22.396 56.228 1.00108.60 C ATOM 41 OG1 THR 252 -15.197 22.416 56.470 1.00108.60 O ATOM 42 CG2 THR 252 -13.493 21.717 54.883 1.00108.60 C ATOM 43 C THR 252 -13.434 22.291 58.611 1.00108.60 C ATOM 44 O THR 252 -14.437 21.977 59.250 1.00108.60 O ATOM 45 N CYS 253 -12.552 23.217 59.037 1.00 42.57 N ATOM 46 CA CYS 253 -12.715 23.952 60.259 1.00 42.57 C ATOM 47 CB CYS 253 -11.401 24.596 60.737 1.00 42.57 C ATOM 48 SG CYS 253 -11.569 25.533 62.282 1.00 42.57 S ATOM 49 C CYS 253 -13.709 25.047 60.030 1.00 42.57 C ATOM 50 O CYS 253 -13.610 25.808 59.071 1.00 42.57 O ATOM 51 N THR 254 -14.692 25.163 60.939 1.00107.14 N ATOM 52 CA THR 254 -15.713 26.156 60.793 1.00107.14 C ATOM 53 CB THR 254 -16.774 26.042 61.844 1.00107.14 C ATOM 54 OG1 THR 254 -16.208 26.215 63.135 1.00107.14 O ATOM 55 CG2 THR 254 -17.431 24.656 61.728 1.00107.14 C ATOM 56 C THR 254 -15.112 27.525 60.894 1.00107.14 C ATOM 57 O THR 254 -15.522 28.437 60.176 1.00107.14 O ATOM 58 N GLN 255 -14.156 27.728 61.824 1.00155.90 N ATOM 59 CA GLN 255 -13.645 29.061 62.005 1.00155.90 C ATOM 60 CB GLN 255 -12.753 29.202 63.255 1.00155.90 C ATOM 61 CG GLN 255 -13.508 29.246 64.588 1.00155.90 C ATOM 62 CD GLN 255 -13.889 27.837 65.019 1.00155.90 C ATOM 63 OE1 GLN 255 -14.626 27.651 65.987 1.00155.90 O ATOM 64 NE2 GLN 255 -13.373 26.810 64.292 1.00155.90 N ATOM 65 C GLN 255 -12.833 29.584 60.845 1.00155.90 C ATOM 66 O GLN 255 -13.182 30.613 60.269 1.00155.90 O ATOM 67 N CYS 256 -11.708 28.912 60.510 1.00 79.95 N ATOM 68 CA CYS 256 -10.774 29.305 59.474 1.00 79.95 C ATOM 69 CB CYS 256 -9.343 28.821 59.754 1.00 79.95 C ATOM 70 SG CYS 256 -9.238 27.018 59.904 1.00 79.95 S ATOM 71 C CYS 256 -11.156 28.860 58.089 1.00 79.95 C ATOM 72 O CYS 256 -10.810 29.517 57.108 1.00 79.95 O ATOM 73 N GLU 257 -11.888 27.736 57.974 1.00 76.44 N ATOM 74 CA GLU 257 -12.216 27.098 56.724 1.00 76.44 C ATOM 75 CB GLU 257 -12.691 28.079 55.638 1.00 76.44 C ATOM 76 CG GLU 257 -14.087 28.644 55.913 1.00 76.44 C ATOM 77 CD GLU 257 -14.495 29.520 54.738 1.00 76.44 C ATOM 78 OE1 GLU 257 -13.798 30.539 54.481 1.00 76.44 O ATOM 79 OE2 GLU 257 -15.513 29.178 54.078 1.00 76.44 O ATOM 80 C GLU 257 -11.037 26.325 56.188 1.00 76.44 C ATOM 81 O GLU 257 -10.999 25.970 55.010 1.00 76.44 O ATOM 82 N LYS 258 -10.057 25.992 57.054 1.00 84.09 N ATOM 83 CA LYS 258 -8.943 25.178 56.641 1.00 84.09 C ATOM 84 CB LYS 258 -7.750 25.269 57.607 1.00 84.09 C ATOM 85 CG LYS 258 -6.448 24.675 57.065 1.00 84.09 C ATOM 86 CD LYS 258 -5.226 25.058 57.904 1.00 84.09 C ATOM 87 CE LYS 258 -3.906 24.522 57.351 1.00 84.09 C ATOM 88 NZ LYS 258 -3.454 25.377 56.233 1.00 84.09 N ATOM 89 C LYS 258 -9.424 23.752 56.615 1.00 84.09 C ATOM 90 O LYS 258 -10.232 23.354 57.454 1.00 84.09 O ATOM 91 N SER 259 -8.936 22.930 55.657 1.00 95.56 N ATOM 92 CA SER 259 -9.430 21.582 55.549 1.00 95.56 C ATOM 93 CB SER 259 -9.962 21.246 54.148 1.00 95.56 C ATOM 94 OG SER 259 -8.926 21.419 53.194 1.00 95.56 O ATOM 95 C SER 259 -8.337 20.612 55.876 1.00 95.56 C ATOM 96 O SER 259 -7.157 20.894 55.670 1.00 95.56 O ATOM 97 N PHE 260 -8.719 19.427 56.410 1.00146.41 N ATOM 98 CA PHE 260 -7.747 18.454 56.831 1.00146.41 C ATOM 99 CB PHE 260 -7.651 18.334 58.362 1.00146.41 C ATOM 100 CG PHE 260 -7.103 19.613 58.897 1.00146.41 C ATOM 101 CD1 PHE 260 -7.936 20.678 59.158 1.00146.41 C ATOM 102 CD2 PHE 260 -5.754 19.756 59.127 1.00146.41 C ATOM 103 CE1 PHE 260 -7.432 21.860 59.650 1.00146.41 C ATOM 104 CE2 PHE 260 -5.244 20.934 59.620 1.00146.41 C ATOM 105 CZ PHE 260 -6.084 21.990 59.883 1.00146.41 C ATOM 106 C PHE 260 -8.130 17.099 56.324 1.00146.41 C ATOM 107 O PHE 260 -9.300 16.804 56.081 1.00146.41 O ATOM 108 N SER 261 -7.108 16.248 56.120 1.00 77.99 N ATOM 109 CA SER 261 -7.287 14.901 55.669 1.00 77.99 C ATOM 110 CB SER 261 -5.973 14.253 55.207 1.00 77.99 C ATOM 111 OG SER 261 -6.220 12.922 54.779 1.00 77.99 O ATOM 112 C SER 261 -7.834 14.057 56.785 1.00 77.99 C ATOM 113 O SER 261 -8.529 13.074 56.526 1.00 77.99 O ATOM 114 N HIS 262 -7.542 14.412 58.057 1.00 75.83 N ATOM 115 CA HIS 262 -7.955 13.547 59.131 1.00 75.83 C ATOM 116 ND1 HIS 262 -5.070 12.624 58.039 1.00 75.83 N ATOM 117 CG HIS 262 -5.838 12.116 59.063 1.00 75.83 C ATOM 118 CB HIS 262 -6.770 12.938 59.903 1.00 75.83 C ATOM 119 NE2 HIS 262 -4.585 10.460 58.181 1.00 75.83 N ATOM 120 CD2 HIS 262 -5.531 10.792 59.134 1.00 75.83 C ATOM 121 CE1 HIS 262 -4.340 11.592 57.547 1.00 75.83 C ATOM 122 C HIS 262 -8.735 14.313 60.158 1.00 75.83 C ATOM 123 O HIS 262 -8.426 15.455 60.497 1.00 75.83 O ATOM 124 N PRO 263 -9.755 13.662 60.658 1.00 96.05 N ATOM 125 CA PRO 263 -10.626 14.192 61.676 1.00 96.05 C ATOM 126 CD PRO 263 -9.858 12.216 60.547 1.00 96.05 C ATOM 127 CB PRO 263 -11.633 13.078 61.955 1.00 96.05 C ATOM 128 CG PRO 263 -10.827 11.797 61.666 1.00 96.05 C ATOM 129 C PRO 263 -9.871 14.556 62.922 1.00 96.05 C ATOM 130 O PRO 263 -10.198 15.569 63.541 1.00 96.05 O ATOM 131 N SER 264 -8.874 13.738 63.314 1.00 64.23 N ATOM 132 CA SER 264 -8.129 13.970 64.519 1.00 64.23 C ATOM 133 CB SER 264 -7.132 12.841 64.819 1.00 64.23 C ATOM 134 OG SER 264 -6.425 13.119 66.018 1.00 64.23 O ATOM 135 C SER 264 -7.338 15.227 64.371 1.00 64.23 C ATOM 136 O SER 264 -7.213 16.007 65.314 1.00 64.23 O ATOM 137 N ASN 265 -6.785 15.455 63.168 1.00 33.34 N ATOM 138 CA ASN 265 -5.961 16.603 62.928 1.00 33.34 C ATOM 139 CB ASN 265 -5.394 16.634 61.499 1.00 33.34 C ATOM 140 CG ASN 265 -4.490 15.425 61.309 1.00 33.34 C ATOM 141 OD1 ASN 265 -3.953 14.877 62.270 1.00 33.34 O ATOM 142 ND2 ASN 265 -4.315 14.999 60.029 1.00 33.34 N ATOM 143 C ASN 265 -6.799 17.831 63.075 1.00 33.34 C ATOM 144 O ASN 265 -6.367 18.822 63.661 1.00 33.34 O ATOM 145 N LEU 266 -8.032 17.792 62.539 1.00102.57 N ATOM 146 CA LEU 266 -8.890 18.937 62.582 1.00102.57 C ATOM 147 CB LEU 266 -10.210 18.700 61.818 1.00102.57 C ATOM 148 CG LEU 266 -11.198 19.887 61.798 1.00102.57 C ATOM 149 CD1 LEU 266 -11.864 20.122 63.163 1.00102.57 C ATOM 150 CD2 LEU 266 -10.534 21.152 61.240 1.00102.57 C ATOM 151 C LEU 266 -9.190 19.235 64.018 1.00102.57 C ATOM 152 O LEU 266 -9.193 20.390 64.439 1.00102.57 O ATOM 153 N ASN 267 -9.419 18.183 64.822 1.00 67.41 N ATOM 154 CA ASN 267 -9.794 18.365 66.196 1.00 67.41 C ATOM 155 CB ASN 267 -9.976 17.028 66.934 1.00 67.41 C ATOM 156 CG ASN 267 -10.628 17.300 68.282 1.00 67.41 C ATOM 157 OD1 ASN 267 -10.257 18.231 68.994 1.00 67.41 O ATOM 158 ND2 ASN 267 -11.635 16.459 68.642 1.00 67.41 N ATOM 159 C ASN 267 -8.722 19.128 66.904 1.00 67.41 C ATOM 160 O ASN 267 -9.016 20.063 67.646 1.00 67.41 O ATOM 161 N ARG 268 -7.444 18.760 66.686 1.00 83.65 N ATOM 162 CA ARG 268 -6.374 19.433 67.365 1.00 83.65 C ATOM 163 CB ARG 268 -4.994 18.800 67.130 1.00 83.65 C ATOM 164 CG ARG 268 -4.900 17.379 67.687 1.00 83.65 C ATOM 165 CD ARG 268 -3.471 16.912 67.964 1.00 83.65 C ATOM 166 NE ARG 268 -3.206 17.173 69.407 1.00 83.65 N ATOM 167 CZ ARG 268 -2.002 16.842 69.957 1.00 83.65 C ATOM 168 NH1 ARG 268 -1.023 16.296 69.179 1.00 83.65 N ATOM 169 NH2 ARG 268 -1.783 17.053 71.288 1.00 83.65 N ATOM 170 C ARG 268 -6.321 20.854 66.901 1.00 83.65 C ATOM 171 O ARG 268 -6.060 21.765 67.685 1.00 83.65 O ATOM 172 N HIS 269 -6.575 21.075 65.600 1.00 52.69 N ATOM 173 CA HIS 269 -6.532 22.388 65.026 1.00 52.69 C ATOM 174 ND1 HIS 269 -5.888 24.523 62.572 1.00 52.69 N ATOM 175 CG HIS 269 -6.961 23.731 62.914 1.00 52.69 C ATOM 176 CB HIS 269 -6.855 22.365 63.520 1.00 52.69 C ATOM 177 NE2 HIS 269 -7.718 25.675 62.055 1.00 52.69 N ATOM 178 CD2 HIS 269 -8.070 24.449 62.591 1.00 52.69 C ATOM 179 CE1 HIS 269 -6.398 25.674 62.064 1.00 52.69 C ATOM 180 C HIS 269 -7.553 23.253 65.695 1.00 52.69 C ATOM 181 O HIS 269 -7.284 24.411 66.012 1.00 52.69 O ATOM 182 N MET 270 -8.750 22.701 65.958 1.00 38.15 N ATOM 183 CA MET 270 -9.818 23.463 66.542 1.00 38.15 C ATOM 184 CB MET 270 -11.122 22.666 66.712 1.00 38.15 C ATOM 185 CG MET 270 -11.781 22.296 65.382 1.00 38.15 C ATOM 186 SD MET 270 -13.379 21.447 65.543 1.00 38.15 S ATOM 187 CE MET 270 -14.255 22.908 66.172 1.00 38.15 C ATOM 188 C MET 270 -9.407 23.953 67.896 1.00 38.15 C ATOM 189 O MET 270 -9.797 25.045 68.305 1.00 38.15 O ATOM 190 N ARG 271 -8.597 23.168 68.629 1.00108.25 N ATOM 191 CA ARG 271 -8.215 23.562 69.955 1.00108.25 C ATOM 192 CB ARG 271 -7.250 22.589 70.661 1.00108.25 C ATOM 193 CG ARG 271 -7.902 21.353 71.287 1.00108.25 C ATOM 194 CD ARG 271 -8.335 20.283 70.288 1.00108.25 C ATOM 195 NE ARG 271 -8.837 19.116 71.068 1.00108.25 N ATOM 196 CZ ARG 271 -7.989 18.102 71.412 1.00108.25 C ATOM 197 NH1 ARG 271 -6.676 18.156 71.043 1.00108.25 N ATOM 198 NH2 ARG 271 -8.451 17.037 72.130 1.00108.25 N ATOM 199 C ARG 271 -7.514 24.881 69.900 1.00108.25 C ATOM 200 O ARG 271 -7.657 25.691 70.814 1.00108.25 O ATOM 201 N ILE 272 -6.733 25.147 68.837 1.00 81.66 N ATOM 202 CA ILE 272 -5.989 26.373 68.831 1.00 81.66 C ATOM 203 CB ILE 272 -5.090 26.552 67.636 1.00 81.66 C ATOM 204 CG1 ILE 272 -4.093 27.692 67.907 1.00 81.66 C ATOM 205 CG2 ILE 272 -5.948 26.779 66.380 1.00 81.66 C ATOM 206 CD1 ILE 272 -2.973 27.780 66.872 1.00 81.66 C ATOM 207 C ILE 272 -6.924 27.546 68.891 1.00 81.66 C ATOM 208 O ILE 272 -6.666 28.498 69.626 1.00 81.66 O ATOM 209 N HIS 273 -8.035 27.524 68.127 1.00 39.70 N ATOM 210 CA HIS 273 -8.929 28.648 68.143 1.00 39.70 C ATOM 211 ND1 HIS 273 -9.167 29.463 64.994 1.00 39.70 N ATOM 212 CG HIS 273 -9.642 28.400 65.730 1.00 39.70 C ATOM 213 CB HIS 273 -10.098 28.498 67.155 1.00 39.70 C ATOM 214 NE2 HIS 273 -9.096 27.684 63.661 1.00 39.70 N ATOM 215 CD2 HIS 273 -9.591 27.322 64.900 1.00 39.70 C ATOM 216 CE1 HIS 273 -8.855 28.979 63.765 1.00 39.70 C ATOM 217 C HIS 273 -9.516 28.804 69.517 1.00 39.70 C ATOM 218 O HIS 273 -9.532 29.902 70.072 1.00 39.70 O ATOM 219 N THR 274 -9.993 27.692 70.109 1.00 35.28 N ATOM 220 CA THR 274 -10.636 27.713 71.395 1.00 35.28 C ATOM 221 CB THR 274 -11.134 26.361 71.821 1.00 35.28 C ATOM 222 OG1 THR 274 -10.045 25.462 71.967 1.00 35.28 O ATOM 223 CG2 THR 274 -12.116 25.835 70.759 1.00 35.28 C ATOM 224 C THR 274 -9.657 28.165 72.427 1.00 35.28 C ATOM 225 O THR 274 -10.002 28.931 73.324 1.00 35.28 O ATOM 226 N GLY 275 -8.396 27.711 72.318 1.00 12.42 N ATOM 227 CA GLY 275 -7.418 28.062 73.302 1.00 12.42 C ATOM 228 C GLY 275 -7.394 26.957 74.303 1.00 12.42 C ATOM 229 O GLY 275 -6.705 27.042 75.319 1.00 12.42 O ATOM 230 N GLU 276 -8.165 25.886 74.031 1.00 62.71 N ATOM 231 CA GLU 276 -8.187 24.768 74.922 1.00 62.71 C ATOM 232 CB GLU 276 -8.988 23.571 74.385 1.00 62.71 C ATOM 233 CG GLU 276 -9.001 22.382 75.344 1.00 62.71 C ATOM 234 CD GLU 276 -9.823 21.267 74.714 1.00 62.71 C ATOM 235 OE1 GLU 276 -9.900 21.213 73.458 1.00 62.71 O ATOM 236 OE2 GLU 276 -10.392 20.454 75.490 1.00 62.71 O ATOM 237 C GLU 276 -6.747 24.309 75.107 1.00 62.71 C ATOM 238 O GLU 276 -6.194 23.703 74.151 1.00 62.71 O ATOM 239 OXT GLU 276 -6.180 24.568 76.203 1.00 62.71 O