EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:17:57 REMARK 6 MODELLER OBJECTIVE FUNCTION: 94.7653 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 47.619 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1154.75928 REMARK 6 GA341 score: 0.81205 REMARK 6 Normalized DOPE score: -0.29936 REMARK 6 TEMPLATE: 2i13A02 75:A - 95:A MODELS 1: - 21: AT 47.6% ATOM 1 N GLU 259 -1.374 14.981 53.450 1.00 95.75 N ATOM 2 CA GLU 259 -2.830 14.937 53.680 1.00 95.75 C ATOM 3 CB GLU 259 -3.257 13.545 54.174 1.00 95.75 C ATOM 4 CG GLU 259 -3.039 12.434 53.139 1.00 95.75 C ATOM 5 CD GLU 259 -4.141 12.491 52.089 1.00 95.75 C ATOM 6 OE1 GLU 259 -5.333 12.379 52.484 1.00 95.75 O ATOM 7 OE2 GLU 259 -3.812 12.651 50.883 1.00 95.75 O ATOM 8 C GLU 259 -3.223 15.945 54.706 1.00 95.75 C ATOM 9 O GLU 259 -2.377 16.547 55.366 1.00 95.75 O ATOM 10 N LYS 260 -4.547 16.165 54.834 1.00 87.16 N ATOM 11 CA LYS 260 -5.075 17.107 55.774 1.00 87.16 C ATOM 12 CB LYS 260 -6.059 18.091 55.116 1.00 87.16 C ATOM 13 CG LYS 260 -5.477 18.980 54.008 1.00 87.16 C ATOM 14 CD LYS 260 -6.558 19.637 53.135 1.00 87.16 C ATOM 15 CE LYS 260 -6.808 18.932 51.793 1.00 87.16 C ATOM 16 NZ LYS 260 -8.190 19.201 51.322 1.00 87.16 N ATOM 17 C LYS 260 -5.893 16.304 56.738 1.00 87.16 C ATOM 18 O LYS 260 -7.099 16.164 56.564 1.00 87.16 O ATOM 19 N PRO 261 -5.273 15.771 57.750 1.00117.33 N ATOM 20 CA PRO 261 -6.018 14.962 58.676 1.00117.33 C ATOM 21 CD PRO 261 -3.921 15.257 57.575 1.00117.33 C ATOM 22 CB PRO 261 -4.993 14.094 59.410 1.00117.33 C ATOM 23 CG PRO 261 -3.847 13.958 58.398 1.00117.33 C ATOM 24 C PRO 261 -6.944 15.703 59.588 1.00117.33 C ATOM 25 O PRO 261 -7.795 15.059 60.195 1.00117.33 O ATOM 26 N PHE 262 -6.810 17.036 59.720 1.00 59.57 N ATOM 27 CA PHE 262 -7.636 17.724 60.671 1.00 59.57 C ATOM 28 CB PHE 262 -6.915 18.913 61.329 1.00 59.57 C ATOM 29 CG PHE 262 -5.728 18.303 61.984 1.00 59.57 C ATOM 30 CD1 PHE 262 -5.867 17.614 63.166 1.00 59.57 C ATOM 31 CD2 PHE 262 -4.482 18.410 61.410 1.00 59.57 C ATOM 32 CE1 PHE 262 -4.775 17.036 63.768 1.00 59.57 C ATOM 33 CE2 PHE 262 -3.386 17.836 62.010 1.00 59.57 C ATOM 34 CZ PHE 262 -3.533 17.150 63.190 1.00 59.57 C ATOM 35 C PHE 262 -8.855 18.254 59.988 1.00 59.57 C ATOM 36 O PHE 262 -8.764 19.020 59.031 1.00 59.57 O ATOM 37 N THR 263 -10.043 17.855 60.484 1.00 30.99 N ATOM 38 CA THR 263 -11.277 18.322 59.926 1.00 30.99 C ATOM 39 CB THR 263 -12.160 17.216 59.433 1.00 30.99 C ATOM 40 OG1 THR 263 -11.481 16.488 58.422 1.00 30.99 O ATOM 41 CG2 THR 263 -13.470 17.807 58.886 1.00 30.99 C ATOM 42 C THR 263 -12.021 19.037 61.007 1.00 30.99 C ATOM 43 O THR 263 -11.984 18.637 62.169 1.00 30.99 O ATOM 44 N CYS 264 -12.690 20.149 60.645 1.00 41.29 N ATOM 45 CA CYS 264 -13.451 20.888 61.611 1.00 41.29 C ATOM 46 CB CYS 264 -13.772 22.328 61.167 1.00 41.29 C ATOM 47 SG CYS 264 -14.704 23.268 62.410 1.00 41.29 S ATOM 48 C CYS 264 -14.747 20.165 61.782 1.00 41.29 C ATOM 49 O CYS 264 -15.401 19.819 60.803 1.00 41.29 O ATOM 50 N THR 265 -15.161 19.915 63.038 1.00106.94 N ATOM 51 CA THR 265 -16.361 19.162 63.240 1.00106.94 C ATOM 52 CB THR 265 -16.585 18.786 64.677 1.00106.94 C ATOM 53 OG1 THR 265 -17.714 17.932 64.780 1.00106.94 O ATOM 54 CG2 THR 265 -16.781 20.051 65.530 1.00106.94 C ATOM 55 C THR 265 -17.548 19.916 62.729 1.00106.94 C ATOM 56 O THR 265 -18.423 19.336 62.087 1.00106.94 O ATOM 57 N GLN 266 -17.631 21.228 63.024 1.00139.94 N ATOM 58 CA GLN 266 -18.781 21.974 62.596 1.00139.94 C ATOM 59 CB GLN 266 -18.806 23.386 63.203 1.00139.94 C ATOM 60 CG GLN 266 -19.279 23.399 64.654 1.00139.94 C ATOM 61 CD GLN 266 -20.782 23.200 64.589 1.00139.94 C ATOM 62 OE1 GLN 266 -21.418 22.798 65.561 1.00139.94 O ATOM 63 NE2 GLN 266 -21.376 23.479 63.399 1.00139.94 N ATOM 64 C GLN 266 -18.854 22.138 61.104 1.00139.94 C ATOM 65 O GLN 266 -19.822 21.710 60.476 1.00139.94 O ATOM 66 N CYS 267 -17.813 22.750 60.503 1.00 91.68 N ATOM 67 CA CYS 267 -17.758 23.082 59.100 1.00 91.68 C ATOM 68 CB CYS 267 -16.581 24.026 58.802 1.00 91.68 C ATOM 69 SG CYS 267 -16.393 24.382 57.035 1.00 91.68 S ATOM 70 C CYS 267 -17.605 21.878 58.219 1.00 91.68 C ATOM 71 O CYS 267 -18.316 21.733 57.224 1.00 91.68 O ATOM 72 N GLY 268 -16.670 20.971 58.571 1.00 27.94 N ATOM 73 CA GLY 268 -16.400 19.806 57.774 1.00 27.94 C ATOM 74 C GLY 268 -15.204 20.062 56.905 1.00 27.94 C ATOM 75 O GLY 268 -14.759 19.172 56.183 1.00 27.94 O ATOM 76 N LYS 269 -14.638 21.282 56.949 1.00 59.88 N ATOM 77 CA LYS 269 -13.512 21.606 56.119 1.00 59.88 C ATOM 78 CB LYS 269 -13.268 23.122 56.049 1.00 59.88 C ATOM 79 CG LYS 269 -12.246 23.532 54.994 1.00 59.88 C ATOM 80 CD LYS 269 -12.248 25.028 54.684 1.00 59.88 C ATOM 81 CE LYS 269 -11.334 25.412 53.517 1.00 59.88 C ATOM 82 NZ LYS 269 -11.206 26.883 53.458 1.00 59.88 N ATOM 83 C LYS 269 -12.284 20.930 56.660 1.00 59.88 C ATOM 84 O LYS 269 -12.166 20.714 57.865 1.00 59.88 O ATOM 85 N CYS 270 -11.327 20.577 55.768 1.00 54.08 N ATOM 86 CA CYS 270 -10.154 19.853 56.187 1.00 54.08 C ATOM 87 CB CYS 270 -9.855 18.628 55.305 1.00 54.08 C ATOM 88 SG CYS 270 -11.247 17.463 55.259 1.00 54.08 S ATOM 89 C CYS 270 -8.956 20.753 56.100 1.00 54.08 C ATOM 90 O CYS 270 -8.854 21.596 55.210 1.00 54.08 O ATOM 91 N PHE 271 -7.994 20.578 57.034 1.00139.25 N ATOM 92 CA PHE 271 -6.846 21.437 57.054 1.00139.25 C ATOM 93 CB PHE 271 -6.857 22.405 58.253 1.00139.25 C ATOM 94 CG PHE 271 -7.968 23.399 58.105 1.00139.25 C ATOM 95 CD1 PHE 271 -9.247 23.090 58.508 1.00139.25 C ATOM 96 CD2 PHE 271 -7.735 24.639 57.552 1.00139.25 C ATOM 97 CE1 PHE 271 -10.270 24.001 58.374 1.00139.25 C ATOM 98 CE2 PHE 271 -8.753 25.556 57.415 1.00139.25 C ATOM 99 CZ PHE 271 -10.025 25.238 57.829 1.00139.25 C ATOM 100 C PHE 271 -5.587 20.628 57.158 1.00139.25 C ATOM 101 O PHE 271 -5.561 19.526 57.706 1.00139.25 O ATOM 102 N ASN 272 -4.501 21.189 56.593 1.00 97.89 N ATOM 103 CA ASN 272 -3.198 20.599 56.585 1.00 97.89 C ATOM 104 CB ASN 272 -2.220 21.416 55.725 1.00 97.89 C ATOM 105 CG ASN 272 -2.679 21.276 54.283 1.00 97.89 C ATOM 106 OD1 ASN 272 -2.691 20.179 53.729 1.00 97.89 O ATOM 107 ND2 ASN 272 -3.084 22.413 53.658 1.00 97.89 N ATOM 108 C ASN 272 -2.660 20.557 57.985 1.00 97.89 C ATOM 109 O ASN 272 -2.066 19.558 58.391 1.00 97.89 O ATOM 110 N PHE 273 -2.868 21.636 58.773 1.00100.72 N ATOM 111 CA PHE 273 -2.305 21.681 60.096 1.00100.72 C ATOM 112 CB PHE 273 -1.193 22.737 60.241 1.00100.72 C ATOM 113 CG PHE 273 -0.163 22.470 59.195 1.00100.72 C ATOM 114 CD1 PHE 273 0.823 21.528 59.378 1.00100.72 C ATOM 115 CD2 PHE 273 -0.203 23.161 58.006 1.00100.72 C ATOM 116 CE1 PHE 273 1.761 21.300 58.397 1.00100.72 C ATOM 117 CE2 PHE 273 0.734 22.936 57.025 1.00100.72 C ATOM 118 CZ PHE 273 1.721 22.000 57.214 1.00100.72 C ATOM 119 C PHE 273 -3.384 22.060 61.075 1.00100.72 C ATOM 120 O PHE 273 -4.400 22.653 60.718 1.00100.72 O ATOM 121 N SER 274 -3.179 21.702 62.359 1.00 70.05 N ATOM 122 CA SER 274 -4.128 21.996 63.397 1.00 70.05 C ATOM 123 CB SER 274 -3.764 21.361 64.747 1.00 70.05 C ATOM 124 OG SER 274 -2.606 21.981 65.291 1.00 70.05 O ATOM 125 C SER 274 -4.171 23.477 63.605 1.00 70.05 C ATOM 126 O SER 274 -5.216 24.030 63.945 1.00 70.05 O ATOM 127 N SER 275 -3.021 24.150 63.393 1.00 68.21 N ATOM 128 CA SER 275 -2.881 25.569 63.586 1.00 68.21 C ATOM 129 CB SER 275 -1.472 26.066 63.195 1.00 68.21 C ATOM 130 OG SER 275 -1.369 27.478 63.323 1.00 68.21 O ATOM 131 C SER 275 -3.862 26.280 62.708 1.00 68.21 C ATOM 132 O SER 275 -4.573 27.179 63.160 1.00 68.21 O ATOM 133 N ASN 276 -3.926 25.897 61.421 1.00 45.34 N ATOM 134 CA ASN 276 -4.823 26.549 60.514 1.00 45.34 C ATOM 135 CB ASN 276 -4.686 26.052 59.061 1.00 45.34 C ATOM 136 CG ASN 276 -3.286 26.391 58.568 1.00 45.34 C ATOM 137 OD1 ASN 276 -2.328 25.670 58.841 1.00 45.34 O ATOM 138 ND2 ASN 276 -3.158 27.516 57.817 1.00 45.34 N ATOM 139 C ASN 276 -6.230 26.272 60.948 1.00 45.34 C ATOM 140 O ASN 276 -7.088 27.153 60.915 1.00 45.34 O ATOM 141 N LEU 277 -6.500 25.031 61.390 1.00108.30 N ATOM 142 CA LEU 277 -7.834 24.638 61.730 1.00108.30 C ATOM 143 CB LEU 277 -7.943 23.129 62.051 1.00108.30 C ATOM 144 CG LEU 277 -9.377 22.547 62.102 1.00108.30 C ATOM 145 CD1 LEU 277 -9.326 21.039 62.396 1.00108.30 C ATOM 146 CD2 LEU 277 -10.303 23.290 63.081 1.00108.30 C ATOM 147 C LEU 277 -8.335 25.454 62.886 1.00108.30 C ATOM 148 O LEU 277 -9.479 25.904 62.853 1.00108.30 O ATOM 149 N ASN 278 -7.509 25.701 63.924 1.00 91.14 N ATOM 150 CA ASN 278 -8.048 26.420 65.043 1.00 91.14 C ATOM 151 CB ASN 278 -7.112 26.572 66.252 1.00 91.14 C ATOM 152 CG ASN 278 -5.890 27.362 65.849 1.00 91.14 C ATOM 153 OD1 ASN 278 -4.823 26.785 65.652 1.00 91.14 O ATOM 154 ND2 ASN 278 -6.020 28.711 65.737 1.00 91.14 N ATOM 155 C ASN 278 -8.480 27.772 64.581 1.00 91.14 C ATOM 156 O ASN 278 -9.494 28.284 65.049 1.00 91.14 O ATOM 157 N ARG 279 -7.739 28.384 63.638 1.00116.93 N ATOM 158 CA ARG 279 -8.141 29.666 63.138 1.00116.93 C ATOM 159 CB ARG 279 -7.260 30.158 61.980 1.00116.93 C ATOM 160 CG ARG 279 -7.720 31.500 61.416 1.00116.93 C ATOM 161 CD ARG 279 -6.942 31.919 60.174 1.00116.93 C ATOM 162 NE ARG 279 -7.408 31.080 59.039 1.00116.93 N ATOM 163 CZ ARG 279 -7.125 31.489 57.768 1.00116.93 C ATOM 164 NH1 ARG 279 -6.341 32.583 57.578 1.00116.93 N ATOM 165 NH2 ARG 279 -7.606 30.798 56.690 1.00116.93 N ATOM 166 C ARG 279 -9.562 29.530 62.589 1.00116.93 C ATOM 167 O ARG 279 -10.532 29.845 63.331 1.00116.93 O ATOM 168 OXT ARG 279 -9.696 29.127 61.402 1.00116.93 O