EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:06:43 REMARK 6 MODELLER OBJECTIVE FUNCTION: 106.6033 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 56.522 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1404.48413 REMARK 6 GA341 score: 0.99582 REMARK 6 Normalized DOPE score: -0.42330 REMARK 6 TEMPLATE: 2i13A02 75:A - 97:A MODELS 1: - 23: AT 56.5% ATOM 1 N GLU 303 -6.361 27.877 56.686 1.00 65.90 N ATOM 2 CA GLU 303 -6.820 28.425 57.982 1.00 65.90 C ATOM 3 CB GLU 303 -8.219 27.876 58.324 1.00 65.90 C ATOM 4 CG GLU 303 -8.921 28.603 59.475 1.00 65.90 C ATOM 5 CD GLU 303 -9.519 29.894 58.931 1.00 65.90 C ATOM 6 OE1 GLU 303 -10.670 29.841 58.419 1.00 65.90 O ATOM 7 OE2 GLU 303 -8.838 30.950 59.023 1.00 65.90 O ATOM 8 C GLU 303 -5.860 28.037 59.059 1.00 65.90 C ATOM 9 O GLU 303 -4.757 27.568 58.780 1.00 65.90 O ATOM 10 N LYS 304 -6.250 28.252 60.328 1.00 62.04 N ATOM 11 CA LYS 304 -5.386 27.903 61.418 1.00 62.04 C ATOM 12 CB LYS 304 -5.108 29.108 62.326 1.00 62.04 C ATOM 13 CG LYS 304 -4.447 30.247 61.550 1.00 62.04 C ATOM 14 CD LYS 304 -4.605 31.626 62.190 1.00 62.04 C ATOM 15 CE LYS 304 -4.223 32.758 61.234 1.00 62.04 C ATOM 16 NZ LYS 304 -4.829 34.030 61.685 1.00 62.04 N ATOM 17 C LYS 304 -6.115 26.874 62.216 1.00 62.04 C ATOM 18 O LYS 304 -7.005 27.175 63.010 1.00 62.04 O ATOM 19 N PRO 305 -5.745 25.653 61.976 1.00119.69 N ATOM 20 CA PRO 305 -6.364 24.522 62.611 1.00119.69 C ATOM 21 CD PRO 305 -5.149 25.305 60.700 1.00119.69 C ATOM 22 CB PRO 305 -6.001 23.307 61.751 1.00119.69 C ATOM 23 CG PRO 305 -4.882 23.801 60.814 1.00119.69 C ATOM 24 C PRO 305 -6.057 24.323 64.062 1.00119.69 C ATOM 25 O PRO 305 -6.812 23.609 64.722 1.00119.69 O ATOM 26 N TYR 306 -4.981 24.922 64.604 1.00 57.82 N ATOM 27 CA TYR 306 -4.667 24.583 65.961 1.00 57.82 C ATOM 28 CB TYR 306 -3.185 24.230 66.156 1.00 57.82 C ATOM 29 CG TYR 306 -2.942 23.086 65.241 1.00 57.82 C ATOM 30 CD1 TYR 306 -3.284 21.807 65.614 1.00 57.82 C ATOM 31 CD2 TYR 306 -2.379 23.297 64.004 1.00 57.82 C ATOM 32 CE1 TYR 306 -3.068 20.749 64.764 1.00 57.82 C ATOM 33 CE2 TYR 306 -2.161 22.243 63.149 1.00 57.82 C ATOM 34 CZ TYR 306 -2.507 20.969 63.527 1.00 57.82 C ATOM 35 OH TYR 306 -2.285 19.888 62.650 1.00 57.82 O ATOM 36 C TYR 306 -4.975 25.752 66.839 1.00 57.82 C ATOM 37 O TYR 306 -4.454 26.847 66.638 1.00 57.82 O ATOM 38 N THR 307 -5.831 25.530 67.858 1.00 35.31 N ATOM 39 CA THR 307 -6.210 26.609 68.723 1.00 35.31 C ATOM 40 CB THR 307 -7.697 26.815 68.795 1.00 35.31 C ATOM 41 OG1 THR 307 -8.215 27.074 67.498 1.00 35.31 O ATOM 42 CG2 THR 307 -7.985 28.013 69.721 1.00 35.31 C ATOM 43 C THR 307 -5.709 26.326 70.104 1.00 35.31 C ATOM 44 O THR 307 -5.721 25.188 70.571 1.00 35.31 O ATOM 45 N CYS 308 -5.221 27.390 70.777 1.00 43.23 N ATOM 46 CA CYS 308 -4.690 27.305 72.108 1.00 43.23 C ATOM 47 CB CYS 308 -3.872 28.548 72.505 1.00 43.23 C ATOM 48 SG CYS 308 -3.190 28.451 74.187 1.00 43.23 S ATOM 49 C CYS 308 -5.822 27.183 73.077 1.00 43.23 C ATOM 50 O CYS 308 -6.817 27.900 72.999 1.00 43.23 O ATOM 51 N THR 309 -5.673 26.260 74.041 1.00113.02 N ATOM 52 CA THR 309 -6.686 26.020 75.020 1.00113.02 C ATOM 53 CB THR 309 -6.319 24.875 75.920 1.00113.02 C ATOM 54 OG1 THR 309 -7.340 24.643 76.879 1.00113.02 O ATOM 55 CG2 THR 309 -4.982 25.189 76.613 1.00113.02 C ATOM 56 C THR 309 -6.888 27.242 75.864 1.00113.02 C ATOM 57 O THR 309 -8.026 27.625 76.132 1.00113.02 O ATOM 58 N GLU 310 -5.798 27.879 76.341 1.00100.96 N ATOM 59 CA GLU 310 -5.997 28.986 77.230 1.00100.96 C ATOM 60 CB GLU 310 -4.711 29.425 77.948 1.00100.96 C ATOM 61 CG GLU 310 -4.137 28.392 78.917 1.00100.96 C ATOM 62 CD GLU 310 -3.152 29.120 79.819 1.00100.96 C ATOM 63 OE1 GLU 310 -3.630 29.810 80.759 1.00100.96 O ATOM 64 OE2 GLU 310 -1.920 29.009 79.584 1.00100.96 O ATOM 65 C GLU 310 -6.519 30.219 76.553 1.00100.96 C ATOM 66 O GLU 310 -7.583 30.723 76.916 1.00100.96 O ATOM 67 N CYS 311 -5.753 30.738 75.566 1.00110.52 N ATOM 68 CA CYS 311 -6.035 31.976 74.874 1.00110.52 C ATOM 69 CB CYS 311 -4.887 32.427 73.956 1.00110.52 C ATOM 70 SG CYS 311 -3.315 32.687 74.809 1.00110.52 S ATOM 71 C CYS 311 -7.184 31.855 73.929 1.00110.52 C ATOM 72 O CYS 311 -8.075 32.701 73.898 1.00110.52 O ATOM 73 N GLY 312 -7.186 30.784 73.118 1.00 30.98 N ATOM 74 CA GLY 312 -8.174 30.670 72.088 1.00 30.98 C ATOM 75 C GLY 312 -7.557 31.143 70.800 1.00 30.98 C ATOM 76 O GLY 312 -8.225 31.168 69.766 1.00 30.98 O ATOM 77 N LYS 313 -6.262 31.536 70.830 1.00 92.34 N ATOM 78 CA LYS 313 -5.575 31.994 69.650 1.00 92.34 C ATOM 79 CB LYS 313 -4.234 32.698 69.946 1.00 92.34 C ATOM 80 CG LYS 313 -3.663 33.422 68.725 1.00 92.34 C ATOM 81 CD LYS 313 -2.505 34.372 69.032 1.00 92.34 C ATOM 82 CE LYS 313 -2.118 35.258 67.842 1.00 92.34 C ATOM 83 NZ LYS 313 -1.721 34.429 66.682 1.00 92.34 N ATOM 84 C LYS 313 -5.290 30.803 68.783 1.00 92.34 C ATOM 85 O LYS 313 -5.019 29.712 69.282 1.00 92.34 O ATOM 86 N SER 314 -5.334 30.986 67.444 1.00 96.66 N ATOM 87 CA SER 314 -5.149 29.867 66.557 1.00 96.66 C ATOM 88 CB SER 314 -6.350 29.634 65.625 1.00 96.66 C ATOM 89 OG SER 314 -6.630 30.818 64.894 1.00 96.66 O ATOM 90 C SER 314 -3.917 30.045 65.713 1.00 96.66 C ATOM 91 O SER 314 -3.498 31.164 65.417 1.00 96.66 O ATOM 92 N PHE 315 -3.302 28.910 65.304 1.00152.72 N ATOM 93 CA PHE 315 -2.081 28.943 64.540 1.00152.72 C ATOM 94 CB PHE 315 -0.855 28.497 65.357 1.00152.72 C ATOM 95 CG PHE 315 -0.652 29.504 66.433 1.00152.72 C ATOM 96 CD1 PHE 315 -1.320 29.383 67.630 1.00152.72 C ATOM 97 CD2 PHE 315 0.195 30.571 66.243 1.00152.72 C ATOM 98 CE1 PHE 315 -1.139 30.309 68.628 1.00152.72 C ATOM 99 CE2 PHE 315 0.379 31.502 67.239 1.00152.72 C ATOM 100 CZ PHE 315 -0.287 31.371 68.433 1.00152.72 C ATOM 101 C PHE 315 -2.177 27.994 63.383 1.00152.72 C ATOM 102 O PHE 315 -2.939 27.029 63.393 1.00152.72 O ATOM 103 N PRO 316 -1.430 28.301 62.356 1.00 72.12 N ATOM 104 CA PRO 316 -1.348 27.466 61.187 1.00 72.12 C ATOM 105 CD PRO 316 -1.090 29.681 62.063 1.00 72.12 C ATOM 106 CB PRO 316 -0.739 28.334 60.082 1.00 72.12 C ATOM 107 CG PRO 316 -0.204 29.578 60.814 1.00 72.12 C ATOM 108 C PRO 316 -0.595 26.191 61.429 1.00 72.12 C ATOM 109 O PRO 316 -0.794 25.245 60.669 1.00 72.12 O ATOM 110 N HIS 317 0.285 26.133 62.450 1.00104.91 N ATOM 111 CA HIS 317 1.055 24.934 62.626 1.00104.91 C ATOM 112 ND1 HIS 317 4.514 26.432 62.732 1.00104.91 N ATOM 113 CG HIS 317 3.190 26.335 62.369 1.00104.91 C ATOM 114 CB HIS 317 2.493 25.034 62.077 1.00104.91 C ATOM 115 NE2 HIS 317 3.735 28.511 62.607 1.00104.91 N ATOM 116 CD2 HIS 317 2.730 27.615 62.297 1.00104.91 C ATOM 117 CE1 HIS 317 4.787 27.755 62.861 1.00104.91 C ATOM 118 C HIS 317 1.110 24.553 64.072 1.00104.91 C ATOM 119 O HIS 317 1.087 25.399 64.964 1.00104.91 O ATOM 120 N ILE 318 1.198 23.229 64.317 1.00 68.28 N ATOM 121 CA ILE 318 1.191 22.655 65.633 1.00 68.28 C ATOM 122 CB ILE 318 1.284 21.155 65.640 1.00 68.28 C ATOM 123 CG1 ILE 318 0.182 20.515 64.785 1.00 68.28 C ATOM 124 CG2 ILE 318 1.257 20.702 67.109 1.00 68.28 C ATOM 125 CD1 ILE 318 0.423 20.695 63.288 1.00 68.28 C ATOM 126 C ILE 318 2.393 23.126 66.380 1.00 68.28 C ATOM 127 O ILE 318 2.304 23.481 67.553 1.00 68.28 O ATOM 128 N SER 319 3.558 23.142 65.710 1.00 24.67 N ATOM 129 CA SER 319 4.785 23.482 66.365 1.00 24.67 C ATOM 130 CB SER 319 5.987 23.433 65.408 1.00 24.67 C ATOM 131 OG SER 319 5.804 24.375 64.362 1.00 24.67 O ATOM 132 C SER 319 4.694 24.873 66.906 1.00 24.67 C ATOM 133 O SER 319 5.143 25.137 68.020 1.00 24.67 O ATOM 134 N SER 320 4.106 25.805 66.133 1.00 65.20 N ATOM 135 CA SER 320 4.028 27.169 66.576 1.00 65.20 C ATOM 136 CB SER 320 3.408 28.117 65.535 1.00 65.20 C ATOM 137 OG SER 320 2.059 27.758 65.278 1.00 65.20 O ATOM 138 C SER 320 3.166 27.231 67.793 1.00 65.20 C ATOM 139 O SER 320 3.469 27.948 68.745 1.00 65.20 O ATOM 140 N LEU 321 2.056 26.472 67.788 1.00107.39 N ATOM 141 CA LEU 321 1.141 26.475 68.891 1.00107.39 C ATOM 142 CB LEU 321 -0.102 25.611 68.616 1.00107.39 C ATOM 143 CG LEU 321 -1.131 25.523 69.763 1.00107.39 C ATOM 144 CD1 LEU 321 -0.665 24.601 70.902 1.00107.39 C ATOM 145 CD2 LEU 321 -1.519 26.921 70.258 1.00107.39 C ATOM 146 C LEU 321 1.835 25.952 70.109 1.00107.39 C ATOM 147 O LEU 321 1.698 26.510 71.197 1.00107.39 O ATOM 148 N LYS 322 2.642 24.887 69.954 1.00101.81 N ATOM 149 CA LYS 322 3.276 24.266 71.080 1.00101.81 C ATOM 150 CB LYS 322 4.132 23.057 70.672 1.00101.81 C ATOM 151 CG LYS 322 4.704 22.282 71.855 1.00101.81 C ATOM 152 CD LYS 322 5.292 20.932 71.455 1.00101.81 C ATOM 153 CE LYS 322 6.581 20.612 72.208 1.00101.81 C ATOM 154 NZ LYS 322 7.589 21.648 71.899 1.00101.81 N ATOM 155 C LYS 322 4.150 25.269 71.766 1.00101.81 C ATOM 156 O LYS 322 4.142 25.373 72.993 1.00101.81 O ATOM 157 N HIS 323 4.923 26.048 70.992 1.00 93.66 N ATOM 158 CA HIS 323 5.778 27.026 71.597 1.00 93.66 C ATOM 159 ND1 HIS 323 7.792 26.170 68.890 1.00 93.66 N ATOM 160 CG HIS 323 7.796 26.779 70.123 1.00 93.66 C ATOM 161 CB HIS 323 6.729 27.714 70.609 1.00 93.66 C ATOM 162 NE2 HIS 323 9.617 25.461 69.943 1.00 93.66 N ATOM 163 CD2 HIS 323 8.918 26.334 70.755 1.00 93.66 C ATOM 164 CE1 HIS 323 8.903 25.393 68.834 1.00 93.66 C ATOM 165 C HIS 323 4.928 28.068 72.243 1.00 93.66 C ATOM 166 O HIS 323 5.252 28.566 73.321 1.00 93.66 O ATOM 167 N HIS 324 3.796 28.409 71.604 1.00 45.40 N ATOM 168 CA HIS 324 2.923 29.420 72.120 1.00 45.40 C ATOM 169 ND1 HIS 324 0.758 31.931 71.573 1.00 45.40 N ATOM 170 CG HIS 324 0.668 30.574 71.787 1.00 45.40 C ATOM 171 CB HIS 324 1.651 29.570 71.263 1.00 45.40 C ATOM 172 NE2 HIS 324 -1.082 31.600 72.777 1.00 45.40 N ATOM 173 CD2 HIS 324 -0.463 30.390 72.524 1.00 45.40 C ATOM 174 CE1 HIS 324 -0.312 32.497 72.186 1.00 45.40 C ATOM 175 C HIS 324 2.501 29.010 73.491 1.00 45.40 C ATOM 176 O HIS 324 2.544 29.814 74.421 1.00 45.40 O ATOM 177 N ILE 325 2.092 27.740 73.664 1.00 18.23 N ATOM 178 CA ILE 325 1.703 27.325 74.977 1.00 18.23 C ATOM 179 CB ILE 325 1.207 25.909 75.054 1.00 18.23 C ATOM 180 CG1 ILE 325 -0.104 25.753 74.268 1.00 18.23 C ATOM 181 CG2 ILE 325 1.087 25.518 76.536 1.00 18.23 C ATOM 182 CD1 ILE 325 -0.528 24.297 74.088 1.00 18.23 C ATOM 183 C ILE 325 2.938 27.420 75.855 1.00 18.23 C ATOM 184 O ILE 325 2.895 28.210 76.834 1.00 18.23 O ATOM 185 OXT ILE 325 3.939 26.713 75.556 1.00 18.23 O