EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:02:15 REMARK 6 MODELLER OBJECTIVE FUNCTION: 114.0580 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 50.000 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1750.90894 REMARK 6 GA341 score: 0.79807 REMARK 6 Normalized DOPE score: 0.49817 REMARK 6 TEMPLATE: 2em6A01 12:A - 39:A MODELS 1: - 28: AT 50.0% ATOM 1 N CYS 65 6.380 -19.524 1.847 1.00 65.30 N ATOM 2 CA CYS 65 5.182 -18.746 1.484 1.00 65.30 C ATOM 3 CB CYS 65 4.178 -18.722 2.650 1.00 65.30 C ATOM 4 SG CYS 65 4.831 -17.852 4.106 1.00 65.30 S ATOM 5 C CYS 65 5.566 -17.340 1.176 1.00 65.30 C ATOM 6 O CYS 65 6.494 -16.797 1.776 1.00 65.30 O ATOM 7 N PHE 66 4.863 -16.709 0.215 1.00 61.54 N ATOM 8 CA PHE 66 5.207 -15.354 -0.089 1.00 61.54 C ATOM 9 CB PHE 66 4.396 -14.708 -1.226 1.00 61.54 C ATOM 10 CG PHE 66 4.959 -15.168 -2.528 1.00 61.54 C ATOM 11 CD1 PHE 66 6.065 -14.541 -3.049 1.00 61.54 C ATOM 12 CD2 PHE 66 4.386 -16.204 -3.228 1.00 61.54 C ATOM 13 CE1 PHE 66 6.602 -14.942 -4.250 1.00 61.54 C ATOM 14 CE2 PHE 66 4.920 -16.609 -4.430 1.00 61.54 C ATOM 15 CZ PHE 66 6.030 -15.983 -4.938 1.00 61.54 C ATOM 16 C PHE 66 4.986 -14.541 1.133 1.00 61.54 C ATOM 17 O PHE 66 3.883 -14.487 1.676 1.00 61.54 O ATOM 18 N THR 67 6.059 -13.863 1.576 1.00 97.60 N ATOM 19 CA THR 67 5.999 -13.063 2.756 1.00 97.60 C ATOM 20 CB THR 67 7.039 -13.433 3.771 1.00 97.60 C ATOM 21 OG1 THR 67 6.843 -12.693 4.968 1.00 97.60 O ATOM 22 CG2 THR 67 8.428 -13.128 3.178 1.00 97.60 C ATOM 23 C THR 67 6.289 -11.663 2.343 1.00 97.60 C ATOM 24 O THR 67 6.991 -11.423 1.364 1.00 97.60 O ATOM 25 N CYS 68 5.721 -10.694 3.080 1.00 37.41 N ATOM 26 CA CYS 68 5.971 -9.320 2.778 1.00 37.41 C ATOM 27 CB CYS 68 4.744 -8.412 2.987 1.00 37.41 C ATOM 28 SG CYS 68 5.080 -6.669 2.596 1.00 37.41 S ATOM 29 C CYS 68 7.035 -8.866 3.716 1.00 37.41 C ATOM 30 O CYS 68 6.906 -8.991 4.929 1.00 37.41 O ATOM 31 N THR 69 8.143 -8.345 3.169 1.00117.08 N ATOM 32 CA THR 69 9.220 -7.936 4.019 1.00117.08 C ATOM 33 CB THR 69 10.503 -7.663 3.289 1.00117.08 C ATOM 34 OG1 THR 69 11.563 -7.505 4.221 1.00117.08 O ATOM 35 CG2 THR 69 10.342 -6.391 2.450 1.00117.08 C ATOM 36 C THR 69 8.851 -6.713 4.802 1.00117.08 C ATOM 37 O THR 69 9.331 -6.533 5.921 1.00117.08 O ATOM 38 N GLN 70 8.043 -5.805 4.220 1.00109.02 N ATOM 39 CA GLN 70 7.789 -4.574 4.916 1.00109.02 C ATOM 40 CB GLN 70 7.040 -3.547 4.047 1.00109.02 C ATOM 41 CG GLN 70 7.873 -2.969 2.897 1.00109.02 C ATOM 42 CD GLN 70 7.929 -3.976 1.756 1.00109.02 C ATOM 43 OE1 GLN 70 6.927 -4.594 1.402 1.00109.02 O ATOM 44 NE2 GLN 70 9.138 -4.139 1.152 1.00109.02 N ATOM 45 C GLN 70 6.999 -4.732 6.191 1.00109.02 C ATOM 46 O GLN 70 7.500 -4.407 7.267 1.00109.02 O ATOM 47 N CYS 71 5.733 -5.202 6.097 1.00 71.45 N ATOM 48 CA CYS 71 4.849 -5.367 7.228 1.00 71.45 C ATOM 49 CB CYS 71 3.365 -5.357 6.831 1.00 71.45 C ATOM 50 SG CYS 71 2.920 -6.733 5.731 1.00 71.45 S ATOM 51 C CYS 71 5.095 -6.626 8.009 1.00 71.45 C ATOM 52 O CYS 71 5.062 -6.604 9.240 1.00 71.45 O ATOM 53 N GLY 72 5.391 -7.752 7.318 1.00 46.96 N ATOM 54 CA GLY 72 5.495 -9.025 7.983 1.00 46.96 C ATOM 55 C GLY 72 4.210 -9.805 7.829 1.00 46.96 C ATOM 56 O GLY 72 3.692 -10.358 8.798 1.00 46.96 O ATOM 57 N LYS 73 3.661 -9.850 6.591 1.00123.43 N ATOM 58 CA LYS 73 2.441 -10.538 6.248 1.00123.43 C ATOM 59 CB LYS 73 1.557 -9.680 5.323 1.00123.43 C ATOM 60 CG LYS 73 0.086 -10.084 5.232 1.00123.43 C ATOM 61 CD LYS 73 -0.739 -9.639 6.441 1.00123.43 C ATOM 62 CE LYS 73 -2.247 -9.849 6.272 1.00123.43 C ATOM 63 NZ LYS 73 -2.786 -8.882 5.291 1.00123.43 N ATOM 64 C LYS 73 2.822 -11.762 5.453 1.00123.43 C ATOM 65 O LYS 73 3.956 -11.863 4.984 1.00123.43 O ATOM 66 N SER 74 1.897 -12.743 5.306 1.00 40.54 N ATOM 67 CA SER 74 2.195 -13.913 4.520 1.00 40.54 C ATOM 68 CB SER 74 2.666 -15.111 5.367 1.00 40.54 C ATOM 69 OG SER 74 1.630 -15.524 6.247 1.00 40.54 O ATOM 70 C SER 74 0.949 -14.339 3.793 1.00 40.54 C ATOM 71 O SER 74 -0.149 -14.285 4.345 1.00 40.54 O ATOM 72 N LEU 75 1.101 -14.779 2.522 1.00 98.32 N ATOM 73 CA LEU 75 -0.015 -15.224 1.728 1.00 98.32 C ATOM 74 CB LEU 75 -0.473 -14.216 0.655 1.00 98.32 C ATOM 75 CG LEU 75 -1.265 -13.017 1.213 1.00 98.32 C ATOM 76 CD1 LEU 75 -2.640 -13.467 1.734 1.00 98.32 C ATOM 77 CD2 LEU 75 -0.462 -12.241 2.267 1.00 98.32 C ATOM 78 C LEU 75 0.346 -16.493 1.018 1.00 98.32 C ATOM 79 O LEU 75 1.519 -16.837 0.874 1.00 98.32 O ATOM 80 N ALA 76 -0.696 -17.272 0.653 1.00 44.55 N ATOM 81 CA ALA 76 -0.570 -18.497 -0.085 1.00 44.55 C ATOM 82 CB ALA 76 -1.869 -19.320 -0.095 1.00 44.55 C ATOM 83 C ALA 76 -0.191 -18.263 -1.519 1.00 44.55 C ATOM 84 O ALA 76 0.703 -18.925 -2.044 1.00 44.55 O ATOM 85 N ILE 77 -0.843 -17.285 -2.184 1.00124.91 N ATOM 86 CA ILE 77 -0.651 -17.099 -3.596 1.00124.91 C ATOM 87 CB ILE 77 -1.935 -17.008 -4.366 1.00124.91 C ATOM 88 CG1 ILE 77 -1.669 -17.085 -5.877 1.00124.91 C ATOM 89 CG2 ILE 77 -2.653 -15.724 -3.921 1.00124.91 C ATOM 90 CD1 ILE 77 -1.157 -18.449 -6.335 1.00124.91 C ATOM 91 C ILE 77 0.089 -15.824 -3.817 1.00124.91 C ATOM 92 O ILE 77 -0.030 -14.877 -3.042 1.00124.91 O ATOM 93 N LYS 78 0.894 -15.783 -4.897 1.00 98.39 N ATOM 94 CA LYS 78 1.719 -14.642 -5.159 1.00 98.39 C ATOM 95 CB LYS 78 2.588 -14.786 -6.419 1.00 98.39 C ATOM 96 CG LYS 78 1.786 -14.702 -7.720 1.00 98.39 C ATOM 97 CD LYS 78 2.656 -14.441 -8.953 1.00 98.39 C ATOM 98 CE LYS 78 1.861 -14.325 -10.254 1.00 98.39 C ATOM 99 NZ LYS 78 1.411 -15.663 -10.694 1.00 98.39 N ATOM 100 C LYS 78 0.863 -13.433 -5.369 1.00 98.39 C ATOM 101 O LYS 78 1.177 -12.355 -4.869 1.00 98.39 O ATOM 102 N SER 79 -0.257 -13.583 -6.099 1.00 72.30 N ATOM 103 CA SER 79 -1.064 -12.448 -6.445 1.00 72.30 C ATOM 104 CB SER 79 -2.313 -12.832 -7.259 1.00 72.30 C ATOM 105 OG SER 79 -3.186 -13.635 -6.479 1.00 72.30 O ATOM 106 C SER 79 -1.534 -11.762 -5.205 1.00 72.30 C ATOM 107 O SER 79 -1.485 -10.537 -5.107 1.00 72.30 O ATOM 108 N LYS 80 -1.963 -12.536 -4.196 1.00 37.57 N ATOM 109 CA LYS 80 -2.518 -11.922 -3.029 1.00 37.57 C ATOM 110 CB LYS 80 -3.004 -12.950 -1.990 1.00 37.57 C ATOM 111 CG LYS 80 -4.297 -13.638 -2.440 1.00 37.57 C ATOM 112 CD LYS 80 -4.703 -14.865 -1.624 1.00 37.57 C ATOM 113 CE LYS 80 -6.020 -15.487 -2.096 1.00 37.57 C ATOM 114 NZ LYS 80 -6.323 -16.697 -1.300 1.00 37.57 N ATOM 115 C LYS 80 -1.496 -11.024 -2.410 1.00 37.57 C ATOM 116 O LYS 80 -1.815 -9.917 -1.982 1.00 37.57 O ATOM 117 N LEU 81 -0.230 -11.465 -2.362 1.00 42.44 N ATOM 118 CA LEU 81 0.793 -10.655 -1.769 1.00 42.44 C ATOM 119 CB LEU 81 2.153 -11.368 -1.742 1.00 42.44 C ATOM 120 CG LEU 81 3.276 -10.524 -1.117 1.00 42.44 C ATOM 121 CD1 LEU 81 2.993 -10.225 0.365 1.00 42.44 C ATOM 122 CD2 LEU 81 4.648 -11.174 -1.342 1.00 42.44 C ATOM 123 C LEU 81 0.968 -9.407 -2.577 1.00 42.44 C ATOM 124 O LEU 81 1.051 -8.308 -2.032 1.00 42.44 O ATOM 125 N LYS 82 0.978 -9.543 -3.916 1.00 89.77 N ATOM 126 CA LYS 82 1.269 -8.411 -4.743 1.00 89.77 C ATOM 127 CB LYS 82 1.273 -8.734 -6.247 1.00 89.77 C ATOM 128 CG LYS 82 1.593 -7.510 -7.112 1.00 89.77 C ATOM 129 CD LYS 82 2.008 -7.856 -8.543 1.00 89.77 C ATOM 130 CE LYS 82 3.485 -8.233 -8.675 1.00 89.77 C ATOM 131 NZ LYS 82 3.804 -8.552 -10.085 1.00 89.77 N ATOM 132 C LYS 82 0.249 -7.348 -4.503 1.00 89.77 C ATOM 133 O LYS 82 0.588 -6.169 -4.419 1.00 89.77 O ATOM 134 N ILE 83 -1.032 -7.730 -4.372 1.00 85.39 N ATOM 135 CA ILE 83 -2.045 -6.733 -4.187 1.00 85.39 C ATOM 136 CB ILE 83 -3.446 -7.277 -4.211 1.00 85.39 C ATOM 137 CG1 ILE 83 -3.695 -8.233 -3.038 1.00 85.39 C ATOM 138 CG2 ILE 83 -3.682 -7.909 -5.590 1.00 85.39 C ATOM 139 CD1 ILE 83 -5.170 -8.587 -2.854 1.00 85.39 C ATOM 140 C ILE 83 -1.827 -6.038 -2.877 1.00 85.39 C ATOM 141 O ILE 83 -1.967 -4.820 -2.788 1.00 85.39 O ATOM 142 N HIS 84 -1.471 -6.799 -1.824 1.00 65.80 N ATOM 143 CA HIS 84 -1.286 -6.262 -0.502 1.00 65.80 C ATOM 144 ND1 HIS 84 -1.285 -6.309 2.836 1.00 65.80 N ATOM 145 CG HIS 84 -0.447 -6.746 1.835 1.00 65.80 C ATOM 146 CB HIS 84 -0.889 -7.335 0.526 1.00 65.80 C ATOM 147 NE2 HIS 84 0.793 -5.948 3.545 1.00 65.80 N ATOM 148 CD2 HIS 84 0.817 -6.520 2.285 1.00 65.80 C ATOM 149 CE1 HIS 84 -0.491 -5.841 3.835 1.00 65.80 C ATOM 150 C HIS 84 -0.197 -5.241 -0.487 1.00 65.80 C ATOM 151 O HIS 84 -0.352 -4.163 0.087 1.00 65.80 O ATOM 152 N LEU 85 0.911 -5.528 -1.182 1.00 65.21 N ATOM 153 CA LEU 85 2.086 -4.710 -1.139 1.00 65.21 C ATOM 154 CB LEU 85 3.177 -5.219 -2.091 1.00 65.21 C ATOM 155 CG LEU 85 3.599 -6.673 -1.797 1.00 65.21 C ATOM 156 CD1 LEU 85 4.746 -7.125 -2.715 1.00 65.21 C ATOM 157 CD2 LEU 85 3.902 -6.877 -0.304 1.00 65.21 C ATOM 158 C LEU 85 1.715 -3.329 -1.564 1.00 65.21 C ATOM 159 O LEU 85 2.316 -2.352 -1.119 1.00 65.21 O ATOM 160 N ARG 86 0.689 -3.210 -2.420 1.00 59.83 N ATOM 161 CA ARG 86 0.295 -1.939 -2.952 1.00 59.83 C ATOM 162 CB ARG 86 -1.029 -1.998 -3.732 1.00 59.83 C ATOM 163 CG ARG 86 -0.990 -2.744 -5.065 1.00 59.83 C ATOM 164 CD ARG 86 -2.390 -2.878 -5.669 1.00 59.83 C ATOM 165 NE ARG 86 -2.273 -3.413 -7.054 1.00 59.83 N ATOM 166 CZ ARG 86 -2.297 -2.546 -8.107 1.00 59.83 C ATOM 167 NH1 ARG 86 -2.366 -1.202 -7.879 1.00 59.83 N ATOM 168 NH2 ARG 86 -2.268 -3.027 -9.387 1.00 59.83 N ATOM 169 C ARG 86 0.030 -1.009 -1.814 1.00 59.83 C ATOM 170 O ARG 86 0.347 0.176 -1.895 1.00 59.83 O ATOM 171 N ILE 87 -0.536 -1.522 -0.709 1.00118.60 N ATOM 172 CA ILE 87 -0.906 -0.667 0.380 1.00118.60 C ATOM 173 CB ILE 87 -1.495 -1.424 1.541 1.00118.60 C ATOM 174 CG1 ILE 87 -2.157 -0.450 2.531 1.00118.60 C ATOM 175 CG2 ILE 87 -0.403 -2.312 2.163 1.00118.60 C ATOM 176 CD1 ILE 87 -3.057 -1.144 3.554 1.00118.60 C ATOM 177 C ILE 87 0.305 0.082 0.842 1.00118.60 C ATOM 178 O ILE 87 0.228 1.274 1.135 1.00118.60 O ATOM 179 N HIS 88 1.462 -0.594 0.921 1.00 56.73 N ATOM 180 CA HIS 88 2.640 0.081 1.367 1.00 56.73 C ATOM 181 ND1 HIS 88 3.305 -1.561 3.997 1.00 56.73 N ATOM 182 CG HIS 88 3.477 -1.881 2.670 1.00 56.73 C ATOM 183 CB HIS 88 3.814 -0.877 1.609 1.00 56.73 C ATOM 184 NE2 HIS 88 2.948 -3.749 3.817 1.00 56.73 N ATOM 185 CD2 HIS 88 3.259 -3.221 2.578 1.00 56.73 C ATOM 186 CE1 HIS 88 2.987 -2.714 4.639 1.00 56.73 C ATOM 187 C HIS 88 3.063 1.112 0.363 1.00 56.73 C ATOM 188 O HIS 88 3.397 2.235 0.741 1.00 56.73 O ATOM 189 N THR 89 3.046 0.775 -0.944 1.00136.56 N ATOM 190 CA THR 89 3.549 1.741 -1.889 1.00136.56 C ATOM 191 CB THR 89 4.669 1.190 -2.734 1.00136.56 C ATOM 192 OG1 THR 89 5.125 2.177 -3.647 1.00136.56 O ATOM 193 CG2 THR 89 4.202 -0.080 -3.468 1.00136.56 C ATOM 194 C THR 89 2.464 2.265 -2.789 1.00136.56 C ATOM 195 O THR 89 2.133 1.674 -3.817 1.00136.56 O ATOM 196 N GLY 90 1.831 3.383 -2.369 1.00 45.42 N ATOM 197 CA GLY 90 0.847 4.080 -3.147 1.00 45.42 C ATOM 198 C GLY 90 1.472 4.917 -4.230 1.00 45.42 C ATOM 199 O GLY 90 0.984 4.963 -5.359 1.00 45.42 O ATOM 200 N GLU 91 2.583 5.605 -3.897 1.00123.97 N ATOM 201 CA GLU 91 3.153 6.616 -4.746 1.00123.97 C ATOM 202 CB GLU 91 4.378 7.289 -4.105 1.00123.97 C ATOM 203 CG GLU 91 4.053 8.058 -2.822 1.00123.97 C ATOM 204 CD GLU 91 3.209 9.271 -3.188 1.00123.97 C ATOM 205 OE1 GLU 91 2.869 9.415 -4.392 1.00123.97 O ATOM 206 OE2 GLU 91 2.892 10.069 -2.266 1.00123.97 O ATOM 207 C GLU 91 3.594 6.072 -6.065 1.00123.97 C ATOM 208 O GLU 91 3.233 6.616 -7.108 1.00123.97 O ATOM 209 N LYS 92 4.371 4.976 -6.073 1.00 81.47 N ATOM 210 CA LYS 92 4.850 4.511 -7.340 1.00 81.47 C ATOM 211 CB LYS 92 6.278 3.947 -7.275 1.00 81.47 C ATOM 212 CG LYS 92 6.837 3.547 -8.642 1.00 81.47 C ATOM 213 CD LYS 92 8.351 3.322 -8.638 1.00 81.47 C ATOM 214 CE LYS 92 8.907 2.842 -9.982 1.00 81.47 C ATOM 215 NZ LYS 92 8.956 3.965 -10.946 1.00 81.47 N ATOM 216 C LYS 92 3.930 3.397 -7.818 1.00 81.47 C ATOM 217 O LYS 92 4.017 2.276 -7.245 1.00 81.47 O ATOM 218 OXT LYS 92 3.136 3.646 -8.761 1.00 81.47 O