EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 11:59:09 REMARK 6 MODELLER OBJECTIVE FUNCTION: 78.5181 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 54.545 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1205.44531 REMARK 6 GA341 score: 0.94333 REMARK 6 Normalized DOPE score: -1.16534 REMARK 6 TEMPLATE: 2i13A02 75:A - 96:A MODELS 1: - 22: AT 54.5% ATOM 1 N GLU 228 -15.481 16.920 45.214 1.00 54.23 N ATOM 2 CA GLU 228 -14.567 18.085 45.222 1.00 54.23 C ATOM 3 CB GLU 228 -15.185 19.232 44.408 1.00 54.23 C ATOM 4 CG GLU 228 -16.513 19.726 44.990 1.00 54.23 C ATOM 5 CD GLU 228 -17.074 20.798 44.064 1.00 54.23 C ATOM 6 OE1 GLU 228 -16.256 21.535 43.452 1.00 54.23 O ATOM 7 OE2 GLU 228 -18.326 20.892 43.953 1.00 54.23 O ATOM 8 C GLU 228 -14.359 18.559 46.624 1.00 54.23 C ATOM 9 O GLU 228 -15.011 18.078 47.551 1.00 54.23 O ATOM 10 N LYS 229 -13.413 19.499 46.827 1.00 89.79 N ATOM 11 CA LYS 229 -13.206 19.994 48.158 1.00 89.79 C ATOM 12 CB LYS 229 -11.851 19.605 48.775 1.00 89.79 C ATOM 13 CG LYS 229 -11.724 18.131 49.160 1.00 89.79 C ATOM 14 CD LYS 229 -11.561 17.174 47.980 1.00 89.79 C ATOM 15 CE LYS 229 -11.304 15.731 48.421 1.00 89.79 C ATOM 16 NZ LYS 229 -10.911 14.913 47.257 1.00 89.79 N ATOM 17 C LYS 229 -13.245 21.491 48.123 1.00 89.79 C ATOM 18 O LYS 229 -12.305 22.158 47.696 1.00 89.79 O ATOM 19 N PRO 230 -14.349 22.011 48.574 1.00104.42 N ATOM 20 CA PRO 230 -14.531 23.437 48.602 1.00104.42 C ATOM 21 CD PRO 230 -15.601 21.316 48.322 1.00104.42 C ATOM 22 CB PRO 230 -16.033 23.664 48.750 1.00104.42 C ATOM 23 CG PRO 230 -16.651 22.416 48.101 1.00104.42 C ATOM 24 C PRO 230 -13.728 24.188 49.617 1.00104.42 C ATOM 25 O PRO 230 -13.550 25.389 49.429 1.00104.42 O ATOM 26 N TYR 231 -13.231 23.542 50.689 1.00 56.91 N ATOM 27 CA TYR 231 -12.587 24.333 51.701 1.00 56.91 C ATOM 28 CB TYR 231 -13.051 23.979 53.128 1.00 56.91 C ATOM 29 CG TYR 231 -14.494 24.352 53.244 1.00 56.91 C ATOM 30 CD1 TYR 231 -14.851 25.627 53.615 1.00 56.91 C ATOM 31 CD2 TYR 231 -15.490 23.439 52.983 1.00 56.91 C ATOM 32 CE1 TYR 231 -16.172 25.990 53.726 1.00 56.91 C ATOM 33 CE2 TYR 231 -16.813 23.793 53.092 1.00 56.91 C ATOM 34 CZ TYR 231 -17.157 25.070 53.461 1.00 56.91 C ATOM 35 OH TYR 231 -18.517 25.428 53.571 1.00 56.91 O ATOM 36 C TYR 231 -11.109 24.124 51.617 1.00 56.91 C ATOM 37 O TYR 231 -10.619 23.001 51.737 1.00 56.91 O ATOM 38 N ALA 232 -10.354 25.223 51.409 1.00 31.90 N ATOM 39 CA ALA 232 -8.933 25.107 51.258 1.00 31.90 C ATOM 40 CB ALA 232 -8.415 25.748 49.957 1.00 31.90 C ATOM 41 C ALA 232 -8.262 25.788 52.413 1.00 31.90 C ATOM 42 O ALA 232 -8.719 26.823 52.898 1.00 31.90 O ATOM 43 N CYS 233 -7.159 25.195 52.911 1.00 43.43 N ATOM 44 CA CYS 233 -6.439 25.788 53.999 1.00 43.43 C ATOM 45 CB CYS 233 -5.470 24.810 54.691 1.00 43.43 C ATOM 46 SG CYS 233 -4.567 25.564 56.077 1.00 43.43 S ATOM 47 C CYS 233 -5.654 26.940 53.456 1.00 43.43 C ATOM 48 O CYS 233 -4.955 26.828 52.447 1.00 43.43 O ATOM 49 N SER 234 -5.747 28.096 54.131 1.00 72.37 N ATOM 50 CA SER 234 -5.074 29.267 53.663 1.00 72.37 C ATOM 51 CB SER 234 -5.382 30.497 54.538 1.00 72.37 C ATOM 52 OG SER 234 -4.698 31.639 54.044 1.00 72.37 O ATOM 53 C SER 234 -3.598 29.026 53.699 1.00 72.37 C ATOM 54 O SER 234 -2.881 29.370 52.759 1.00 72.37 O ATOM 55 N GLU 235 -3.100 28.442 54.802 1.00 70.50 N ATOM 56 CA GLU 235 -1.681 28.303 54.951 1.00 70.50 C ATOM 57 CB GLU 235 -1.333 27.873 56.383 1.00 70.50 C ATOM 58 CG GLU 235 0.127 28.087 56.767 1.00 70.50 C ATOM 59 CD GLU 235 0.188 27.951 58.278 1.00 70.50 C ATOM 60 OE1 GLU 235 -0.876 27.635 58.874 1.00 70.50 O ATOM 61 OE2 GLU 235 1.286 28.165 58.856 1.00 70.50 O ATOM 62 C GLU 235 -1.057 27.313 53.999 1.00 70.50 C ATOM 63 O GLU 235 -0.214 27.680 53.180 1.00 70.50 O ATOM 64 N CYS 236 -1.448 26.023 54.111 1.00 63.33 N ATOM 65 CA CYS 236 -0.881 24.949 53.331 1.00 63.33 C ATOM 66 CB CYS 236 -1.078 23.572 53.990 1.00 63.33 C ATOM 67 SG CYS 236 -2.822 23.133 54.252 1.00 63.33 S ATOM 68 C CYS 236 -1.403 24.896 51.926 1.00 63.33 C ATOM 69 O CYS 236 -0.645 24.663 50.984 1.00 63.33 O ATOM 70 N GLY 237 -2.720 25.119 51.740 1.00 30.18 N ATOM 71 CA GLY 237 -3.297 25.033 50.426 1.00 30.18 C ATOM 72 C GLY 237 -3.985 23.704 50.248 1.00 30.18 C ATOM 73 O GLY 237 -4.502 23.419 49.168 1.00 30.18 O ATOM 74 N LYS 238 -4.013 22.844 51.290 1.00 47.80 N ATOM 75 CA LYS 238 -4.667 21.563 51.160 1.00 47.80 C ATOM 76 CB LYS 238 -4.372 20.575 52.305 1.00 47.80 C ATOM 77 CG LYS 238 -4.999 19.195 52.084 1.00 47.80 C ATOM 78 CD LYS 238 -4.443 18.108 53.010 1.00 47.80 C ATOM 79 CE LYS 238 -5.081 16.734 52.792 1.00 47.80 C ATOM 80 NZ LYS 238 -4.552 15.764 53.779 1.00 47.80 N ATOM 81 C LYS 238 -6.152 21.786 51.131 1.00 47.80 C ATOM 82 O LYS 238 -6.664 22.699 51.779 1.00 47.80 O ATOM 83 N ARG 239 -6.891 20.940 50.377 1.00100.09 N ATOM 84 CA ARG 239 -8.308 21.141 50.203 1.00100.09 C ATOM 85 CB ARG 239 -8.723 21.108 48.720 1.00100.09 C ATOM 86 CG ARG 239 -7.913 22.066 47.844 1.00100.09 C ATOM 87 CD ARG 239 -8.110 21.852 46.342 1.00100.09 C ATOM 88 NE ARG 239 -9.025 22.914 45.845 1.00100.09 N ATOM 89 CZ ARG 239 -9.407 22.913 44.535 1.00100.09 C ATOM 90 NH1 ARG 239 -9.007 21.909 43.702 1.00100.09 N ATOM 91 NH2 ARG 239 -10.192 23.918 44.055 1.00100.09 N ATOM 92 C ARG 239 -9.048 20.020 50.880 1.00100.09 C ATOM 93 O ARG 239 -8.575 18.885 50.913 1.00100.09 O ATOM 94 N TYR 240 -10.244 20.324 51.440 1.00 74.59 N ATOM 95 CA TYR 240 -11.038 19.346 52.145 1.00 74.59 C ATOM 96 CB TYR 240 -11.045 19.555 53.672 1.00 74.59 C ATOM 97 CG TYR 240 -9.703 19.199 54.214 1.00 74.59 C ATOM 98 CD1 TYR 240 -9.445 17.905 54.600 1.00 74.59 C ATOM 99 CD2 TYR 240 -8.706 20.142 54.328 1.00 74.59 C ATOM 100 CE1 TYR 240 -8.217 17.553 55.105 1.00 74.59 C ATOM 101 CE2 TYR 240 -7.474 19.796 54.832 1.00 74.59 C ATOM 102 CZ TYR 240 -7.230 18.499 55.219 1.00 74.59 C ATOM 103 OH TYR 240 -5.970 18.136 55.737 1.00 74.59 O ATOM 104 C TYR 240 -12.478 19.411 51.706 1.00 74.59 C ATOM 105 O TYR 240 -12.996 20.465 51.339 1.00 74.59 O ATOM 106 N THR 241 -13.155 18.244 51.705 1.00108.60 N ATOM 107 CA THR 241 -14.551 18.152 51.375 1.00108.60 C ATOM 108 CB THR 241 -15.037 16.745 51.177 1.00108.60 C ATOM 109 OG1 THR 241 -16.354 16.753 50.645 1.00108.60 O ATOM 110 CG2 THR 241 -15.013 16.016 52.530 1.00108.60 C ATOM 111 C THR 241 -15.358 18.742 52.485 1.00108.60 C ATOM 112 O THR 241 -16.430 19.304 52.256 1.00108.60 O ATOM 113 N GLU 242 -14.869 18.603 53.731 1.00 79.96 N ATOM 114 CA GLU 242 -15.660 19.030 54.845 1.00 79.96 C ATOM 115 CB GLU 242 -15.903 17.873 55.818 1.00 79.96 C ATOM 116 CG GLU 242 -16.998 18.148 56.840 1.00 79.96 C ATOM 117 CD GLU 242 -17.229 16.851 57.595 1.00 79.96 C ATOM 118 OE1 GLU 242 -16.306 15.994 57.580 1.00 79.96 O ATOM 119 OE2 GLU 242 -18.327 16.696 58.192 1.00 79.96 O ATOM 120 C GLU 242 -14.971 20.136 55.586 1.00 79.96 C ATOM 121 O GLU 242 -13.750 20.143 55.743 1.00 79.96 O ATOM 122 N GLN 243 -15.762 21.116 56.064 1.00 40.52 N ATOM 123 CA GLN 243 -15.217 22.231 56.778 1.00 40.52 C ATOM 124 CB GLN 243 -16.246 23.340 57.041 1.00 40.52 C ATOM 125 CG GLN 243 -15.613 24.620 57.591 1.00 40.52 C ATOM 126 CD GLN 243 -16.700 25.683 57.670 1.00 40.52 C ATOM 127 OE1 GLN 243 -17.456 25.883 56.721 1.00 40.52 O ATOM 128 NE2 GLN 243 -16.788 26.390 58.828 1.00 40.52 N ATOM 129 C GLN 243 -14.667 21.752 58.086 1.00 40.52 C ATOM 130 O GLN 243 -13.621 22.216 58.538 1.00 40.52 O ATOM 131 N SER 244 -15.351 20.788 58.725 1.00 65.63 N ATOM 132 CA SER 244 -14.921 20.328 60.013 1.00 65.63 C ATOM 133 CB SER 244 -15.812 19.201 60.562 1.00 65.63 C ATOM 134 OG SER 244 -17.143 19.668 60.722 1.00 65.63 O ATOM 135 C SER 244 -13.541 19.770 59.888 1.00 65.63 C ATOM 136 O SER 244 -12.691 20.015 60.744 1.00 65.63 O ATOM 137 N THR 245 -13.280 19.012 58.804 1.00 98.19 N ATOM 138 CA THR 245 -12.002 18.382 58.635 1.00 98.19 C ATOM 139 CB THR 245 -11.918 17.503 57.420 1.00 98.19 C ATOM 140 OG1 THR 245 -12.039 18.277 56.235 1.00 98.19 O ATOM 141 CG2 THR 245 -13.043 16.457 57.496 1.00 98.19 C ATOM 142 C THR 245 -10.954 19.433 58.483 1.00 98.19 C ATOM 143 O THR 245 -9.866 19.318 59.045 1.00 98.19 O ATOM 144 N LEU 246 -11.252 20.497 57.720 1.00 47.97 N ATOM 145 CA LEU 246 -10.248 21.491 57.487 1.00 47.97 C ATOM 146 CB LEU 246 -10.692 22.585 56.500 1.00 47.97 C ATOM 147 CG LEU 246 -9.560 23.574 56.168 1.00 47.97 C ATOM 148 CD1 LEU 246 -8.377 22.844 55.511 1.00 47.97 C ATOM 149 CD2 LEU 246 -10.068 24.755 55.331 1.00 47.97 C ATOM 150 C LEU 246 -9.894 22.139 58.789 1.00 47.97 C ATOM 151 O LEU 246 -8.726 22.377 59.080 1.00 47.97 O ATOM 152 N ARG 247 -10.902 22.410 59.635 1.00 36.57 N ATOM 153 CA ARG 247 -10.640 23.082 60.871 1.00 36.57 C ATOM 154 CB ARG 247 -11.918 23.342 61.680 1.00 36.57 C ATOM 155 CG ARG 247 -12.823 24.368 60.995 1.00 36.57 C ATOM 156 CD ARG 247 -13.944 24.913 61.880 1.00 36.57 C ATOM 157 NE ARG 247 -14.551 26.058 61.144 1.00 36.57 N ATOM 158 CZ ARG 247 -13.984 27.296 61.236 1.00 36.57 C ATOM 159 NH1 ARG 247 -12.880 27.484 62.016 1.00 36.57 N ATOM 160 NH2 ARG 247 -14.511 28.345 60.539 1.00 36.57 N ATOM 161 C ARG 247 -9.706 22.242 61.676 1.00 36.57 C ATOM 162 O ARG 247 -8.763 22.754 62.279 1.00 36.57 O ATOM 163 N ARG 248 -9.933 20.917 61.680 1.00122.62 N ATOM 164 CA ARG 248 -9.101 20.034 62.438 1.00122.62 C ATOM 165 CB ARG 248 -9.549 18.570 62.310 1.00122.62 C ATOM 166 CG ARG 248 -8.863 17.632 63.301 1.00122.62 C ATOM 167 CD ARG 248 -9.229 16.165 63.078 1.00122.62 C ATOM 168 NE ARG 248 -8.115 15.544 62.310 1.00122.62 N ATOM 169 CZ ARG 248 -7.069 14.975 62.976 1.00122.62 C ATOM 170 NH1 ARG 248 -7.077 14.929 64.341 1.00122.62 N ATOM 171 NH2 ARG 248 -6.022 14.451 62.275 1.00122.62 N ATOM 172 C ARG 248 -7.705 20.135 61.905 1.00122.62 C ATOM 173 O ARG 248 -6.749 20.236 62.671 1.00122.62 O ATOM 174 N HIS 249 -7.559 20.143 60.565 1.00 34.01 N ATOM 175 CA HIS 249 -6.257 20.181 59.964 1.00 34.01 C ATOM 176 ND1 HIS 249 -4.149 18.578 57.975 1.00 34.01 N ATOM 177 CG HIS 249 -4.914 19.718 57.855 1.00 34.01 C ATOM 178 CB HIS 249 -6.280 19.873 58.457 1.00 34.01 C ATOM 179 NE2 HIS 249 -2.966 20.008 56.751 1.00 34.01 N ATOM 180 CD2 HIS 249 -4.176 20.580 57.106 1.00 34.01 C ATOM 181 CE1 HIS 249 -2.997 18.806 57.297 1.00 34.01 C ATOM 182 C HIS 249 -5.657 21.572 60.147 1.00 34.01 C ATOM 183 O HIS 249 -4.550 21.662 60.742 1.00 34.01 O ATOM 184 OXT HIS 249 -6.283 22.563 59.691 1.00 34.01 O