EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:01:01 REMARK 6 MODELLER OBJECTIVE FUNCTION: 104.5163 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 52.174 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1385.90747 REMARK 6 GA341 score: 0.99385 REMARK 6 Normalized DOPE score: -0.96002 REMARK 6 TEMPLATE: 2i13A02 75:A - 97:A MODELS 1: - 23: AT 52.2% ATOM 1 N GLU 231 -2.924 26.109 48.006 1.00 73.67 N ATOM 2 CA GLU 231 -3.414 27.387 48.563 1.00 73.67 C ATOM 3 CB GLU 231 -4.334 28.080 47.548 1.00 73.67 C ATOM 4 CG GLU 231 -4.889 29.412 48.044 1.00 73.67 C ATOM 5 CD GLU 231 -3.725 30.383 48.125 1.00 73.67 C ATOM 6 OE1 GLU 231 -3.033 30.556 47.087 1.00 73.67 O ATOM 7 OE2 GLU 231 -3.501 30.955 49.224 1.00 73.67 O ATOM 8 C GLU 231 -4.192 27.119 49.804 1.00 73.67 C ATOM 9 O GLU 231 -3.675 27.216 50.917 1.00 73.67 O ATOM 10 N LYS 232 -5.480 26.772 49.643 1.00108.03 N ATOM 11 CA LYS 232 -6.272 26.505 50.801 1.00108.03 C ATOM 12 CB LYS 232 -7.639 27.190 50.693 1.00108.03 C ATOM 13 CG LYS 232 -7.455 28.712 50.651 1.00108.03 C ATOM 14 CD LYS 232 -8.640 29.501 50.095 1.00108.03 C ATOM 15 CE LYS 232 -8.755 29.432 48.571 1.00108.03 C ATOM 16 NZ LYS 232 -9.437 28.177 48.188 1.00108.03 N ATOM 17 C LYS 232 -6.405 25.017 50.906 1.00108.03 C ATOM 18 O LYS 232 -7.171 24.362 50.207 1.00108.03 O ATOM 19 N PRO 233 -5.606 24.507 51.797 1.00124.73 N ATOM 20 CA PRO 233 -5.417 23.103 52.047 1.00124.73 C ATOM 21 CD PRO 233 -4.849 25.346 52.707 1.00124.73 C ATOM 22 CB PRO 233 -4.273 23.028 53.057 1.00124.73 C ATOM 23 CG PRO 233 -4.324 24.384 53.782 1.00124.73 C ATOM 24 C PRO 233 -6.609 22.336 52.531 1.00124.73 C ATOM 25 O PRO 233 -6.661 21.131 52.289 1.00124.73 O ATOM 26 N PHE 234 -7.574 22.976 53.217 1.00 58.73 N ATOM 27 CA PHE 234 -8.630 22.183 53.784 1.00 58.73 C ATOM 28 CB PHE 234 -9.021 22.666 55.194 1.00 58.73 C ATOM 29 CG PHE 234 -7.788 22.615 56.037 1.00 58.73 C ATOM 30 CD1 PHE 234 -7.371 21.439 56.619 1.00 58.73 C ATOM 31 CD2 PHE 234 -7.039 23.756 56.240 1.00 58.73 C ATOM 32 CE1 PHE 234 -6.233 21.407 57.394 1.00 58.73 C ATOM 33 CE2 PHE 234 -5.902 23.728 57.013 1.00 58.73 C ATOM 34 CZ PHE 234 -5.496 22.549 57.590 1.00 58.73 C ATOM 35 C PHE 234 -9.840 22.279 52.904 1.00 58.73 C ATOM 36 O PHE 234 -10.409 23.354 52.730 1.00 58.73 O ATOM 37 N THR 235 -10.286 21.139 52.334 1.00104.33 N ATOM 38 CA THR 235 -11.424 21.206 51.465 1.00104.33 C ATOM 39 CB THR 235 -11.176 20.607 50.107 1.00104.33 C ATOM 40 OG1 THR 235 -10.787 19.249 50.236 1.00104.33 O ATOM 41 CG2 THR 235 -10.072 21.413 49.401 1.00104.33 C ATOM 42 C THR 235 -12.574 20.501 52.115 1.00104.33 C ATOM 43 O THR 235 -12.411 19.475 52.776 1.00104.33 O ATOM 44 N CYS 236 -13.777 21.094 51.967 1.00 42.86 N ATOM 45 CA CYS 236 -14.984 20.558 52.526 1.00 42.86 C ATOM 46 CB CYS 236 -16.158 21.555 52.508 1.00 42.86 C ATOM 47 SG CYS 236 -17.677 20.856 53.219 1.00 42.86 S ATOM 48 C CYS 236 -15.392 19.375 51.714 1.00 42.86 C ATOM 49 O CYS 236 -15.422 19.422 50.485 1.00 42.86 O ATOM 50 N THR 237 -15.730 18.273 52.405 1.00 41.77 N ATOM 51 CA THR 237 -16.125 17.064 51.750 1.00 41.77 C ATOM 52 CB THR 237 -16.341 15.952 52.729 1.00 41.77 C ATOM 53 OG1 THR 237 -15.164 15.745 53.494 1.00 41.77 O ATOM 54 CG2 THR 237 -16.680 14.673 51.951 1.00 41.77 C ATOM 55 C THR 237 -17.426 17.283 51.040 1.00 41.77 C ATOM 56 O THR 237 -17.625 16.796 49.926 1.00 41.77 O ATOM 57 N GLN 238 -18.377 17.974 51.698 1.00114.97 N ATOM 58 CA GLN 238 -19.672 18.112 51.089 1.00114.97 C ATOM 59 CB GLN 238 -20.703 18.711 52.054 1.00114.97 C ATOM 60 CG GLN 238 -20.918 17.914 53.339 1.00114.97 C ATOM 61 CD GLN 238 -21.954 18.673 54.153 1.00114.97 C ATOM 62 OE1 GLN 238 -22.956 19.137 53.613 1.00114.97 O ATOM 63 NE2 GLN 238 -21.705 18.821 55.481 1.00114.97 N ATOM 64 C GLN 238 -19.686 19.023 49.894 1.00114.97 C ATOM 65 O GLN 238 -19.975 18.593 48.777 1.00114.97 O ATOM 66 N CYS 239 -19.377 20.320 50.126 1.00 67.27 N ATOM 67 CA CYS 239 -19.453 21.341 49.112 1.00 67.27 C ATOM 68 CB CYS 239 -19.680 22.759 49.678 1.00 67.27 C ATOM 69 SG CYS 239 -18.381 23.318 50.814 1.00 67.27 S ATOM 70 C CYS 239 -18.279 21.353 48.181 1.00 67.27 C ATOM 71 O CYS 239 -18.431 21.618 46.990 1.00 67.27 O ATOM 72 N GLY 240 -17.066 21.078 48.693 1.00 27.44 N ATOM 73 CA GLY 240 -15.913 21.137 47.839 1.00 27.44 C ATOM 74 C GLY 240 -15.238 22.473 47.987 1.00 27.44 C ATOM 75 O GLY 240 -14.250 22.749 47.305 1.00 27.44 O ATOM 76 N LYS 241 -15.750 23.348 48.876 1.00 58.53 N ATOM 77 CA LYS 241 -15.140 24.639 49.058 1.00 58.53 C ATOM 78 CB LYS 241 -16.046 25.641 49.807 1.00 58.53 C ATOM 79 CG LYS 241 -15.539 27.084 49.745 1.00 58.53 C ATOM 80 CD LYS 241 -16.596 28.142 50.083 1.00 58.53 C ATOM 81 CE LYS 241 -16.065 29.575 49.958 1.00 58.53 C ATOM 82 NZ LYS 241 -17.115 30.548 50.329 1.00 58.53 N ATOM 83 C LYS 241 -13.860 24.454 49.830 1.00 58.53 C ATOM 84 O LYS 241 -13.757 23.567 50.677 1.00 58.53 O ATOM 85 N SER 242 -12.836 25.293 49.548 1.00 52.12 N ATOM 86 CA SER 242 -11.560 25.143 50.202 1.00 52.12 C ATOM 87 CB SER 242 -10.375 25.095 49.219 1.00 52.12 C ATOM 88 OG SER 242 -10.489 23.973 48.355 1.00 52.12 O ATOM 89 C SER 242 -11.335 26.309 51.122 1.00 52.12 C ATOM 90 O SER 242 -11.845 27.403 50.891 1.00 52.12 O ATOM 91 N PHE 243 -10.560 26.087 52.211 1.00149.03 N ATOM 92 CA PHE 243 -10.310 27.122 53.177 1.00149.03 C ATOM 93 CB PHE 243 -11.112 26.919 54.478 1.00149.03 C ATOM 94 CG PHE 243 -12.570 27.024 54.162 1.00149.03 C ATOM 95 CD1 PHE 243 -13.287 25.910 53.781 1.00149.03 C ATOM 96 CD2 PHE 243 -13.224 28.232 54.243 1.00149.03 C ATOM 97 CE1 PHE 243 -14.628 25.997 53.486 1.00149.03 C ATOM 98 CE2 PHE 243 -14.565 28.328 53.950 1.00149.03 C ATOM 99 CZ PHE 243 -15.271 27.209 53.577 1.00149.03 C ATOM 100 C PHE 243 -8.857 27.095 53.550 1.00149.03 C ATOM 101 O PHE 243 -8.207 26.052 53.543 1.00149.03 O ATOM 102 N SER 244 -8.301 28.278 53.868 1.00 86.78 N ATOM 103 CA SER 244 -6.928 28.385 54.268 1.00 86.78 C ATOM 104 CB SER 244 -6.427 29.837 54.299 1.00 86.78 C ATOM 105 OG SER 244 -5.078 29.866 54.736 1.00 86.78 O ATOM 106 C SER 244 -6.754 27.831 55.651 1.00 86.78 C ATOM 107 O SER 244 -5.677 27.335 55.990 1.00 86.78 O ATOM 108 N CYS 245 -7.808 27.903 56.491 1.00 78.88 N ATOM 109 CA CYS 245 -7.644 27.507 57.864 1.00 78.88 C ATOM 110 CB CYS 245 -7.907 28.659 58.850 1.00 78.88 C ATOM 111 SG CYS 245 -7.697 28.157 60.579 1.00 78.88 S ATOM 112 C CYS 245 -8.599 26.404 58.219 1.00 78.88 C ATOM 113 O CYS 245 -9.749 26.376 57.780 1.00 78.88 O ATOM 114 N SER 246 -8.120 25.467 59.064 1.00 70.51 N ATOM 115 CA SER 246 -8.887 24.337 59.500 1.00 70.51 C ATOM 116 CB SER 246 -8.074 23.359 60.366 1.00 70.51 C ATOM 117 OG SER 246 -7.730 23.970 61.601 1.00 70.51 O ATOM 118 C SER 246 -10.032 24.818 60.333 1.00 70.51 C ATOM 119 O SER 246 -11.138 24.286 60.248 1.00 70.51 O ATOM 120 N SER 247 -9.795 25.861 61.149 1.00 64.43 N ATOM 121 CA SER 247 -10.796 26.352 62.048 1.00 64.43 C ATOM 122 CB SER 247 -10.292 27.556 62.862 1.00 64.43 C ATOM 123 OG SER 247 -11.310 28.024 63.732 1.00 64.43 O ATOM 124 C SER 247 -11.985 26.810 61.265 1.00 64.43 C ATOM 125 O SER 247 -13.123 26.502 61.615 1.00 64.43 O ATOM 126 N ASP 248 -11.744 27.569 60.182 1.00 36.93 N ATOM 127 CA ASP 248 -12.810 28.117 59.401 1.00 36.93 C ATOM 128 CB ASP 248 -12.295 29.131 58.371 1.00 36.93 C ATOM 129 CG ASP 248 -11.778 30.333 59.159 1.00 36.93 C ATOM 130 OD1 ASP 248 -12.015 30.372 60.398 1.00 36.93 O ATOM 131 OD2 ASP 248 -11.136 31.222 58.536 1.00 36.93 O ATOM 132 C ASP 248 -13.548 27.013 58.715 1.00 36.93 C ATOM 133 O ASP 248 -14.770 27.061 58.587 1.00 36.93 O ATOM 134 N LEU 249 -12.820 25.981 58.256 1.00102.72 N ATOM 135 CA LEU 249 -13.446 24.887 57.576 1.00102.72 C ATOM 136 CB LEU 249 -12.407 23.872 57.055 1.00102.72 C ATOM 137 CG LEU 249 -12.965 22.667 56.266 1.00102.72 C ATOM 138 CD1 LEU 249 -13.740 21.680 57.150 1.00102.72 C ATOM 139 CD2 LEU 249 -13.772 23.133 55.046 1.00102.72 C ATOM 140 C LEU 249 -14.356 24.192 58.541 1.00102.72 C ATOM 141 O LEU 249 -15.476 23.823 58.195 1.00102.72 O ATOM 142 N ASN 250 -13.901 24.021 59.795 1.00 67.05 N ATOM 143 CA ASN 250 -14.642 23.279 60.773 1.00 67.05 C ATOM 144 CB ASN 250 -13.920 23.249 62.133 1.00 67.05 C ATOM 145 CG ASN 250 -14.547 22.162 62.993 1.00 67.05 C ATOM 146 OD1 ASN 250 -15.511 21.506 62.598 1.00 67.05 O ATOM 147 ND2 ASN 250 -13.987 21.958 64.213 1.00 67.05 N ATOM 148 C ASN 250 -15.972 23.933 60.967 1.00 67.05 C ATOM 149 O ASN 250 -17.006 23.267 60.989 1.00 67.05 O ATOM 150 N ARG 251 -15.982 25.273 61.083 1.00114.08 N ATOM 151 CA ARG 251 -17.207 25.975 61.324 1.00114.08 C ATOM 152 CB ARG 251 -16.992 27.491 61.502 1.00114.08 C ATOM 153 CG ARG 251 -18.250 28.261 61.920 1.00114.08 C ATOM 154 CD ARG 251 -17.997 29.736 62.236 1.00114.08 C ATOM 155 NE ARG 251 -17.554 30.387 60.972 1.00114.08 N ATOM 156 CZ ARG 251 -17.263 31.722 60.942 1.00114.08 C ATOM 157 NH1 ARG 251 -17.348 32.477 62.079 1.00114.08 N ATOM 158 NH2 ARG 251 -16.883 32.298 59.763 1.00114.08 N ATOM 159 C ARG 251 -18.111 25.749 60.152 1.00114.08 C ATOM 160 O ARG 251 -19.308 25.516 60.318 1.00114.08 O ATOM 161 N HIS 252 -17.545 25.796 58.931 1.00 45.89 N ATOM 162 CA HIS 252 -18.303 25.621 57.725 1.00 45.89 C ATOM 163 ND1 HIS 252 -18.719 26.744 54.529 1.00 45.89 N ATOM 164 CG HIS 252 -18.169 25.660 55.178 1.00 45.89 C ATOM 165 CB HIS 252 -17.414 25.748 56.473 1.00 45.89 C ATOM 166 NE2 HIS 252 -19.193 24.955 53.294 1.00 45.89 N ATOM 167 CD2 HIS 252 -18.467 24.576 54.411 1.00 45.89 C ATOM 168 CE1 HIS 252 -19.319 26.264 53.409 1.00 45.89 C ATOM 169 C HIS 252 -18.876 24.241 57.717 1.00 45.89 C ATOM 170 O HIS 252 -20.053 24.038 57.421 1.00 45.89 O ATOM 171 N MET 253 -18.031 23.262 58.073 1.00121.81 N ATOM 172 CA MET 253 -18.336 21.864 58.045 1.00121.81 C ATOM 173 CB MET 253 -17.181 21.047 58.650 1.00121.81 C ATOM 174 CG MET 253 -17.117 19.579 58.225 1.00121.81 C ATOM 175 SD MET 253 -18.221 18.424 59.091 1.00121.81 S ATOM 176 CE MET 253 -17.863 17.037 57.984 1.00121.81 C ATOM 177 C MET 253 -19.617 21.591 58.826 1.00121.81 C ATOM 178 O MET 253 -20.090 22.511 59.540 1.00121.81 O ATOM 179 OXT MET 253 -20.166 20.467 58.704 1.00121.81 O