EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:03:29 REMARK 6 MODELLER OBJECTIVE FUNCTION: 105.4991 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 53.846 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1687.95325 REMARK 6 GA341 score: 0.93843 REMARK 6 Normalized DOPE score: -1.06055 REMARK 6 TEMPLATE: 2i13A02 75:A - 100:A MODELS 1: - 26: AT 53.8% ATOM 1 N GLU 191 3.497 20.037 55.193 1.00 28.42 N ATOM 2 CA GLU 191 2.292 19.176 55.187 1.00 28.42 C ATOM 3 CB GLU 191 2.708 17.701 55.052 1.00 28.42 C ATOM 4 CG GLU 191 1.545 16.710 55.037 1.00 28.42 C ATOM 5 CD GLU 191 2.118 15.304 54.894 1.00 28.42 C ATOM 6 OE1 GLU 191 3.096 14.982 55.624 1.00 28.42 O ATOM 7 OE2 GLU 191 1.591 14.533 54.052 1.00 28.42 O ATOM 8 C GLU 191 1.505 19.340 56.449 1.00 28.42 C ATOM 9 O GLU 191 2.051 19.295 57.550 1.00 28.42 O ATOM 10 N LYS 192 0.186 19.569 56.316 1.00104.21 N ATOM 11 CA LYS 192 -0.629 19.718 57.486 1.00104.21 C ATOM 12 CB LYS 192 -1.248 21.120 57.579 1.00104.21 C ATOM 13 CG LYS 192 -0.168 22.196 57.721 1.00104.21 C ATOM 14 CD LYS 192 -0.627 23.624 57.413 1.00104.21 C ATOM 15 CE LYS 192 -0.739 23.935 55.917 1.00104.21 C ATOM 16 NZ LYS 192 0.552 23.679 55.238 1.00104.21 N ATOM 17 C LYS 192 -1.719 18.696 57.400 1.00104.21 C ATOM 18 O LYS 192 -2.750 18.880 56.751 1.00104.21 O ATOM 19 N PRO 193 -1.455 17.602 58.052 1.00103.80 N ATOM 20 CA PRO 193 -2.346 16.470 58.054 1.00103.80 C ATOM 21 CD PRO 193 -0.066 17.195 58.195 1.00103.80 C ATOM 22 CB PRO 193 -1.506 15.283 58.519 1.00103.80 C ATOM 23 CG PRO 193 -0.071 15.663 58.131 1.00103.80 C ATOM 24 C PRO 193 -3.624 16.588 58.831 1.00103.80 C ATOM 25 O PRO 193 -4.531 15.799 58.569 1.00103.80 O ATOM 26 N PHE 194 -3.732 17.524 59.791 1.00 62.62 N ATOM 27 CA PHE 194 -4.897 17.504 60.633 1.00 62.62 C ATOM 28 CB PHE 194 -4.542 17.758 62.105 1.00 62.62 C ATOM 29 CG PHE 194 -3.528 16.725 62.455 1.00 62.62 C ATOM 30 CD1 PHE 194 -3.913 15.449 62.797 1.00 62.62 C ATOM 31 CD2 PHE 194 -2.189 17.039 62.430 1.00 62.62 C ATOM 32 CE1 PHE 194 -2.973 14.498 63.115 1.00 62.62 C ATOM 33 CE2 PHE 194 -1.246 16.092 62.749 1.00 62.62 C ATOM 34 CZ PHE 194 -1.638 14.820 63.092 1.00 62.62 C ATOM 35 C PHE 194 -5.850 18.566 60.194 1.00 62.62 C ATOM 36 O PHE 194 -5.513 19.749 60.167 1.00 62.62 O ATOM 37 N THR 195 -7.092 18.159 59.870 1.00 98.74 N ATOM 38 CA THR 195 -8.048 19.105 59.376 1.00 98.74 C ATOM 39 CB THR 195 -8.629 18.713 58.049 1.00 98.74 C ATOM 40 OG1 THR 195 -9.471 19.745 57.554 1.00 98.74 O ATOM 41 CG2 THR 195 -9.419 17.405 58.212 1.00 98.74 C ATOM 42 C THR 195 -9.185 19.237 60.342 1.00 98.74 C ATOM 43 O THR 195 -9.630 18.267 60.953 1.00 98.74 O ATOM 44 N CYS 196 -9.672 20.483 60.502 1.00 41.12 N ATOM 45 CA CYS 196 -10.781 20.772 61.365 1.00 41.12 C ATOM 46 CB CYS 196 -10.767 22.226 61.880 1.00 41.12 C ATOM 47 SG CYS 196 -12.208 22.639 62.909 1.00 41.12 S ATOM 48 C CYS 196 -12.045 20.553 60.594 1.00 41.12 C ATOM 49 O CYS 196 -12.229 21.086 59.502 1.00 41.12 O ATOM 50 N THR 197 -12.970 19.761 61.161 1.00109.20 N ATOM 51 CA THR 197 -14.193 19.471 60.475 1.00109.20 C ATOM 52 CB THR 197 -15.039 18.445 61.172 1.00109.20 C ATOM 53 OG1 THR 197 -15.418 18.908 62.460 1.00109.20 O ATOM 54 CG2 THR 197 -14.229 17.146 61.302 1.00109.20 C ATOM 55 C THR 197 -15.001 20.721 60.340 1.00109.20 C ATOM 56 O THR 197 -15.711 20.895 59.352 1.00109.20 O ATOM 57 N GLU 198 -14.948 21.611 61.350 1.00125.98 N ATOM 58 CA GLU 198 -15.805 22.761 61.325 1.00125.98 C ATOM 59 CB GLU 198 -15.578 23.635 62.577 1.00125.98 C ATOM 60 CG GLU 198 -15.684 22.885 63.913 1.00125.98 C ATOM 61 CD GLU 198 -17.086 23.033 64.487 1.00125.98 C ATOM 62 OE1 GLU 198 -17.994 23.489 63.742 1.00125.98 O ATOM 63 OE2 GLU 198 -17.269 22.685 65.684 1.00125.98 O ATOM 64 C GLU 198 -15.494 23.650 60.147 1.00125.98 C ATOM 65 O GLU 198 -16.302 23.785 59.229 1.00125.98 O ATOM 66 N CYS 199 -14.308 24.303 60.184 1.00 71.29 N ATOM 67 CA CYS 199 -13.829 25.242 59.197 1.00 71.29 C ATOM 68 CB CYS 199 -12.826 26.245 59.790 1.00 71.29 C ATOM 69 SG CYS 199 -11.383 25.419 60.517 1.00 71.29 S ATOM 70 C CYS 199 -13.208 24.601 57.988 1.00 71.29 C ATOM 71 O CYS 199 -13.361 25.091 56.870 1.00 71.29 O ATOM 72 N GLY 200 -12.473 23.487 58.177 1.00 29.86 N ATOM 73 CA GLY 200 -11.792 22.863 57.075 1.00 29.86 C ATOM 74 C GLY 200 -10.353 23.291 57.066 1.00 29.86 C ATOM 75 O GLY 200 -9.596 22.900 56.177 1.00 29.86 O ATOM 76 N LYS 201 -9.926 24.109 58.053 1.00 95.96 N ATOM 77 CA LYS 201 -8.552 24.531 58.089 1.00 95.96 C ATOM 78 CB LYS 201 -8.243 25.651 59.102 1.00 95.96 C ATOM 79 CG LYS 201 -6.775 26.089 59.053 1.00 95.96 C ATOM 80 CD LYS 201 -6.466 27.359 59.850 1.00 95.96 C ATOM 81 CE LYS 201 -7.229 28.592 59.372 1.00 95.96 C ATOM 82 NZ LYS 201 -6.727 29.799 60.071 1.00 95.96 N ATOM 83 C LYS 201 -7.685 23.357 58.441 1.00 95.96 C ATOM 84 O LYS 201 -8.110 22.435 59.140 1.00 95.96 O ATOM 85 N SER 202 -6.426 23.375 57.948 1.00 51.48 N ATOM 86 CA SER 202 -5.518 22.286 58.203 1.00 51.48 C ATOM 87 CB SER 202 -4.890 21.695 56.932 1.00 51.48 C ATOM 88 OG SER 202 -5.898 21.119 56.116 1.00 51.48 O ATOM 89 C SER 202 -4.388 22.776 59.051 1.00 51.48 C ATOM 90 O SER 202 -4.002 23.941 58.982 1.00 51.48 O ATOM 91 N PHE 203 -3.816 21.870 59.876 1.00137.65 N ATOM 92 CA PHE 203 -2.779 22.250 60.797 1.00137.65 C ATOM 93 CB PHE 203 -3.273 22.229 62.253 1.00137.65 C ATOM 94 CG PHE 203 -4.313 23.284 62.428 1.00137.65 C ATOM 95 CD1 PHE 203 -5.623 23.034 62.096 1.00137.65 C ATOM 96 CD2 PHE 203 -3.971 24.522 62.919 1.00137.65 C ATOM 97 CE1 PHE 203 -6.583 24.006 62.254 1.00137.65 C ATOM 98 CE2 PHE 203 -4.925 25.498 63.081 1.00137.65 C ATOM 99 CZ PHE 203 -6.231 25.239 62.748 1.00137.65 C ATOM 100 C PHE 203 -1.636 21.277 60.742 1.00137.65 C ATOM 101 O PHE 203 -1.800 20.104 60.411 1.00137.65 O ATOM 102 N ARG 204 -0.432 21.780 61.087 1.00157.54 N ATOM 103 CA ARG 204 0.777 21.012 61.149 1.00157.54 C ATOM 104 CB ARG 204 2.007 21.864 61.497 1.00157.54 C ATOM 105 CG ARG 204 3.176 21.001 61.970 1.00157.54 C ATOM 106 CD ARG 204 4.404 21.784 62.439 1.00157.54 C ATOM 107 NE ARG 204 5.251 22.107 61.255 1.00157.54 N ATOM 108 CZ ARG 204 5.059 23.250 60.532 1.00157.54 C ATOM 109 NH1 ARG 204 4.055 24.114 60.860 1.00157.54 N ATOM 110 NH2 ARG 204 5.879 23.521 59.474 1.00157.54 N ATOM 111 C ARG 204 0.683 19.994 62.243 1.00157.54 C ATOM 112 O ARG 204 1.128 18.859 62.072 1.00157.54 O ATOM 113 N CYS 205 0.115 20.367 63.408 1.00 35.80 N ATOM 114 CA CYS 205 0.125 19.421 64.488 1.00 35.80 C ATOM 115 CB CYS 205 1.089 19.802 65.625 1.00 35.80 C ATOM 116 SG CYS 205 2.829 19.765 65.096 1.00 35.80 S ATOM 117 C CYS 205 -1.237 19.273 65.088 1.00 35.80 C ATOM 118 O CYS 205 -2.077 20.171 65.037 1.00 35.80 O ATOM 119 N LYS 206 -1.467 18.095 65.696 1.00175.39 N ATOM 120 CA LYS 206 -2.724 17.780 66.304 1.00175.39 C ATOM 121 CB LYS 206 -2.828 16.324 66.794 1.00175.39 C ATOM 122 CG LYS 206 -1.564 15.802 67.474 1.00175.39 C ATOM 123 CD LYS 206 -0.402 15.573 66.508 1.00175.39 C ATOM 124 CE LYS 206 -0.242 14.097 66.136 1.00175.39 C ATOM 125 NZ LYS 206 -1.578 13.465 66.053 1.00175.39 N ATOM 126 C LYS 206 -2.986 18.698 67.458 1.00175.39 C ATOM 127 O LYS 206 -4.129 19.098 67.675 1.00175.39 O ATOM 128 N SER 207 -1.941 19.064 68.228 1.00 64.90 N ATOM 129 CA SER 207 -2.128 19.886 69.392 1.00 64.90 C ATOM 130 CB SER 207 -0.800 20.214 70.107 1.00 64.90 C ATOM 131 OG SER 207 -1.045 21.028 71.244 1.00 64.90 O ATOM 132 C SER 207 -2.739 21.188 68.972 1.00 64.90 C ATOM 133 O SER 207 -3.672 21.670 69.613 1.00 64.90 O ATOM 134 N THR 208 -2.232 21.781 67.871 1.00101.64 N ATOM 135 CA THR 208 -2.721 23.049 67.401 1.00101.64 C ATOM 136 CB THR 208 -1.917 23.617 66.272 1.00101.64 C ATOM 137 OG1 THR 208 -1.930 22.740 65.155 1.00101.64 O ATOM 138 CG2 THR 208 -0.479 23.848 66.769 1.00101.64 C ATOM 139 C THR 208 -4.135 22.902 66.936 1.00101.64 C ATOM 140 O THR 208 -4.954 23.799 67.118 1.00101.64 O ATOM 141 N PHE 209 -4.463 21.762 66.312 1.00103.23 N ATOM 142 CA PHE 209 -5.797 21.528 65.842 1.00103.23 C ATOM 143 CB PHE 209 -5.900 20.124 65.221 1.00103.23 C ATOM 144 CG PHE 209 -7.314 19.730 64.968 1.00103.23 C ATOM 145 CD1 PHE 209 -8.084 19.202 65.982 1.00103.23 C ATOM 146 CD2 PHE 209 -7.854 19.848 63.710 1.00103.23 C ATOM 147 CE1 PHE 209 -9.384 18.823 65.750 1.00103.23 C ATOM 148 CE2 PHE 209 -9.154 19.471 63.473 1.00103.23 C ATOM 149 CZ PHE 209 -9.921 18.960 64.493 1.00103.23 C ATOM 150 C PHE 209 -6.730 21.599 67.013 1.00103.23 C ATOM 151 O PHE 209 -7.757 22.278 66.964 1.00103.23 O ATOM 152 N ASN 210 -6.374 20.913 68.116 1.00 35.58 N ATOM 153 CA ASN 210 -7.235 20.854 69.267 1.00 35.58 C ATOM 154 CB ASN 210 -6.677 19.999 70.417 1.00 35.58 C ATOM 155 CG ASN 210 -6.802 18.526 70.045 1.00 35.58 C ATOM 156 OD1 ASN 210 -7.563 18.163 69.150 1.00 35.58 O ATOM 157 ND2 ASN 210 -6.056 17.649 70.768 1.00 35.58 N ATOM 158 C ASN 210 -7.449 22.228 69.817 1.00 35.58 C ATOM 159 O ASN 210 -8.565 22.575 70.203 1.00 35.58 O ATOM 160 N ILE 211 -6.392 23.060 69.863 1.00 80.15 N ATOM 161 CA ILE 211 -6.556 24.369 70.435 1.00 80.15 C ATOM 162 CB ILE 211 -5.262 25.152 70.543 1.00 80.15 C ATOM 163 CG1 ILE 211 -5.382 26.328 71.529 1.00 80.15 C ATOM 164 CG2 ILE 211 -4.835 25.625 69.148 1.00 80.15 C ATOM 165 CD1 ILE 211 -4.031 26.986 71.827 1.00 80.15 C ATOM 166 C ILE 211 -7.537 25.112 69.578 1.00 80.15 C ATOM 167 O ILE 211 -8.419 25.803 70.084 1.00 80.15 O ATOM 168 N HIS 212 -7.417 24.944 68.246 1.00 52.81 N ATOM 169 CA HIS 212 -8.243 25.600 67.276 1.00 52.81 C ATOM 170 ND1 HIS 212 -8.627 27.186 64.426 1.00 52.81 N ATOM 171 CG HIS 212 -8.684 25.856 64.778 1.00 52.81 C ATOM 172 CB HIS 212 -7.832 25.229 65.841 1.00 52.81 C ATOM 173 NE2 HIS 212 -10.150 26.241 63.108 1.00 52.81 N ATOM 174 CD2 HIS 212 -9.619 25.294 63.965 1.00 52.81 C ATOM 175 CE1 HIS 212 -9.524 27.362 63.422 1.00 52.81 C ATOM 176 C HIS 212 -9.669 25.192 67.457 1.00 52.81 C ATOM 177 O HIS 212 -10.564 26.034 67.409 1.00 52.81 O ATOM 178 N LYS 213 -9.922 23.892 67.688 1.00130.37 N ATOM 179 CA LYS 213 -11.279 23.435 67.779 1.00130.37 C ATOM 180 CB LYS 213 -11.399 21.919 68.021 1.00130.37 C ATOM 181 CG LYS 213 -12.835 21.392 67.902 1.00130.37 C ATOM 182 CD LYS 213 -13.382 21.404 66.471 1.00130.37 C ATOM 183 CE LYS 213 -14.875 21.082 66.371 1.00130.37 C ATOM 184 NZ LYS 213 -15.123 19.692 66.807 1.00130.37 N ATOM 185 C LYS 213 -11.963 24.130 68.916 1.00130.37 C ATOM 186 O LYS 213 -13.157 24.419 68.844 1.00130.37 O ATOM 187 N ARG 214 -11.216 24.436 69.990 1.00 85.70 N ATOM 188 CA ARG 214 -11.810 25.020 71.158 1.00 85.70 C ATOM 189 CB ARG 214 -10.771 25.324 72.251 1.00 85.70 C ATOM 190 CG ARG 214 -10.144 24.050 72.810 1.00 85.70 C ATOM 191 CD ARG 214 -8.963 24.279 73.756 1.00 85.70 C ATOM 192 NE ARG 214 -8.493 22.934 74.187 1.00 85.70 N ATOM 193 CZ ARG 214 -7.678 22.776 75.270 1.00 85.70 C ATOM 194 NH1 ARG 214 -7.273 23.854 76.003 1.00 85.70 N ATOM 195 NH2 ARG 214 -7.266 21.525 75.625 1.00 85.70 N ATOM 196 C ARG 214 -12.480 26.299 70.778 1.00 85.70 C ATOM 197 O ARG 214 -13.582 26.587 71.242 1.00 85.70 O ATOM 198 N THR 215 -11.852 27.091 69.890 1.00 25.09 N ATOM 199 CA THR 215 -12.437 28.356 69.562 1.00 25.09 C ATOM 200 CB THR 215 -11.635 29.144 68.564 1.00 25.09 C ATOM 201 OG1 THR 215 -11.518 28.433 67.342 1.00 25.09 O ATOM 202 CG2 THR 215 -10.242 29.410 69.159 1.00 25.09 C ATOM 203 C THR 215 -13.795 28.122 68.981 1.00 25.09 C ATOM 204 O THR 215 -14.769 28.746 69.398 1.00 25.09 O ATOM 205 N HIS 216 -13.903 27.185 68.020 1.00 29.51 N ATOM 206 CA HIS 216 -15.174 26.919 67.417 1.00 29.51 C ATOM 207 ND1 HIS 216 -14.838 27.336 64.115 1.00 29.51 N ATOM 208 CG HIS 216 -14.329 26.450 65.038 1.00 29.51 C ATOM 209 CB HIS 216 -15.092 25.940 66.228 1.00 29.51 C ATOM 210 NE2 HIS 216 -12.765 26.862 63.461 1.00 29.51 N ATOM 211 CD2 HIS 216 -13.062 26.169 64.622 1.00 29.51 C ATOM 212 CE1 HIS 216 -13.862 27.549 63.194 1.00 29.51 C ATOM 213 C HIS 216 -16.051 26.254 68.474 1.00 29.51 C ATOM 214 O HIS 216 -16.993 26.922 68.981 1.00 29.51 O ATOM 215 OXT HIS 216 -15.791 25.060 68.781 1.00 29.51 O