EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:14:56 REMARK 6 MODELLER OBJECTIVE FUNCTION: 156.5064 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 34.483 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1773.12671 REMARK 6 GA341 score: 0.88757 REMARK 6 Normalized DOPE score: -0.73360 REMARK 6 TEMPLATE: 2em6A01 11:A - 39:A MODELS 1: - 29: AT 34.5% ATOM 1 N GLU 295 9.871 -6.238 -5.586 1.00 60.94 N ATOM 2 CA GLU 295 8.546 -6.886 -5.488 1.00 60.94 C ATOM 3 CB GLU 295 8.678 -8.409 -5.649 1.00 60.94 C ATOM 4 CG GLU 295 9.225 -8.841 -7.011 1.00 60.94 C ATOM 5 CD GLU 295 10.741 -8.692 -6.979 1.00 60.94 C ATOM 6 OE1 GLU 295 11.354 -9.067 -5.943 1.00 60.94 O ATOM 7 OE2 GLU 295 11.308 -8.217 -7.998 1.00 60.94 O ATOM 8 C GLU 295 7.957 -6.600 -4.150 1.00 60.94 C ATOM 9 O GLU 295 6.747 -6.421 -4.017 1.00 60.94 O ATOM 10 N ARG 296 8.811 -6.551 -3.109 1.00122.08 N ATOM 11 CA ARG 296 8.307 -6.234 -1.810 1.00122.08 C ATOM 12 CB ARG 296 9.050 -6.985 -0.684 1.00122.08 C ATOM 13 CG ARG 296 10.563 -6.747 -0.637 1.00122.08 C ATOM 14 CD ARG 296 11.314 -7.751 0.250 1.00122.08 C ATOM 15 NE ARG 296 12.737 -7.304 0.349 1.00122.08 N ATOM 16 CZ ARG 296 13.565 -7.805 1.316 1.00122.08 C ATOM 17 NH1 ARG 296 13.109 -8.767 2.170 1.00122.08 N ATOM 18 NH2 ARG 296 14.853 -7.361 1.411 1.00122.08 N ATOM 19 C ARG 296 8.472 -4.760 -1.646 1.00122.08 C ATOM 20 O ARG 296 9.526 -4.270 -1.243 1.00122.08 O ATOM 21 N PHE 297 7.394 -4.011 -1.950 1.00 71.44 N ATOM 22 CA PHE 297 7.450 -2.578 -1.910 1.00 71.44 C ATOM 23 CB PHE 297 6.194 -1.889 -2.462 1.00 71.44 C ATOM 24 CG PHE 297 6.300 -1.957 -3.943 1.00 71.44 C ATOM 25 CD1 PHE 297 7.018 -0.989 -4.596 1.00 71.44 C ATOM 26 CD2 PHE 297 5.705 -2.965 -4.664 1.00 71.44 C ATOM 27 CE1 PHE 297 7.147 -1.011 -5.963 1.00 71.44 C ATOM 28 CE2 PHE 297 5.829 -2.991 -6.036 1.00 71.44 C ATOM 29 CZ PHE 297 6.552 -2.019 -6.683 1.00 71.44 C ATOM 30 C PHE 297 7.645 -2.115 -0.516 1.00 71.44 C ATOM 31 O PHE 297 6.891 -2.475 0.389 1.00 71.44 O ATOM 32 N ARG 298 8.661 -1.248 -0.327 1.00149.14 N ATOM 33 CA ARG 298 8.979 -0.771 0.984 1.00149.14 C ATOM 34 CB ARG 298 10.459 -0.963 1.370 1.00149.14 C ATOM 35 CG ARG 298 11.425 -0.098 0.546 1.00149.14 C ATOM 36 CD ARG 298 12.876 -0.592 0.543 1.00149.14 C ATOM 37 NE ARG 298 13.219 -0.956 1.945 1.00149.14 N ATOM 38 CZ ARG 298 14.515 -0.996 2.371 1.00149.14 C ATOM 39 NH1 ARG 298 15.521 -0.550 1.563 1.00149.14 N ATOM 40 NH2 ARG 298 14.794 -1.471 3.621 1.00149.14 N ATOM 41 C ARG 298 8.776 0.708 0.983 1.00149.14 C ATOM 42 O ARG 298 8.968 1.375 -0.034 1.00149.14 O ATOM 43 N CYS 299 8.372 1.243 2.151 1.00 53.55 N ATOM 44 CA CYS 299 8.178 2.650 2.352 1.00 53.55 C ATOM 45 CB CYS 299 7.021 2.959 3.324 1.00 53.55 C ATOM 46 SG CYS 299 6.793 4.742 3.584 1.00 53.55 S ATOM 47 C CYS 299 9.443 3.146 2.972 1.00 53.55 C ATOM 48 O CYS 299 9.844 2.709 4.048 1.00 53.55 O ATOM 49 N SER 300 10.140 4.066 2.291 1.00 87.66 N ATOM 50 CA SER 300 11.386 4.496 2.841 1.00 87.66 C ATOM 51 CB SER 300 12.206 5.386 1.898 1.00 87.66 C ATOM 52 OG SER 300 13.420 5.763 2.530 1.00 87.66 O ATOM 53 C SER 300 11.170 5.284 4.092 1.00 87.66 C ATOM 54 O SER 300 11.954 5.162 5.031 1.00 87.66 O ATOM 55 N GLU 301 10.128 6.140 4.146 1.00129.44 N ATOM 56 CA GLU 301 10.061 7.008 5.290 1.00129.44 C ATOM 57 CB GLU 301 8.979 8.100 5.191 1.00129.44 C ATOM 58 CG GLU 301 9.234 9.146 4.105 1.00129.44 C ATOM 59 CD GLU 301 8.331 8.820 2.927 1.00129.44 C ATOM 60 OE1 GLU 301 7.302 8.132 3.152 1.00129.44 O ATOM 61 OE2 GLU 301 8.652 9.265 1.793 1.00129.44 O ATOM 62 C GLU 301 9.811 6.295 6.584 1.00129.44 C ATOM 63 O GLU 301 10.667 6.299 7.470 1.00129.44 O ATOM 64 N CYS 302 8.619 5.678 6.727 1.00 64.77 N ATOM 65 CA CYS 302 8.227 5.022 7.945 1.00 64.77 C ATOM 66 CB CYS 302 6.706 4.837 8.066 1.00 64.77 C ATOM 67 SG CYS 302 6.028 3.746 6.784 1.00 64.77 S ATOM 68 C CYS 302 8.892 3.688 8.128 1.00 64.77 C ATOM 69 O CYS 302 9.298 3.349 9.240 1.00 64.77 O ATOM 70 N GLY 303 9.070 2.902 7.045 1.00 46.36 N ATOM 71 CA GLY 303 9.613 1.583 7.227 1.00 46.36 C ATOM 72 C GLY 303 8.506 0.561 7.190 1.00 46.36 C ATOM 73 O GLY 303 8.568 -0.452 7.886 1.00 46.36 O ATOM 74 N LYS 304 7.459 0.825 6.377 1.00110.50 N ATOM 75 CA LYS 304 6.311 -0.023 6.165 1.00110.50 C ATOM 76 CB LYS 304 5.074 0.821 5.823 1.00110.50 C ATOM 77 CG LYS 304 3.737 0.090 5.744 1.00110.50 C ATOM 78 CD LYS 304 2.975 -0.049 7.061 1.00110.50 C ATOM 79 CE LYS 304 1.484 -0.306 6.818 1.00110.50 C ATOM 80 NZ LYS 304 0.778 -0.541 8.094 1.00110.50 N ATOM 81 C LYS 304 6.591 -0.858 4.944 1.00110.50 C ATOM 82 O LYS 304 7.538 -0.578 4.210 1.00110.50 O ATOM 83 N GLY 305 5.786 -1.926 4.698 1.00 36.01 N ATOM 84 CA GLY 305 5.972 -2.751 3.531 1.00 36.01 C ATOM 85 C GLY 305 4.628 -3.258 3.108 1.00 36.01 C ATOM 86 O GLY 305 3.814 -3.635 3.951 1.00 36.01 O ATOM 87 N PHE 306 4.380 -3.309 1.777 1.00 64.58 N ATOM 88 CA PHE 306 3.105 -3.721 1.257 1.00 64.58 C ATOM 89 CB PHE 306 2.314 -2.556 0.629 1.00 64.58 C ATOM 90 CG PHE 306 2.060 -1.528 1.682 1.00 64.58 C ATOM 91 CD1 PHE 306 3.036 -0.611 1.992 1.00 64.58 C ATOM 92 CD2 PHE 306 0.856 -1.466 2.345 1.00 64.58 C ATOM 93 CE1 PHE 306 2.818 0.344 2.957 1.00 64.58 C ATOM 94 CE2 PHE 306 0.633 -0.514 3.315 1.00 64.58 C ATOM 95 CZ PHE 306 1.617 0.395 3.620 1.00 64.58 C ATOM 96 C PHE 306 3.352 -4.702 0.154 1.00 64.58 C ATOM 97 O PHE 306 4.442 -4.755 -0.414 1.00 64.58 O ATOM 98 N LYS 307 2.353 -5.570 -0.110 1.00109.02 N ATOM 99 CA LYS 307 2.435 -6.541 -1.161 1.00109.02 C ATOM 100 CB LYS 307 1.376 -7.646 -1.028 1.00109.02 C ATOM 101 CG LYS 307 1.467 -8.702 -2.131 1.00109.02 C ATOM 102 CD LYS 307 0.785 -10.024 -1.778 1.00109.02 C ATOM 103 CE LYS 307 1.648 -10.907 -0.871 1.00109.02 C ATOM 104 NZ LYS 307 1.010 -12.226 -0.654 1.00109.02 N ATOM 105 C LYS 307 2.276 -5.915 -2.518 1.00109.02 C ATOM 106 O LYS 307 3.055 -6.191 -3.429 1.00109.02 O ATOM 107 N HIS 308 1.271 -5.029 -2.680 1.00 73.99 N ATOM 108 CA HIS 308 0.969 -4.520 -3.990 1.00 73.99 C ATOM 109 ND1 HIS 308 -1.545 -6.752 -5.176 1.00 73.99 N ATOM 110 CG HIS 308 -1.107 -5.950 -4.146 1.00 73.99 C ATOM 111 CB HIS 308 -0.535 -4.567 -4.307 1.00 73.99 C ATOM 112 NE2 HIS 308 -1.861 -7.899 -3.296 1.00 73.99 N ATOM 113 CD2 HIS 308 -1.304 -6.667 -3.006 1.00 73.99 C ATOM 114 CE1 HIS 308 -1.988 -7.906 -4.610 1.00 73.99 C ATOM 115 C HIS 308 1.433 -3.100 -4.069 1.00 73.99 C ATOM 116 O HIS 308 1.555 -2.418 -3.054 1.00 73.99 O ATOM 117 N LYS 309 1.719 -2.631 -5.298 1.00 77.64 N ATOM 118 CA LYS 309 2.250 -1.312 -5.489 1.00 77.64 C ATOM 119 CB LYS 309 2.533 -0.964 -6.961 1.00 77.64 C ATOM 120 CG LYS 309 3.571 -1.838 -7.659 1.00 77.64 C ATOM 121 CD LYS 309 3.085 -3.245 -8.000 1.00 77.64 C ATOM 122 CE LYS 309 4.082 -3.979 -8.897 1.00 77.64 C ATOM 123 NZ LYS 309 3.547 -5.292 -9.311 1.00 77.64 N ATOM 124 C LYS 309 1.251 -0.298 -5.034 1.00 77.64 C ATOM 125 O LYS 309 1.600 0.656 -4.339 1.00 77.64 O ATOM 126 N ARG 310 -0.031 -0.501 -5.389 1.00119.12 N ATOM 127 CA ARG 310 -1.040 0.481 -5.114 1.00119.12 C ATOM 128 CB ARG 310 -2.455 0.079 -5.581 1.00119.12 C ATOM 129 CG ARG 310 -3.401 1.280 -5.739 1.00119.12 C ATOM 130 CD ARG 310 -4.898 0.949 -5.685 1.00119.12 C ATOM 131 NE ARG 310 -5.139 -0.238 -6.555 1.00119.12 N ATOM 132 CZ ARG 310 -5.851 -0.163 -7.719 1.00119.12 C ATOM 133 NH1 ARG 310 -6.375 1.022 -8.150 1.00119.12 N ATOM 134 NH2 ARG 310 -6.071 -1.303 -8.437 1.00119.12 N ATOM 135 C ARG 310 -1.135 0.695 -3.640 1.00119.12 C ATOM 136 O ARG 310 -1.238 1.832 -3.182 1.00119.12 O ATOM 137 N SER 311 -1.071 -0.393 -2.853 1.00 31.55 N ATOM 138 CA SER 311 -1.264 -0.285 -1.437 1.00 31.55 C ATOM 139 CB SER 311 -1.013 -1.615 -0.708 1.00 31.55 C ATOM 140 OG SER 311 -1.953 -2.591 -1.128 1.00 31.55 O ATOM 141 C SER 311 -0.282 0.693 -0.883 1.00 31.55 C ATOM 142 O SER 311 -0.647 1.586 -0.119 1.00 31.55 O ATOM 143 N LEU 312 0.995 0.541 -1.264 1.00 60.64 N ATOM 144 CA LEU 312 2.038 1.379 -0.755 1.00 60.64 C ATOM 145 CB LEU 312 3.429 0.877 -1.172 1.00 60.64 C ATOM 146 CG LEU 312 4.585 1.790 -0.729 1.00 60.64 C ATOM 147 CD1 LEU 312 4.558 2.044 0.784 1.00 60.64 C ATOM 148 CD2 LEU 312 5.938 1.221 -1.183 1.00 60.64 C ATOM 149 C LEU 312 1.884 2.786 -1.227 1.00 60.64 C ATOM 150 O LEU 312 2.015 3.723 -0.440 1.00 60.64 O ATOM 151 N ILE 313 1.561 2.977 -2.517 1.00 89.44 N ATOM 152 CA ILE 313 1.561 4.313 -3.021 1.00 89.44 C ATOM 153 CB ILE 313 1.285 4.425 -4.486 1.00 89.44 C ATOM 154 CG1 ILE 313 1.486 5.892 -4.898 1.00 89.44 C ATOM 155 CG2 ILE 313 -0.112 3.857 -4.783 1.00 89.44 C ATOM 156 CD1 ILE 313 1.583 6.120 -6.402 1.00 89.44 C ATOM 157 C ILE 313 0.556 5.127 -2.287 1.00 89.44 C ATOM 158 O ILE 313 0.834 6.266 -1.919 1.00 89.44 O ATOM 159 N ASN 314 -0.641 4.568 -2.045 1.00 52.26 N ATOM 160 CA ASN 314 -1.635 5.347 -1.364 1.00 52.26 C ATOM 161 CB ASN 314 -3.052 4.763 -1.420 1.00 52.26 C ATOM 162 CG ASN 314 -3.535 5.097 -2.821 1.00 52.26 C ATOM 163 OD1 ASN 314 -2.945 5.941 -3.495 1.00 52.26 O ATOM 164 ND2 ASN 314 -4.630 4.429 -3.274 1.00 52.26 N ATOM 165 C ASN 314 -1.241 5.598 0.056 1.00 52.26 C ATOM 166 O ASN 314 -1.572 6.640 0.617 1.00 52.26 O ATOM 167 N HIS 315 -0.531 4.644 0.683 1.00 77.97 N ATOM 168 CA HIS 315 -0.102 4.779 2.049 1.00 77.97 C ATOM 169 ND1 HIS 315 0.725 3.526 5.035 1.00 77.97 N ATOM 170 CG HIS 315 1.368 3.668 3.828 1.00 77.97 C ATOM 171 CB HIS 315 0.713 3.550 2.484 1.00 77.97 C ATOM 172 NE2 HIS 315 2.869 3.889 5.499 1.00 77.97 N ATOM 173 CD2 HIS 315 2.678 3.890 4.130 1.00 77.97 C ATOM 174 CE1 HIS 315 1.666 3.669 6.001 1.00 77.97 C ATOM 175 C HIS 315 0.792 5.969 2.173 1.00 77.97 C ATOM 176 O HIS 315 0.644 6.794 3.073 1.00 77.97 O ATOM 177 N MET 316 1.710 6.113 1.215 1.00104.32 N ATOM 178 CA MET 316 2.712 7.129 1.265 1.00104.32 C ATOM 179 CB MET 316 3.622 7.061 0.027 1.00104.32 C ATOM 180 CG MET 316 4.344 5.714 -0.092 1.00104.32 C ATOM 181 SD MET 316 5.182 5.412 -1.678 1.00104.32 S ATOM 182 CE MET 316 6.533 6.580 -1.360 1.00104.32 C ATOM 183 C MET 316 2.046 8.467 1.289 1.00104.32 C ATOM 184 O MET 316 2.521 9.394 1.943 1.00104.32 O ATOM 185 N LYS 317 0.898 8.590 0.608 1.00166.32 N ATOM 186 CA LYS 317 0.259 9.856 0.422 1.00166.32 C ATOM 187 CB LYS 317 -1.097 9.700 -0.282 1.00166.32 C ATOM 188 CG LYS 317 -1.697 11.015 -0.764 1.00166.32 C ATOM 189 CD LYS 317 -2.117 11.968 0.353 1.00166.32 C ATOM 190 CE LYS 317 -3.440 11.559 0.994 1.00166.32 C ATOM 191 NZ LYS 317 -3.954 12.667 1.824 1.00166.32 N ATOM 192 C LYS 317 0.010 10.491 1.745 1.00166.32 C ATOM 193 O LYS 317 0.170 11.700 1.907 1.00166.32 O ATOM 194 N LEU 318 -0.374 9.680 2.734 1.00109.45 N ATOM 195 CA LEU 318 -0.718 10.236 3.998 1.00109.45 C ATOM 196 CB LEU 318 -1.256 9.151 4.947 1.00109.45 C ATOM 197 CG LEU 318 -1.801 9.646 6.297 1.00109.45 C ATOM 198 CD1 LEU 318 -2.501 8.494 7.028 1.00109.45 C ATOM 199 CD2 LEU 318 -0.714 10.288 7.177 1.00109.45 C ATOM 200 C LEU 318 0.489 10.908 4.566 1.00109.45 C ATOM 201 O LEU 318 0.384 11.958 5.196 1.00109.45 O ATOM 202 N HIS 319 1.675 10.314 4.359 1.00 77.76 N ATOM 203 CA HIS 319 2.865 10.852 4.937 1.00 77.76 C ATOM 204 ND1 HIS 319 4.582 8.453 6.543 1.00 77.76 N ATOM 205 CG HIS 319 4.039 8.672 5.302 1.00 77.76 C ATOM 206 CB HIS 319 4.092 9.994 4.614 1.00 77.76 C ATOM 207 NE2 HIS 319 3.671 6.532 5.897 1.00 77.76 N ATOM 208 CD2 HIS 319 3.485 7.491 4.917 1.00 77.76 C ATOM 209 CE1 HIS 319 4.334 7.155 6.852 1.00 77.76 C ATOM 210 C HIS 319 3.161 12.215 4.425 1.00 77.76 C ATOM 211 O HIS 319 3.248 13.161 5.209 1.00 77.76 O ATOM 212 N ASN 320 3.283 12.383 3.092 1.00131.39 N ATOM 213 CA ASN 320 3.759 13.672 2.691 1.00131.39 C ATOM 214 CB ASN 320 5.301 13.686 2.634 1.00131.39 C ATOM 215 CG ASN 320 5.850 15.101 2.729 1.00131.39 C ATOM 216 OD1 ASN 320 5.110 16.061 2.928 1.00131.39 O ATOM 217 ND2 ASN 320 7.201 15.220 2.605 1.00131.39 N ATOM 218 C ASN 320 3.275 13.991 1.317 1.00131.39 C ATOM 219 O ASN 320 3.267 13.128 0.440 1.00131.39 O ATOM 220 N GLY 321 2.839 15.248 1.103 1.00 33.61 N ATOM 221 CA GLY 321 2.442 15.660 -0.210 1.00 33.61 C ATOM 222 C GLY 321 3.650 15.684 -1.100 1.00 33.61 C ATOM 223 O GLY 321 3.618 15.179 -2.222 1.00 33.61 O ATOM 224 N GLU 322 4.754 16.295 -0.627 1.00124.16 N ATOM 225 CA GLU 322 5.947 16.367 -1.424 1.00124.16 C ATOM 226 CB GLU 322 7.021 17.279 -0.828 1.00124.16 C ATOM 227 CG GLU 322 6.723 18.752 -1.065 1.00124.16 C ATOM 228 CD GLU 322 7.156 19.049 -2.491 1.00124.16 C ATOM 229 OE1 GLU 322 7.319 18.081 -3.283 1.00124.16 O ATOM 230 OE2 GLU 322 7.340 20.253 -2.801 1.00124.16 O ATOM 231 C GLU 322 6.543 15.012 -1.529 1.00124.16 C ATOM 232 O GLU 322 7.011 14.613 -2.594 1.00124.16 O ATOM 233 N GLN 323 6.522 14.285 -0.395 1.00 94.26 N ATOM 234 CA GLN 323 7.068 12.969 -0.243 1.00 94.26 C ATOM 235 CB GLN 323 6.280 11.871 -0.983 1.00 94.26 C ATOM 236 CG GLN 323 6.289 11.981 -2.506 1.00 94.26 C ATOM 237 CD GLN 323 5.288 10.966 -3.023 1.00 94.26 C ATOM 238 OE1 GLN 323 4.369 10.573 -2.306 1.00 94.26 O ATOM 239 NE2 GLN 323 5.468 10.527 -4.296 1.00 94.26 N ATOM 240 C GLN 323 8.518 12.933 -0.676 1.00 94.26 C ATOM 241 O GLN 323 9.084 11.809 -0.718 1.00 94.26 O ATOM 242 OXT GLN 323 9.090 14.026 -0.946 1.00 94.26 O