EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:05:02 REMARK 6 MODELLER OBJECTIVE FUNCTION: 92.3489 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 48.000 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1681.43091 REMARK 6 GA341 score: 0.99338 REMARK 6 Normalized DOPE score: -0.79789 REMARK 6 TEMPLATE: 1llmC01 101:C - 125:C MODELS 1: - 25: AT 48.0% ATOM 1 N GLU 226 -6.348 35.381 71.146 1.00 56.42 N ATOM 2 CA GLU 226 -7.095 35.605 69.889 1.00 56.42 C ATOM 3 CB GLU 226 -8.412 36.340 70.181 1.00 56.42 C ATOM 4 CG GLU 226 -8.243 37.700 70.860 1.00 56.42 C ATOM 5 CD GLU 226 -9.614 38.356 70.943 1.00 56.42 C ATOM 6 OE1 GLU 226 -10.628 37.639 70.726 1.00 56.42 O ATOM 7 OE2 GLU 226 -9.664 39.584 71.215 1.00 56.42 O ATOM 8 C GLU 226 -6.299 36.411 68.921 1.00 56.42 C ATOM 9 O GLU 226 -6.033 35.961 67.807 1.00 56.42 O ATOM 10 N LYS 227 -5.879 37.628 69.324 1.00136.03 N ATOM 11 CA LYS 227 -5.119 38.452 68.426 1.00136.03 C ATOM 12 CB LYS 227 -5.696 39.873 68.304 1.00136.03 C ATOM 13 CG LYS 227 -7.194 39.882 67.996 1.00136.03 C ATOM 14 CD LYS 227 -7.562 39.214 66.675 1.00136.03 C ATOM 15 CE LYS 227 -9.071 39.031 66.499 1.00136.03 C ATOM 16 NZ LYS 227 -9.572 38.059 67.496 1.00136.03 N ATOM 17 C LYS 227 -3.761 38.607 69.030 1.00136.03 C ATOM 18 O LYS 227 -3.501 39.562 69.762 1.00136.03 O ATOM 19 N PRO 228 -2.889 37.687 68.742 1.00162.59 N ATOM 20 CA PRO 228 -1.583 37.736 69.329 1.00162.59 C ATOM 21 CD PRO 228 -3.314 36.321 68.500 1.00162.59 C ATOM 22 CB PRO 228 -1.005 36.327 69.215 1.00162.59 C ATOM 23 CG PRO 228 -2.246 35.425 69.140 1.00162.59 C ATOM 24 C PRO 228 -0.676 38.773 68.766 1.00162.59 C ATOM 25 O PRO 228 0.300 39.104 69.439 1.00162.59 O ATOM 26 N PHE 229 -0.952 39.304 67.559 1.00 64.07 N ATOM 27 CA PHE 229 0.034 40.179 66.993 1.00 64.07 C ATOM 28 CB PHE 229 0.297 39.909 65.503 1.00 64.07 C ATOM 29 CG PHE 229 0.775 38.501 65.447 1.00 64.07 C ATOM 30 CD1 PHE 229 -0.143 37.477 65.442 1.00 64.07 C ATOM 31 CD2 PHE 229 2.118 38.205 65.411 1.00 64.07 C ATOM 32 CE1 PHE 229 0.274 36.167 65.401 1.00 64.07 C ATOM 33 CE2 PHE 229 2.533 36.897 65.371 1.00 64.07 C ATOM 34 CZ PHE 229 1.615 35.874 65.366 1.00 64.07 C ATOM 35 C PHE 229 -0.415 41.590 67.142 1.00 64.07 C ATOM 36 O PHE 229 -1.504 41.955 66.711 1.00 64.07 O ATOM 37 N THR 230 0.450 42.433 67.745 1.00 33.48 N ATOM 38 CA THR 230 0.063 43.781 68.019 1.00 33.48 C ATOM 39 CB THR 230 0.138 44.121 69.477 0.50 33.48 C ATOM 40 OG1 THR 230 -0.693 43.247 70.228 1.00 33.48 O ATOM 41 CG2 THR 230 -0.320 45.576 69.662 1.00 33.48 C ATOM 42 C THR 230 0.966 44.729 67.297 1.00 33.48 C ATOM 43 O THR 230 2.171 44.508 67.174 1.00 33.48 O ATOM 44 N CYS 231 0.362 45.824 66.796 1.00 40.15 N ATOM 45 CA CYS 231 1.077 46.854 66.108 1.00 40.15 C ATOM 46 CB CYS 231 0.180 47.622 65.117 1.00 40.15 C ATOM 47 SG CYS 231 1.048 48.940 64.217 1.00 40.15 S ATOM 48 C CYS 231 1.522 47.796 67.177 1.00 40.15 C ATOM 49 O CYS 231 0.733 48.235 68.013 1.00 40.15 O ATOM 50 N THR 232 2.827 48.113 67.183 1.00111.30 N ATOM 51 CA THR 232 3.421 48.943 68.188 1.00111.30 C ATOM 52 CB THR 232 4.908 49.016 68.036 1.00111.30 C ATOM 53 OG1 THR 232 5.245 49.644 66.807 1.00111.30 O ATOM 54 CG2 THR 232 5.463 47.579 68.059 1.00111.30 C ATOM 55 C THR 232 2.896 50.340 68.107 1.00111.30 C ATOM 56 O THR 232 2.677 50.982 69.135 1.00111.30 O ATOM 57 N GLN 233 2.732 50.877 66.883 1.00 63.69 N ATOM 58 CA GLN 233 2.319 52.249 66.799 1.00 63.69 C ATOM 59 CB GLN 233 2.277 52.748 65.343 1.00 63.69 C ATOM 60 CG GLN 233 3.624 52.735 64.619 1.00 63.69 C ATOM 61 CD GLN 233 3.362 53.012 63.141 1.00 63.69 C ATOM 62 OE1 GLN 233 4.209 53.561 62.441 1.00 63.69 O ATOM 63 NE2 GLN 233 2.158 52.617 62.648 1.00 63.69 N ATOM 64 C GLN 233 0.923 52.437 67.316 1.00 63.69 C ATOM 65 O GLN 233 0.701 53.131 68.307 1.00 63.69 O ATOM 66 N TRP 234 -0.049 51.795 66.636 1.00151.48 N ATOM 67 CA TRP 234 -1.453 51.931 66.906 1.00151.48 C ATOM 68 CB TRP 234 -2.289 51.550 65.677 1.00151.48 C ATOM 69 CG TRP 234 -1.948 52.470 64.529 1.00151.48 C ATOM 70 CD2 TRP 234 -2.626 52.528 63.267 1.00151.48 C ATOM 71 CD1 TRP 234 -0.945 53.392 64.468 1.00151.48 C ATOM 72 NE1 TRP 234 -0.949 54.015 63.245 1.00151.48 N ATOM 73 CE2 TRP 234 -1.977 53.496 62.495 1.00151.48 C ATOM 74 CE3 TRP 234 -3.692 51.835 62.786 1.00151.48 C ATOM 75 CZ2 TRP 234 -2.391 53.784 61.227 1.00151.48 C ATOM 76 CZ3 TRP 234 -4.110 52.130 61.508 1.00151.48 C ATOM 77 CH2 TRP 234 -3.472 53.086 60.742 1.00151.48 C ATOM 78 C TRP 234 -1.870 51.147 68.113 1.00151.48 C ATOM 79 O TRP 234 -2.688 51.608 68.907 1.00151.48 O ATOM 80 N GLY 235 -1.328 49.926 68.282 1.00 22.41 N ATOM 81 CA GLY 235 -1.672 49.132 69.427 1.00 22.41 C ATOM 82 C GLY 235 -2.793 48.201 69.077 1.00 22.41 C ATOM 83 O GLY 235 -3.284 47.463 69.928 1.00 22.41 O ATOM 84 N ARG 236 -3.234 48.211 67.807 1.00 88.74 N ATOM 85 CA ARG 236 -4.297 47.343 67.395 1.00 88.74 C ATOM 86 CB ARG 236 -4.845 47.751 66.017 1.00 88.74 C ATOM 87 CG ARG 236 -6.160 47.100 65.590 1.00 88.74 C ATOM 88 CD ARG 236 -6.610 47.596 64.214 1.00 88.74 C ATOM 89 NE ARG 236 -7.823 46.831 63.812 1.00 88.74 N ATOM 90 CZ ARG 236 -9.069 47.265 64.160 1.00 88.74 C ATOM 91 NH1 ARG 236 -9.229 48.426 64.860 1.00 88.74 N ATOM 92 NH2 ARG 236 -10.165 46.538 63.796 1.00 88.74 N ATOM 93 C ARG 236 -3.729 45.953 67.322 1.00 88.74 C ATOM 94 O ARG 236 -2.563 45.775 66.973 1.00 88.74 O ATOM 95 N SER 237 -4.534 44.921 67.664 1.00 40.10 N ATOM 96 CA SER 237 -4.037 43.569 67.628 1.00 40.10 C ATOM 97 CB SER 237 -4.332 42.762 68.905 1.00 40.10 C ATOM 98 OG SER 237 -3.623 43.307 70.010 1.00 40.10 O ATOM 99 C SER 237 -4.694 42.866 66.482 1.00 40.10 C ATOM 100 O SER 237 -5.804 43.216 66.079 1.00 40.10 O ATOM 101 N PHE 238 -4.006 41.858 65.906 1.00 58.32 N ATOM 102 CA PHE 238 -4.562 41.191 64.765 1.00 58.32 C ATOM 103 CB PHE 238 -3.846 41.526 63.445 1.00 58.32 C ATOM 104 CG PHE 238 -3.973 42.994 63.208 1.00 58.32 C ATOM 105 CD1 PHE 238 -3.072 43.853 63.788 1.00 58.32 C ATOM 106 CD2 PHE 238 -4.970 43.514 62.415 1.00 58.32 C ATOM 107 CE1 PHE 238 -3.158 45.209 63.587 1.00 58.32 C ATOM 108 CE2 PHE 238 -5.061 44.871 62.210 1.00 58.32 C ATOM 109 CZ PHE 238 -4.152 45.721 62.790 1.00 58.32 C ATOM 110 C PHE 238 -4.439 39.716 64.968 1.00 58.32 C ATOM 111 O PHE 238 -3.556 39.234 65.677 1.00 58.32 O ATOM 112 N SER 239 -5.366 38.971 64.340 1.00 38.54 N ATOM 113 CA SER 239 -5.434 37.544 64.419 1.00 38.54 C ATOM 114 CB SER 239 -6.733 36.991 63.812 1.00 38.54 C ATOM 115 OG SER 239 -6.788 37.289 62.425 1.00 38.54 O ATOM 116 C SER 239 -4.292 36.920 63.676 1.00 38.54 C ATOM 117 O SER 239 -3.881 35.810 64.011 1.00 38.54 O ATOM 118 N GLN 240 -3.756 37.594 62.633 1.00 78.54 N ATOM 119 CA GLN 240 -2.711 36.966 61.867 1.00 78.54 C ATOM 120 CB GLN 240 -3.128 36.634 60.424 1.00 78.54 C ATOM 121 CG GLN 240 -4.243 35.589 60.330 1.00 78.54 C ATOM 122 CD GLN 240 -3.666 34.245 60.746 1.00 78.54 C ATOM 123 OE1 GLN 240 -3.092 34.108 61.825 1.00 78.54 O ATOM 124 NE2 GLN 240 -3.809 33.226 59.857 1.00 78.54 N ATOM 125 C GLN 240 -1.518 37.865 61.779 1.00 78.54 C ATOM 126 O GLN 240 -1.640 39.080 61.627 1.00 78.54 O ATOM 127 N SER 241 -0.321 37.248 61.863 1.00 31.57 N ATOM 128 CA SER 241 0.938 37.932 61.816 1.00 31.57 C ATOM 129 CB SER 241 2.124 37.002 62.117 1.00 31.57 C ATOM 130 OG SER 241 2.200 35.986 61.127 1.00 31.57 O ATOM 131 C SER 241 1.139 38.518 60.454 1.00 31.57 C ATOM 132 O SER 241 1.699 39.605 60.323 1.00 31.57 O ATOM 133 N SER 242 0.667 37.815 59.403 1.00 71.62 N ATOM 134 CA SER 242 0.837 38.275 58.051 1.00 71.62 C ATOM 135 CB SER 242 0.177 37.350 57.011 1.00 71.62 C ATOM 136 OG SER 242 0.735 36.049 57.100 1.00 71.62 O ATOM 137 C SER 242 0.151 39.592 57.921 1.00 71.62 C ATOM 138 O SER 242 0.681 40.534 57.333 1.00 71.62 O ATOM 139 N HIS 243 -1.062 39.676 58.490 1.00 73.38 N ATOM 140 CA HIS 243 -1.847 40.866 58.403 1.00 73.38 C ATOM 141 ND1 HIS 243 -4.448 38.473 58.655 1.00 73.38 N ATOM 142 CG HIS 243 -4.092 39.716 58.181 1.00 73.38 C ATOM 143 CB HIS 243 -3.273 40.705 58.956 1.00 73.38 C ATOM 144 NE2 HIS 243 -5.295 38.636 56.606 1.00 73.38 N ATOM 145 CD2 HIS 243 -4.618 39.800 56.928 1.00 73.38 C ATOM 146 CE1 HIS 243 -5.165 37.871 57.673 1.00 73.38 C ATOM 147 C HIS 243 -1.175 41.958 59.166 1.00 73.38 C ATOM 148 O HIS 243 -1.208 43.114 58.753 1.00 73.38 O ATOM 149 N LEU 244 -0.550 41.638 60.313 1.00102.79 N ATOM 150 CA LEU 244 0.043 42.681 61.098 1.00102.79 C ATOM 151 CB LEU 244 0.659 42.155 62.413 0.50102.79 C ATOM 152 CG LEU 244 1.076 43.230 63.448 0.50102.79 C ATOM 153 CD1 LEU 244 2.140 44.198 62.914 0.50102.79 C ATOM 154 CD2 LEU 244 -0.141 43.967 64.021 0.50102.79 C ATOM 155 C LEU 244 1.143 43.315 60.293 1.00102.79 C ATOM 156 O LEU 244 1.252 44.539 60.237 1.00102.79 O ATOM 157 N ASN 245 1.975 42.494 59.620 1.00 99.02 N ATOM 158 CA ASN 245 3.114 43.030 58.929 1.00 99.02 C ATOM 159 CB ASN 245 4.070 41.960 58.361 1.00 99.02 C ATOM 160 CG ASN 245 3.382 41.066 57.344 1.00 99.02 C ATOM 161 OD1 ASN 245 3.019 41.481 56.245 1.00 99.02 O ATOM 162 ND2 ASN 245 3.241 39.770 57.714 1.00 99.02 N ATOM 163 C ASN 245 2.689 43.961 57.839 1.00 99.02 C ATOM 164 O ASN 245 3.250 45.045 57.695 1.00 99.02 O ATOM 165 N GLN 246 1.677 43.577 57.046 1.00 73.44 N ATOM 166 CA GLN 246 1.237 44.407 55.962 1.00 73.44 C ATOM 167 CB GLN 246 0.249 43.696 55.024 1.00 73.44 C ATOM 168 CG GLN 246 -0.041 44.496 53.755 1.00 73.44 C ATOM 169 CD GLN 246 -0.797 43.603 52.783 1.00 73.44 C ATOM 170 OE1 GLN 246 -1.269 42.527 53.142 1.00 73.44 O ATOM 171 NE2 GLN 246 -0.917 44.063 51.508 1.00 73.44 N ATOM 172 C GLN 246 0.594 45.637 56.519 1.00 73.44 C ATOM 173 O GLN 246 0.705 46.721 55.950 1.00 73.44 O ATOM 174 N HIS 247 -0.087 45.488 57.668 1.00 54.33 N ATOM 175 CA HIS 247 -0.803 46.553 58.309 1.00 54.33 C ATOM 176 ND1 HIS 247 -3.493 47.566 59.990 1.00 54.33 N ATOM 177 CG HIS 247 -2.210 47.183 60.317 1.00 54.33 C ATOM 178 CB HIS 247 -1.457 46.095 59.622 1.00 54.33 C ATOM 179 NE2 HIS 247 -2.854 48.853 61.689 1.00 54.33 N ATOM 180 CD2 HIS 247 -1.837 47.979 61.355 1.00 54.33 C ATOM 181 CE1 HIS 247 -3.828 48.566 60.843 1.00 54.33 C ATOM 182 C HIS 247 0.148 47.652 58.662 1.00 54.33 C ATOM 183 O HIS 247 -0.188 48.832 58.570 1.00 54.33 O ATOM 184 N MET 248 1.377 47.287 59.060 1.00 74.36 N ATOM 185 CA MET 248 2.315 48.267 59.516 1.00 74.36 C ATOM 186 CB MET 248 3.699 47.686 59.848 1.00 74.36 C ATOM 187 CG MET 248 3.761 46.773 61.069 1.00 74.36 C ATOM 188 SD MET 248 5.450 46.218 61.445 1.00 74.36 S ATOM 189 CE MET 248 4.986 44.936 62.643 1.00 74.36 C ATOM 190 C MET 248 2.565 49.269 58.437 1.00 74.36 C ATOM 191 O MET 248 2.620 50.467 58.711 1.00 74.36 O ATOM 192 N ARG 249 2.710 48.824 57.175 1.00 85.92 N ATOM 193 CA ARG 249 3.060 49.766 56.153 1.00 85.92 C ATOM 194 CB ARG 249 3.207 49.150 54.749 1.00 85.92 C ATOM 195 CG ARG 249 4.558 48.466 54.525 1.00 85.92 C ATOM 196 CD ARG 249 4.848 48.110 53.062 1.00 85.92 C ATOM 197 NE ARG 249 4.450 49.278 52.225 1.00 85.92 N ATOM 198 CZ ARG 249 3.250 49.259 51.578 1.00 85.92 C ATOM 199 NH1 ARG 249 2.449 48.157 51.667 1.00 85.92 N ATOM 200 NH2 ARG 249 2.851 50.331 50.833 1.00 85.92 N ATOM 201 C ARG 249 2.033 50.843 56.060 1.00 85.92 C ATOM 202 O ARG 249 2.382 52.022 56.024 1.00 85.92 O ATOM 203 N ILE 250 0.737 50.486 56.050 1.00 99.16 N ATOM 204 CA ILE 250 -0.232 51.528 55.896 1.00 99.16 C ATOM 205 CB ILE 250 -1.575 51.035 55.444 1.00 99.16 C ATOM 206 CG1 ILE 250 -2.413 52.197 54.886 1.00 99.16 C ATOM 207 CG2 ILE 250 -2.231 50.311 56.628 1.00 99.16 C ATOM 208 CD1 ILE 250 -1.854 52.774 53.585 1.00 99.16 C ATOM 209 C ILE 250 -0.408 52.251 57.225 1.00 99.16 C ATOM 210 O ILE 250 -1.208 53.223 57.255 1.00 99.16 O ATOM 211 OXT ILE 250 0.255 51.848 58.221 1.00 99.16 O