EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:06:48 REMARK 6 MODELLER OBJECTIVE FUNCTION: 75.4308 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 47.619 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1191.12805 REMARK 6 GA341 score: 0.74615 REMARK 6 Normalized DOPE score: -1.53989 REMARK 6 TEMPLATE: 2i13A02 75:A - 95:A MODELS 1: - 21: AT 47.6% ATOM 1 N GLU 191 -18.168 25.297 52.389 1.00 54.90 N ATOM 2 CA GLU 191 -18.769 26.104 53.469 1.00 54.90 C ATOM 3 CB GLU 191 -19.877 25.306 54.175 1.00 54.90 C ATOM 4 CG GLU 191 -19.417 23.983 54.794 1.00 54.90 C ATOM 5 CD GLU 191 -20.670 23.308 55.329 1.00 54.90 C ATOM 6 OE1 GLU 191 -21.777 23.749 54.923 1.00 54.90 O ATOM 7 OE2 GLU 191 -20.549 22.353 56.146 1.00 54.90 O ATOM 8 C GLU 191 -17.730 26.511 54.455 1.00 54.90 C ATOM 9 O GLU 191 -16.545 26.239 54.271 1.00 54.90 O ATOM 10 N LYS 192 -18.153 27.208 55.523 1.00 99.76 N ATOM 11 CA LYS 192 -17.213 27.659 56.502 1.00 99.76 C ATOM 12 CB LYS 192 -17.191 29.191 56.582 1.00 99.76 C ATOM 13 CG LYS 192 -16.705 29.804 55.267 1.00 99.76 C ATOM 14 CD LYS 192 -17.104 31.267 55.074 1.00 99.76 C ATOM 15 CE LYS 192 -18.569 31.437 54.660 1.00 99.76 C ATOM 16 NZ LYS 192 -18.811 30.769 53.361 1.00 99.76 N ATOM 17 C LYS 192 -17.657 27.106 57.816 1.00 99.76 C ATOM 18 O LYS 192 -18.681 27.496 58.375 1.00 99.76 O ATOM 19 N PRO 193 -16.878 26.179 58.288 1.00108.94 N ATOM 20 CA PRO 193 -17.179 25.484 59.511 1.00108.94 C ATOM 21 CD PRO 193 -16.074 25.374 57.380 1.00108.94 C ATOM 22 CB PRO 193 -16.274 24.256 59.524 1.00108.94 C ATOM 23 CG PRO 193 -15.994 23.988 58.033 1.00108.94 C ATOM 24 C PRO 193 -17.082 26.282 60.770 1.00108.94 C ATOM 25 O PRO 193 -17.757 25.923 61.733 1.00108.94 O ATOM 26 N TYR 194 -16.284 27.362 60.817 1.00 63.87 N ATOM 27 CA TYR 194 -16.143 27.986 62.100 1.00 63.87 C ATOM 28 CB TYR 194 -14.678 28.208 62.521 1.00 63.87 C ATOM 29 CG TYR 194 -14.051 26.860 62.617 1.00 63.87 C ATOM 30 CD1 TYR 194 -14.291 26.056 63.707 1.00 63.87 C ATOM 31 CD2 TYR 194 -13.217 26.409 61.620 1.00 63.87 C ATOM 32 CE1 TYR 194 -13.717 24.812 63.796 1.00 63.87 C ATOM 33 CE2 TYR 194 -12.637 25.166 61.701 1.00 63.87 C ATOM 34 CZ TYR 194 -12.890 24.366 62.792 1.00 63.87 C ATOM 35 OH TYR 194 -12.302 23.089 62.882 1.00 63.87 O ATOM 36 C TYR 194 -16.830 29.312 62.084 1.00 63.87 C ATOM 37 O TYR 194 -16.655 30.108 61.166 1.00 63.87 O ATOM 38 N THR 195 -17.641 29.561 63.134 1.00106.65 N ATOM 39 CA THR 195 -18.421 30.758 63.255 1.00106.65 C ATOM 40 CB THR 195 -19.868 30.449 63.539 1.00106.65 C ATOM 41 OG1 THR 195 -20.634 31.641 63.623 1.00106.65 O ATOM 42 CG2 THR 195 -19.954 29.664 64.857 1.00106.65 C ATOM 43 C THR 195 -17.896 31.564 64.407 1.00106.65 C ATOM 44 O THR 195 -17.639 31.031 65.486 1.00106.65 O ATOM 45 N CYS 196 -17.695 32.881 64.179 1.00 46.22 N ATOM 46 CA CYS 196 -17.253 33.798 65.195 1.00 46.22 C ATOM 47 CB CYS 196 -16.776 35.137 64.606 1.00 46.22 C ATOM 48 SG CYS 196 -16.272 36.338 65.872 1.00 46.22 S ATOM 49 C CYS 196 -18.429 34.094 66.070 1.00 46.22 C ATOM 50 O CYS 196 -19.492 34.477 65.586 1.00 46.22 O ATOM 51 N GLU 197 -18.267 33.935 67.394 1.00 54.97 N ATOM 52 CA GLU 197 -19.380 34.114 68.278 1.00 54.97 C ATOM 53 CB GLU 197 -19.038 33.666 69.706 1.00 54.97 C ATOM 54 CG GLU 197 -18.702 32.169 69.756 1.00 54.97 C ATOM 55 CD GLU 197 -18.085 31.858 71.109 1.00 54.97 C ATOM 56 OE1 GLU 197 -18.246 32.713 72.019 1.00 54.97 O ATOM 57 OE2 GLU 197 -17.446 30.780 71.256 1.00 54.97 O ATOM 58 C GLU 197 -19.833 35.546 68.291 1.00 54.97 C ATOM 59 O GLU 197 -21.032 35.815 68.215 1.00 54.97 O ATOM 60 N GLN 198 -18.902 36.515 68.424 1.00135.87 N ATOM 61 CA GLN 198 -19.374 37.871 68.479 1.00135.87 C ATOM 62 CB GLN 198 -18.326 38.890 68.971 1.00135.87 C ATOM 63 CG GLN 198 -17.994 38.804 70.463 1.00135.87 C ATOM 64 CD GLN 198 -16.744 37.955 70.640 1.00135.87 C ATOM 65 OE1 GLN 198 -15.838 37.991 69.809 1.00135.87 O ATOM 66 NE2 GLN 198 -16.687 37.169 71.750 1.00135.87 N ATOM 67 C GLN 198 -19.849 38.380 67.150 1.00135.87 C ATOM 68 O GLN 198 -20.993 38.817 67.022 1.00135.87 O ATOM 69 N CYS 199 -18.965 38.339 66.129 1.00 89.98 N ATOM 70 CA CYS 199 -19.258 38.912 64.842 1.00 89.98 C ATOM 71 CB CYS 199 -18.000 39.136 63.986 1.00 89.98 C ATOM 72 SG CYS 199 -18.382 39.819 62.348 1.00 89.98 S ATOM 73 C CYS 199 -20.232 38.093 64.050 1.00 89.98 C ATOM 74 O CYS 199 -21.127 38.643 63.413 1.00 89.98 O ATOM 75 N GLY 200 -20.092 36.753 64.063 1.00 26.02 N ATOM 76 CA GLY 200 -20.973 35.943 63.270 1.00 26.02 C ATOM 77 C GLY 200 -20.314 35.672 61.949 1.00 26.02 C ATOM 78 O GLY 200 -20.906 35.045 61.071 1.00 26.02 O ATOM 79 N ARG 201 -19.066 36.150 61.772 1.00150.34 N ATOM 80 CA ARG 201 -18.350 35.916 60.550 1.00150.34 C ATOM 81 CB ARG 201 -17.119 36.831 60.393 1.00150.34 C ATOM 82 CG ARG 201 -16.098 36.687 61.522 1.00150.34 C ATOM 83 CD ARG 201 -14.953 37.699 61.434 1.00150.34 C ATOM 84 NE ARG 201 -15.555 39.065 61.380 1.00150.34 N ATOM 85 CZ ARG 201 -14.762 40.168 61.538 1.00150.34 C ATOM 86 NH1 ARG 201 -13.434 40.009 61.820 1.00150.34 N ATOM 87 NH2 ARG 201 -15.284 41.423 61.403 1.00150.34 N ATOM 88 C ARG 201 -17.888 34.491 60.570 1.00150.34 C ATOM 89 O ARG 201 -17.418 33.999 61.597 1.00150.34 O ATOM 90 N SER 202 -18.001 33.791 59.419 1.00 49.19 N ATOM 91 CA SER 202 -17.635 32.401 59.392 1.00 49.19 C ATOM 92 CB SER 202 -18.721 31.475 58.823 1.00 49.19 C ATOM 93 OG SER 202 -19.825 31.433 59.714 1.00 49.19 O ATOM 94 C SER 202 -16.415 32.234 58.553 1.00 49.19 C ATOM 95 O SER 202 -16.164 33.016 57.636 1.00 49.19 O ATOM 96 N PHE 203 -15.608 31.197 58.871 1.00 61.00 N ATOM 97 CA PHE 203 -14.376 30.996 58.162 1.00 61.00 C ATOM 98 CB PHE 203 -13.126 31.397 58.970 1.00 61.00 C ATOM 99 CG PHE 203 -13.100 32.876 59.177 1.00 61.00 C ATOM 100 CD1 PHE 203 -12.501 33.703 58.251 1.00 61.00 C ATOM 101 CD2 PHE 203 -13.662 33.436 60.302 1.00 61.00 C ATOM 102 CE1 PHE 203 -12.467 35.065 58.444 1.00 61.00 C ATOM 103 CE2 PHE 203 -13.631 34.797 60.499 1.00 61.00 C ATOM 104 CZ PHE 203 -13.037 35.614 59.568 1.00 61.00 C ATOM 105 C PHE 203 -14.206 29.548 57.823 1.00 61.00 C ATOM 106 O PHE 203 -14.726 28.653 58.491 1.00 61.00 O ATOM 107 N GLY 204 -13.472 29.311 56.720 1.00 31.77 N ATOM 108 CA GLY 204 -13.125 28.011 56.231 1.00 31.77 C ATOM 109 C GLY 204 -12.161 27.351 57.170 1.00 31.77 C ATOM 110 O GLY 204 -12.195 26.132 57.332 1.00 31.77 O ATOM 111 N GLN 205 -11.243 28.130 57.785 1.00 46.74 N ATOM 112 CA GLN 205 -10.215 27.524 58.596 1.00 46.74 C ATOM 113 CB GLN 205 -8.794 27.870 58.124 1.00 46.74 C ATOM 114 CG GLN 205 -8.515 27.366 56.713 1.00 46.74 C ATOM 115 CD GLN 205 -7.225 27.991 56.201 1.00 46.74 C ATOM 116 OE1 GLN 205 -6.309 28.290 56.967 1.00 46.74 O ATOM 117 NE2 GLN 205 -7.153 28.193 54.858 1.00 46.74 N ATOM 118 C GLN 205 -10.290 28.013 60.008 1.00 46.74 C ATOM 119 O GLN 205 -10.620 29.169 60.261 1.00 46.74 O ATOM 120 N LYS 206 -9.961 27.123 60.971 1.00 60.51 N ATOM 121 CA LYS 206 -9.970 27.456 62.369 1.00 60.51 C ATOM 122 CB LYS 206 -9.663 26.272 63.303 1.00 60.51 C ATOM 123 CG LYS 206 -9.605 26.720 64.764 1.00 60.51 C ATOM 124 CD LYS 206 -9.612 25.585 65.787 1.00 60.51 C ATOM 125 CE LYS 206 -10.977 25.388 66.445 1.00 60.51 C ATOM 126 NZ LYS 206 -10.907 24.291 67.437 1.00 60.51 N ATOM 127 C LYS 206 -8.928 28.489 62.663 1.00 60.51 C ATOM 128 O LYS 206 -9.158 29.411 63.445 1.00 60.51 O ATOM 129 N GLN 207 -7.743 28.361 62.042 1.00 41.41 N ATOM 130 CA GLN 207 -6.666 29.248 62.360 1.00 41.41 C ATOM 131 CB GLN 207 -5.365 28.879 61.627 1.00 41.41 C ATOM 132 CG GLN 207 -4.151 29.712 62.053 1.00 41.41 C ATOM 133 CD GLN 207 -2.904 29.032 61.501 1.00 41.41 C ATOM 134 OE1 GLN 207 -2.005 29.683 60.969 1.00 41.41 O ATOM 135 NE2 GLN 207 -2.841 27.681 61.648 1.00 41.41 N ATOM 136 C GLN 207 -7.082 30.625 61.977 1.00 41.41 C ATOM 137 O GLN 207 -6.775 31.598 62.665 1.00 41.41 O ATOM 138 N SER 208 -7.803 30.743 60.851 1.00 60.65 N ATOM 139 CA SER 208 -8.259 32.028 60.429 1.00 60.65 C ATOM 140 CB SER 208 -9.063 31.962 59.125 1.00 60.65 C ATOM 141 OG SER 208 -9.487 33.266 58.759 1.00 60.65 O ATOM 142 C SER 208 -9.174 32.552 61.489 1.00 60.65 C ATOM 143 O SER 208 -9.103 33.721 61.866 1.00 60.65 O ATOM 144 N PHE 209 -10.038 31.667 62.021 1.00 92.14 N ATOM 145 CA PHE 209 -11.002 32.050 63.012 1.00 92.14 C ATOM 146 CB PHE 209 -11.837 30.841 63.477 1.00 92.14 C ATOM 147 CG PHE 209 -12.781 31.247 64.559 1.00 92.14 C ATOM 148 CD1 PHE 209 -12.350 31.343 65.863 1.00 92.14 C ATOM 149 CD2 PHE 209 -14.102 31.511 64.275 1.00 92.14 C ATOM 150 CE1 PHE 209 -13.215 31.708 66.866 1.00 92.14 C ATOM 151 CE2 PHE 209 -14.974 31.874 65.274 1.00 92.14 C ATOM 152 CZ PHE 209 -14.532 31.978 66.571 1.00 92.14 C ATOM 153 C PHE 209 -10.264 32.586 64.197 1.00 92.14 C ATOM 154 O PHE 209 -10.577 33.663 64.703 1.00 92.14 O ATOM 155 N ASN 210 -9.246 31.845 64.668 1.00 28.93 N ATOM 156 CA ASN 210 -8.526 32.276 65.831 1.00 28.93 C ATOM 157 CB ASN 210 -7.441 31.280 66.283 1.00 28.93 C ATOM 158 CG ASN 210 -8.129 30.029 66.811 1.00 28.93 C ATOM 159 OD1 ASN 210 -9.349 29.895 66.725 1.00 28.93 O ATOM 160 ND2 ASN 210 -7.327 29.094 67.389 1.00 28.93 N ATOM 161 C ASN 210 -7.833 33.563 65.515 1.00 28.93 C ATOM 162 O ASN 210 -7.892 34.518 66.288 1.00 28.93 O ATOM 163 N THR 211 -7.171 33.635 64.345 1.00 13.45 N ATOM 164 CA THR 211 -6.442 34.821 63.997 1.00 13.45 C ATOM 165 CB THR 211 -5.812 34.753 62.633 1.00 13.45 C ATOM 166 OG1 THR 211 -4.910 33.659 62.563 1.00 13.45 O ATOM 167 CG2 THR 211 -5.066 36.072 62.362 1.00 13.45 C ATOM 168 C THR 211 -7.406 35.998 64.005 1.00 13.45 C ATOM 169 O THR 211 -7.184 36.933 64.823 1.00 13.45 O ATOM 170 OXT THR 211 -8.366 35.986 63.189 1.00 13.45 O