EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:03:35 REMARK 6 MODELLER OBJECTIVE FUNCTION: 95.5083 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 57.143 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1222.68823 REMARK 6 GA341 score: 0.78673 REMARK 6 Normalized DOPE score: -0.43532 REMARK 6 TEMPLATE: 2i13A02 75:A - 95:A MODELS 1: - 21: AT 57.1% ATOM 1 N GLU 247 -29.125 20.559 48.416 1.00 68.88 N ATOM 2 CA GLU 247 -29.063 22.027 48.613 1.00 68.88 C ATOM 3 CB GLU 247 -29.920 22.468 49.804 1.00 68.88 C ATOM 4 CG GLU 247 -31.428 22.369 49.595 1.00 68.88 C ATOM 5 CD GLU 247 -32.068 22.770 50.913 1.00 68.88 C ATOM 6 OE1 GLU 247 -32.165 23.997 51.187 1.00 68.88 O ATOM 7 OE2 GLU 247 -32.459 21.844 51.671 1.00 68.88 O ATOM 8 C GLU 247 -27.682 22.461 48.943 1.00 68.88 C ATOM 9 O GLU 247 -26.709 21.754 48.683 1.00 68.88 O ATOM 10 N LYS 248 -27.573 23.671 49.518 1.00100.04 N ATOM 11 CA LYS 248 -26.290 24.157 49.919 1.00100.04 C ATOM 12 CB LYS 248 -25.969 25.556 49.374 1.00100.04 C ATOM 13 CG LYS 248 -26.137 25.674 47.861 1.00100.04 C ATOM 14 CD LYS 248 -27.608 25.626 47.443 1.00100.04 C ATOM 15 CE LYS 248 -27.846 25.779 45.938 1.00100.04 C ATOM 16 NZ LYS 248 -29.297 25.730 45.652 1.00100.04 N ATOM 17 C LYS 248 -26.382 24.307 51.400 1.00100.04 C ATOM 18 O LYS 248 -26.968 25.254 51.916 1.00100.04 O ATOM 19 N PRO 249 -25.812 23.363 52.074 1.00115.98 N ATOM 20 CA PRO 249 -25.831 23.278 53.500 1.00115.98 C ATOM 21 CD PRO 249 -25.175 22.224 51.442 1.00115.98 C ATOM 22 CB PRO 249 -25.133 21.965 53.855 1.00115.98 C ATOM 23 CG PRO 249 -25.129 21.157 52.545 1.00115.98 C ATOM 24 C PRO 249 -25.119 24.414 54.148 1.00115.98 C ATOM 25 O PRO 249 -25.524 24.802 55.240 1.00115.98 O ATOM 26 N TYR 250 -24.076 24.980 53.512 1.00 69.30 N ATOM 27 CA TYR 250 -23.304 25.933 54.252 1.00 69.30 C ATOM 28 CB TYR 250 -21.793 25.661 54.172 1.00 69.30 C ATOM 29 CG TYR 250 -21.595 24.287 54.699 1.00 69.30 C ATOM 30 CD1 TYR 250 -21.754 24.030 56.037 1.00 69.30 C ATOM 31 CD2 TYR 250 -21.240 23.261 53.849 1.00 69.30 C ATOM 32 CE1 TYR 250 -21.573 22.759 56.528 1.00 69.30 C ATOM 33 CE2 TYR 250 -21.056 21.989 54.333 1.00 69.30 C ATOM 34 CZ TYR 250 -21.220 21.743 55.675 1.00 69.30 C ATOM 35 OH TYR 250 -21.032 20.439 56.178 1.00 69.30 O ATOM 36 C TYR 250 -23.532 27.291 53.692 1.00 69.30 C ATOM 37 O TYR 250 -23.378 27.515 52.495 1.00 69.30 O ATOM 38 N ARG 251 -23.915 28.255 54.544 1.00139.39 N ATOM 39 CA ARG 251 -24.128 29.549 53.977 1.00139.39 C ATOM 40 CB ARG 251 -25.592 30.021 54.074 1.00139.39 C ATOM 41 CG ARG 251 -26.140 30.085 55.500 1.00139.39 C ATOM 42 CD ARG 251 -27.601 30.542 55.561 1.00139.39 C ATOM 43 NE ARG 251 -28.448 29.410 55.092 1.00139.39 N ATOM 44 CZ ARG 251 -29.777 29.584 54.833 1.00139.39 C ATOM 45 NH1 ARG 251 -30.351 30.820 54.947 1.00139.39 N ATOM 46 NH2 ARG 251 -30.538 28.514 54.464 1.00139.39 N ATOM 47 C ARG 251 -23.227 30.525 54.657 1.00139.39 C ATOM 48 O ARG 251 -22.926 30.386 55.841 1.00139.39 O ATOM 49 N CYS 252 -22.722 31.512 53.889 1.00 47.05 N ATOM 50 CA CYS 252 -21.878 32.537 54.435 1.00 47.05 C ATOM 51 CB CYS 252 -21.161 33.376 53.355 1.00 47.05 C ATOM 52 SG CYS 252 -20.210 34.776 54.024 1.00 47.05 S ATOM 53 C CYS 252 -22.756 33.454 55.231 1.00 47.05 C ATOM 54 O CYS 252 -23.793 33.912 54.755 1.00 47.05 O ATOM 55 N THR 253 -22.357 33.733 56.484 1.00113.42 N ATOM 56 CA THR 253 -23.151 34.555 57.351 1.00113.42 C ATOM 57 CB THR 253 -22.641 34.534 58.758 1.00113.42 C ATOM 58 OG1 THR 253 -21.294 34.976 58.801 1.00113.42 O ATOM 59 CG2 THR 253 -22.735 33.086 59.268 1.00113.42 C ATOM 60 C THR 253 -23.204 35.964 56.855 1.00113.42 C ATOM 61 O THR 253 -24.269 36.583 56.874 1.00113.42 O ATOM 62 N GLU 254 -22.056 36.540 56.441 1.00119.41 N ATOM 63 CA GLU 254 -22.135 37.904 55.991 1.00119.41 C ATOM 64 CB GLU 254 -20.783 38.642 55.892 1.00119.41 C ATOM 65 CG GLU 254 -20.132 38.990 57.234 1.00119.41 C ATOM 66 CD GLU 254 -19.120 37.905 57.562 1.00119.41 C ATOM 67 OE1 GLU 254 -19.525 36.714 57.648 1.00119.41 O ATOM 68 OE2 GLU 254 -17.919 38.252 57.720 1.00119.41 O ATOM 69 C GLU 254 -22.784 38.024 54.643 1.00119.41 C ATOM 70 O GLU 254 -23.704 38.822 54.467 1.00119.41 O ATOM 71 N CYS 255 -22.286 37.242 53.660 1.00 96.19 N ATOM 72 CA CYS 255 -22.687 37.259 52.274 1.00 96.19 C ATOM 73 CB CYS 255 -21.735 36.396 51.430 1.00 96.19 C ATOM 74 SG CYS 255 -22.259 36.202 49.704 1.00 96.19 S ATOM 75 C CYS 255 -24.072 36.722 52.047 1.00 96.19 C ATOM 76 O CYS 255 -24.900 37.368 51.403 1.00 96.19 O ATOM 77 N GLY 256 -24.364 35.521 52.585 1.00 30.44 N ATOM 78 CA GLY 256 -25.629 34.886 52.350 1.00 30.44 C ATOM 79 C GLY 256 -25.499 33.917 51.203 1.00 30.44 C ATOM 80 O GLY 256 -26.474 33.258 50.844 1.00 30.44 O ATOM 81 N LYS 257 -24.302 33.793 50.582 1.00148.66 N ATOM 82 CA LYS 257 -24.196 32.856 49.490 1.00148.66 C ATOM 83 CB LYS 257 -22.994 33.105 48.550 1.00148.66 C ATOM 84 CG LYS 257 -23.277 32.719 47.089 1.00148.66 C ATOM 85 CD LYS 257 -23.747 31.285 46.853 1.00148.66 C ATOM 86 CE LYS 257 -24.537 31.119 45.549 1.00148.66 C ATOM 87 NZ LYS 257 -23.674 31.375 44.373 1.00148.66 N ATOM 88 C LYS 257 -24.048 31.491 50.106 1.00148.66 C ATOM 89 O LYS 257 -23.423 31.344 51.155 1.00148.66 O ATOM 90 N SER 258 -24.626 30.445 49.472 1.00 55.57 N ATOM 91 CA SER 258 -24.574 29.131 50.059 1.00 55.57 C ATOM 92 CB SER 258 -25.955 28.477 50.215 1.00 55.57 C ATOM 93 OG SER 258 -26.767 29.255 51.083 1.00 55.57 O ATOM 94 C SER 258 -23.749 28.242 49.184 1.00 55.57 C ATOM 95 O SER 258 -23.678 28.447 47.973 1.00 55.57 O ATOM 96 N PHE 259 -23.104 27.217 49.787 1.00 66.04 N ATOM 97 CA PHE 259 -22.223 26.370 49.032 1.00 66.04 C ATOM 98 CB PHE 259 -20.750 26.579 49.403 1.00 66.04 C ATOM 99 CG PHE 259 -20.386 27.968 49.013 1.00 66.04 C ATOM 100 CD1 PHE 259 -19.906 28.241 47.751 1.00 66.04 C ATOM 101 CD2 PHE 259 -20.534 28.995 49.914 1.00 66.04 C ATOM 102 CE1 PHE 259 -19.578 29.528 47.394 1.00 66.04 C ATOM 103 CE2 PHE 259 -20.210 30.283 49.561 1.00 66.04 C ATOM 104 CZ PHE 259 -19.724 30.549 48.304 1.00 66.04 C ATOM 105 C PHE 259 -22.524 24.926 49.287 1.00 66.04 C ATOM 106 O PHE 259 -23.059 24.550 50.332 1.00 66.04 O ATOM 107 N ILE 260 -22.186 24.085 48.290 1.00126.61 N ATOM 108 CA ILE 260 -22.343 22.660 48.311 1.00126.61 C ATOM 109 CB ILE 260 -22.019 22.015 46.985 1.00126.61 C ATOM 110 CG1 ILE 260 -22.348 20.510 47.017 1.00126.61 C ATOM 111 CG2 ILE 260 -20.546 22.307 46.648 1.00126.61 C ATOM 112 CD1 ILE 260 -23.835 20.184 47.137 1.00126.61 C ATOM 113 C ILE 260 -21.428 22.056 49.337 1.00126.61 C ATOM 114 O ILE 260 -21.821 21.123 50.034 1.00126.61 O ATOM 115 N ARG 261 -20.179 22.567 49.446 1.00116.47 N ATOM 116 CA ARG 261 -19.195 21.966 50.311 1.00116.47 C ATOM 117 CB ARG 261 -17.863 21.630 49.615 1.00116.47 C ATOM 118 CG ARG 261 -17.871 20.407 48.698 1.00116.47 C ATOM 119 CD ARG 261 -17.752 19.075 49.451 1.00116.47 C ATOM 120 NE ARG 261 -16.436 19.026 50.157 1.00116.47 N ATOM 121 CZ ARG 261 -15.351 18.428 49.575 1.00116.47 C ATOM 122 NH1 ARG 261 -15.455 17.875 48.332 1.00116.47 N ATOM 123 NH2 ARG 261 -14.159 18.377 50.238 1.00116.47 N ATOM 124 C ARG 261 -18.787 22.906 51.395 1.00116.47 C ATOM 125 O ARG 261 -18.758 24.122 51.214 1.00116.47 O ATOM 126 N LYS 262 -18.443 22.328 52.565 1.00 58.84 N ATOM 127 CA LYS 262 -17.957 23.066 53.696 1.00 58.84 C ATOM 128 CB LYS 262 -17.710 22.175 54.933 1.00 58.84 C ATOM 129 CG LYS 262 -17.189 22.953 56.150 1.00 58.84 C ATOM 130 CD LYS 262 -17.299 22.208 57.487 1.00 58.84 C ATOM 131 CE LYS 262 -18.638 22.419 58.200 1.00 58.84 C ATOM 132 NZ LYS 262 -18.712 21.583 59.420 1.00 58.84 N ATOM 133 C LYS 262 -16.642 23.670 53.321 1.00 58.84 C ATOM 134 O LYS 262 -16.358 24.819 53.656 1.00 58.84 O ATOM 135 N SER 263 -15.812 22.901 52.593 1.00 68.02 N ATOM 136 CA SER 263 -14.488 23.334 52.238 1.00 68.02 C ATOM 137 CB SER 263 -13.713 22.242 51.467 1.00 68.02 C ATOM 138 OG SER 263 -12.403 22.689 51.132 1.00 68.02 O ATOM 139 C SER 263 -14.572 24.556 51.373 1.00 68.02 C ATOM 140 O SER 263 -13.776 25.482 51.529 1.00 68.02 O ATOM 141 N THR 264 -15.535 24.609 50.435 1.00 96.10 N ATOM 142 CA THR 264 -15.580 25.754 49.572 1.00 96.10 C ATOM 143 CB THR 264 -16.566 25.636 48.442 1.00 96.10 C ATOM 144 OG1 THR 264 -16.400 26.718 47.539 1.00 96.10 O ATOM 145 CG2 THR 264 -17.991 25.644 49.011 1.00 96.10 C ATOM 146 C THR 264 -15.915 26.980 50.359 1.00 96.10 C ATOM 147 O THR 264 -15.334 28.039 50.132 1.00 96.10 O ATOM 148 N LEU 265 -16.870 26.877 51.306 1.00114.09 N ATOM 149 CA LEU 265 -17.306 28.016 52.070 1.00114.09 C ATOM 150 CB LEU 265 -18.505 27.687 52.973 1.00114.09 C ATOM 151 CG LEU 265 -18.905 28.792 53.984 1.00114.09 C ATOM 152 CD1 LEU 265 -18.033 28.782 55.252 1.00114.09 C ATOM 153 CD2 LEU 265 -18.900 30.173 53.319 1.00114.09 C ATOM 154 C LEU 265 -16.225 28.565 52.945 1.00114.09 C ATOM 155 O LEU 265 -15.985 29.773 52.946 1.00114.09 O ATOM 156 N ASN 266 -15.529 27.690 53.695 1.00 45.65 N ATOM 157 CA ASN 266 -14.559 28.169 54.640 1.00 45.65 C ATOM 158 CB ASN 266 -13.827 27.048 55.401 1.00 45.65 C ATOM 159 CG ASN 266 -14.750 26.522 56.490 1.00 45.65 C ATOM 160 OD1 ASN 266 -14.348 25.710 57.321 1.00 45.65 O ATOM 161 ND2 ASN 266 -16.022 27.003 56.491 1.00 45.65 N ATOM 162 C ASN 266 -13.528 28.930 53.893 1.00 45.65 C ATOM 163 O ASN 266 -13.104 30.004 54.319 1.00 45.65 O ATOM 164 N TYR 267 -13.105 28.399 52.738 1.00 67.29 N ATOM 165 CA TYR 267 -12.082 29.074 52.010 1.00 67.29 C ATOM 166 CB TYR 267 -11.585 28.289 50.789 1.00 67.29 C ATOM 167 CG TYR 267 -10.362 28.999 50.330 1.00 67.29 C ATOM 168 CD1 TYR 267 -9.146 28.724 50.914 1.00 67.29 C ATOM 169 CD2 TYR 267 -10.426 29.945 49.334 1.00 67.29 C ATOM 170 CE1 TYR 267 -8.009 29.379 50.505 1.00 67.29 C ATOM 171 CE2 TYR 267 -9.292 30.602 48.921 1.00 67.29 C ATOM 172 CZ TYR 267 -8.080 30.319 49.505 1.00 67.29 C ATOM 173 OH TYR 267 -6.917 30.995 49.083 1.00 67.29 O ATOM 174 C TYR 267 -12.653 30.404 51.519 1.00 67.29 C ATOM 175 O TYR 267 -11.868 31.382 51.388 1.00 67.29 O ATOM 176 OXT TYR 267 -13.886 30.457 51.268 1.00 67.29 O