EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:05:33 REMARK 6 MODELLER OBJECTIVE FUNCTION: 82.2951 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 47.619 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1086.57422 REMARK 6 GA341 score: 0.78638 REMARK 6 Normalized DOPE score: -0.91974 REMARK 6 TEMPLATE: 1llmC01 101:C - 121:C MODELS 1: - 21: AT 47.6% ATOM 1 N GLU 343 7.039 40.155 77.773 1.00 50.76 N ATOM 2 CA GLU 343 5.570 40.092 77.624 1.00 50.76 C ATOM 3 CB GLU 343 4.918 41.343 78.241 1.00 50.76 C ATOM 4 CG GLU 343 5.359 42.660 77.596 1.00 50.76 C ATOM 5 CD GLU 343 4.636 43.786 78.320 1.00 50.76 C ATOM 6 OE1 GLU 343 4.414 43.642 79.552 1.00 50.76 O ATOM 7 OE2 GLU 343 4.300 44.806 77.660 1.00 50.76 O ATOM 8 C GLU 343 5.201 40.004 76.181 1.00 50.76 C ATOM 9 O GLU 343 6.004 39.587 75.347 1.00 50.76 O ATOM 10 N LYS 344 3.947 40.354 75.847 1.00 82.97 N ATOM 11 CA LYS 344 3.590 40.319 74.461 1.00 82.97 C ATOM 12 CB LYS 344 2.399 39.391 74.165 1.00 82.97 C ATOM 13 CG LYS 344 2.799 37.916 74.293 1.00 82.97 C ATOM 14 CD LYS 344 1.631 36.936 74.390 1.00 82.97 C ATOM 15 CE LYS 344 1.121 36.730 75.819 1.00 82.97 C ATOM 16 NZ LYS 344 0.084 35.676 75.835 1.00 82.97 N ATOM 17 C LYS 344 3.278 41.724 74.056 1.00 82.97 C ATOM 18 O LYS 344 2.176 42.241 74.226 1.00 82.97 O ATOM 19 N PRO 345 4.308 42.320 73.520 1.00 80.67 N ATOM 20 CA PRO 345 4.360 43.700 73.121 1.00 80.67 C ATOM 21 CD PRO 345 5.454 41.562 73.041 1.00 80.67 C ATOM 22 CB PRO 345 5.802 43.924 72.662 1.00 80.67 C ATOM 23 CG PRO 345 6.234 42.541 72.148 1.00 80.67 C ATOM 24 C PRO 345 3.404 44.127 72.050 1.00 80.67 C ATOM 25 O PRO 345 3.033 45.299 72.050 1.00 80.67 O ATOM 26 N PHE 346 2.991 43.247 71.117 1.00113.91 N ATOM 27 CA PHE 346 2.195 43.790 70.054 1.00113.91 C ATOM 28 CB PHE 346 2.677 43.401 68.645 1.00113.91 C ATOM 29 CG PHE 346 3.996 44.071 68.450 1.00113.91 C ATOM 30 CD1 PHE 346 4.066 45.355 67.958 1.00113.91 C ATOM 31 CD2 PHE 346 5.163 43.420 68.778 1.00113.91 C ATOM 32 CE1 PHE 346 5.280 45.975 67.781 1.00113.91 C ATOM 33 CE2 PHE 346 6.380 44.035 68.602 1.00113.91 C ATOM 34 CZ PHE 346 6.440 45.313 68.102 1.00113.91 C ATOM 35 C PHE 346 0.769 43.385 70.202 1.00113.91 C ATOM 36 O PHE 346 0.448 42.215 70.398 1.00113.91 O ATOM 37 N THR 347 -0.135 44.375 70.087 1.00100.76 N ATOM 38 CA THR 347 -1.531 44.109 70.247 1.00100.76 C ATOM 39 CB THR 347 -2.157 44.921 71.345 0.50100.76 C ATOM 40 OG1 THR 347 -3.499 44.513 71.560 1.00100.76 O ATOM 41 CG2 THR 347 -2.111 46.409 70.954 1.00100.76 C ATOM 42 C THR 347 -2.239 44.453 68.974 1.00100.76 C ATOM 43 O THR 347 -1.853 45.375 68.257 1.00100.76 O ATOM 44 N CYS 348 -3.298 43.680 68.656 1.00 38.17 N ATOM 45 CA CYS 348 -4.100 43.954 67.499 1.00 38.17 C ATOM 46 CB CYS 348 -4.831 42.724 66.934 1.00 38.17 C ATOM 47 SG CYS 348 -5.900 43.151 65.526 1.00 38.17 S ATOM 48 C CYS 348 -5.146 44.932 67.928 1.00 38.17 C ATOM 49 O CYS 348 -5.739 44.807 68.997 1.00 38.17 O ATOM 50 N THR 349 -5.382 45.954 67.091 1.00114.69 N ATOM 51 CA THR 349 -6.298 47.002 67.427 1.00114.69 C ATOM 52 CB THR 349 -6.294 48.106 66.415 1.00114.69 C ATOM 53 OG1 THR 349 -6.748 47.621 65.162 1.00114.69 O ATOM 54 CG2 THR 349 -4.858 48.631 66.273 1.00114.69 C ATOM 55 C THR 349 -7.711 46.508 67.521 1.00114.69 C ATOM 56 O THR 349 -8.434 46.886 68.443 1.00114.69 O ATOM 57 N GLN 350 -8.179 45.703 66.546 1.00107.57 N ATOM 58 CA GLN 350 -9.568 45.340 66.634 1.00107.57 C ATOM 59 CB GLN 350 -10.134 44.717 65.343 1.00107.57 C ATOM 60 CG GLN 350 -11.629 44.400 65.460 1.00107.57 C ATOM 61 CD GLN 350 -12.148 43.898 64.117 1.00107.57 C ATOM 62 OE1 GLN 350 -12.258 44.665 63.162 1.00107.57 O ATOM 63 NE2 GLN 350 -12.489 42.583 64.040 1.00107.57 N ATOM 64 C GLN 350 -9.832 44.362 67.737 1.00107.57 C ATOM 65 O GLN 350 -10.683 44.591 68.597 1.00107.57 O ATOM 66 N CYS 351 -9.091 43.238 67.721 1.00 89.15 N ATOM 67 CA CYS 351 -9.243 42.136 68.630 1.00 89.15 C ATOM 68 CB CYS 351 -8.462 40.903 68.148 1.00 89.15 C ATOM 69 SG CYS 351 -8.588 39.504 69.294 1.00 89.15 S ATOM 70 C CYS 351 -8.744 42.491 69.996 1.00 89.15 C ATOM 71 O CYS 351 -9.324 42.091 71.005 1.00 89.15 O ATOM 72 N GLU 352 -7.654 43.276 70.041 1.00103.28 N ATOM 73 CA GLU 352 -6.950 43.659 71.230 1.00103.28 C ATOM 74 CB GLU 352 -7.835 44.285 72.319 1.00103.28 C ATOM 75 CG GLU 352 -6.996 44.933 73.421 1.00103.28 C ATOM 76 CD GLU 352 -7.911 45.343 74.556 1.00103.28 C ATOM 77 OE1 GLU 352 -9.156 45.302 74.367 1.00103.28 O ATOM 78 OE2 GLU 352 -7.371 45.697 75.637 1.00103.28 O ATOM 79 C GLU 352 -6.238 42.472 71.819 1.00103.28 C ATOM 80 O GLU 352 -5.904 42.456 73.003 1.00103.28 O ATOM 81 N LYS 353 -5.944 41.444 71.003 1.00 44.05 N ATOM 82 CA LYS 353 -5.185 40.342 71.521 1.00 44.05 C ATOM 83 CB LYS 353 -5.260 39.082 70.642 1.00 44.05 C ATOM 84 CG LYS 353 -4.501 37.876 71.201 1.00 44.05 C ATOM 85 CD LYS 353 -4.867 36.562 70.503 1.00 44.05 C ATOM 86 CE LYS 353 -4.117 35.343 71.047 1.00 44.05 C ATOM 87 NZ LYS 353 -4.585 34.104 70.380 1.00 44.05 N ATOM 88 C LYS 353 -3.758 40.796 71.537 1.00 44.05 C ATOM 89 O LYS 353 -3.377 41.649 70.737 1.00 44.05 O ATOM 90 N SER 354 -2.942 40.240 72.463 1.00 81.60 N ATOM 91 CA SER 354 -1.559 40.618 72.580 1.00 81.60 C ATOM 92 CB SER 354 -1.128 40.892 74.032 1.00 81.60 C ATOM 93 OG SER 354 -1.209 39.696 74.796 1.00 81.60 O ATOM 94 C SER 354 -0.732 39.474 72.080 1.00 81.60 C ATOM 95 O SER 354 -1.090 38.314 72.276 1.00 81.60 O ATOM 96 N PHE 355 0.403 39.780 71.415 1.00 52.30 N ATOM 97 CA PHE 355 1.215 38.745 70.844 1.00 52.30 C ATOM 98 CB PHE 355 1.217 38.762 69.305 1.00 52.30 C ATOM 99 CG PHE 355 -0.158 38.450 68.828 1.00 52.30 C ATOM 100 CD1 PHE 355 -1.111 39.440 68.742 1.00 52.30 C ATOM 101 CD2 PHE 355 -0.493 37.169 68.460 1.00 52.30 C ATOM 102 CE1 PHE 355 -2.381 39.157 68.299 1.00 52.30 C ATOM 103 CE2 PHE 355 -1.762 36.879 68.016 1.00 52.30 C ATOM 104 CZ PHE 355 -2.708 37.873 67.939 1.00 52.30 C ATOM 105 C PHE 355 2.639 38.942 71.258 1.00 52.30 C ATOM 106 O PHE 355 3.120 40.066 71.398 1.00 52.30 O ATOM 107 N SER 356 3.343 37.813 71.469 1.00 35.36 N ATOM 108 CA SER 356 4.724 37.812 71.850 1.00 35.36 C ATOM 109 CB SER 356 5.225 36.419 72.261 1.00 35.36 C ATOM 110 OG SER 356 5.147 35.532 71.155 1.00 35.36 O ATOM 111 C SER 356 5.555 38.262 70.689 1.00 35.36 C ATOM 112 O SER 356 6.607 38.873 70.877 1.00 35.36 O ATOM 113 N GLN 357 5.120 37.966 69.448 1.00 84.94 N ATOM 114 CA GLN 357 5.944 38.372 68.348 1.00 84.94 C ATOM 115 CB GLN 357 6.628 37.198 67.630 1.00 84.94 C ATOM 116 CG GLN 357 7.644 37.657 66.583 1.00 84.94 C ATOM 117 CD GLN 357 8.328 36.416 66.036 1.00 84.94 C ATOM 118 OE1 GLN 357 7.824 35.773 65.118 1.00 84.94 O ATOM 119 NE2 GLN 357 9.505 36.061 66.617 1.00 84.94 N ATOM 120 C GLN 357 5.114 39.106 67.344 1.00 84.94 C ATOM 121 O GLN 357 3.943 38.797 67.130 1.00 84.94 O ATOM 122 N SER 358 5.738 40.110 66.696 1.00 69.44 N ATOM 123 CA SER 358 5.077 40.932 65.726 1.00 69.44 C ATOM 124 CB SER 358 5.942 42.091 65.219 1.00 69.44 C ATOM 125 OG SER 358 5.204 42.845 64.270 1.00 69.44 O ATOM 126 C SER 358 4.712 40.113 64.531 1.00 69.44 C ATOM 127 O SER 358 3.696 40.372 63.889 1.00 69.44 O ATOM 128 N SER 359 5.531 39.094 64.212 1.00 64.17 N ATOM 129 CA SER 359 5.291 38.285 63.053 1.00 64.17 C ATOM 130 CB SER 359 6.282 37.112 62.948 1.00 64.17 C ATOM 131 OG SER 359 5.963 36.292 61.834 1.00 64.17 O ATOM 132 C SER 359 3.928 37.692 63.179 1.00 64.17 C ATOM 133 O SER 359 3.141 37.720 62.234 1.00 64.17 O ATOM 134 N HIS 360 3.612 37.151 64.368 1.00 68.89 N ATOM 135 CA HIS 360 2.339 36.530 64.573 1.00 68.89 C ATOM 136 ND1 HIS 360 4.450 34.875 66.653 1.00 68.89 N ATOM 137 CG HIS 360 3.176 34.727 66.154 1.00 68.89 C ATOM 138 CB HIS 360 2.215 35.868 65.959 1.00 68.89 C ATOM 139 NE2 HIS 360 4.187 32.709 66.224 1.00 68.89 N ATOM 140 CD2 HIS 360 3.030 33.398 65.898 1.00 68.89 C ATOM 141 CE1 HIS 360 5.010 33.638 66.673 1.00 68.89 C ATOM 142 C HIS 360 1.266 37.572 64.449 1.00 68.89 C ATOM 143 O HIS 360 0.222 37.332 63.846 1.00 68.89 O ATOM 144 N LEU 361 1.493 38.772 65.012 1.00 42.43 N ATOM 145 CA LEU 361 0.473 39.781 64.974 1.00 42.43 C ATOM 146 CB LEU 361 0.835 41.053 65.762 0.50 42.43 C ATOM 147 CG LEU 361 -0.272 42.122 65.704 0.50 42.43 C ATOM 148 CD1 LEU 361 -1.589 41.600 66.292 0.50 42.43 C ATOM 149 CD2 LEU 361 0.187 43.436 66.356 0.50 42.43 C ATOM 150 C LEU 361 0.196 40.192 63.561 1.00 42.43 C ATOM 151 O LEU 361 -0.956 40.401 63.181 1.00 42.43 O ATOM 152 N ASN 362 1.249 40.310 62.735 1.00 30.63 N ATOM 153 CA ASN 362 1.069 40.792 61.398 1.00 30.63 C ATOM 154 CB ASN 362 2.386 40.837 60.605 1.00 30.63 C ATOM 155 CG ASN 362 3.289 41.883 61.256 1.00 30.63 C ATOM 156 OD1 ASN 362 2.890 42.583 62.186 1.00 30.63 O ATOM 157 ND2 ASN 362 4.543 42.007 60.745 1.00 30.63 N ATOM 158 C ASN 362 0.131 39.881 60.677 1.00 30.63 C ATOM 159 O ASN 362 -0.805 40.344 60.028 1.00 30.63 O ATOM 160 N GLU 363 0.336 38.555 60.776 1.00 16.27 N ATOM 161 CA GLU 363 -0.562 37.697 60.063 1.00 16.27 C ATOM 162 CB GLU 363 0.027 36.315 59.734 1.00 16.27 C ATOM 163 CG GLU 363 1.148 36.376 58.692 1.00 16.27 C ATOM 164 CD GLU 363 1.640 34.961 58.430 1.00 16.27 C ATOM 165 OE1 GLU 363 1.547 34.123 59.365 1.00 16.27 O ATOM 166 OE2 GLU 363 2.115 34.699 57.292 1.00 16.27 O ATOM 167 C GLU 363 -1.800 37.503 60.927 1.00 16.27 C ATOM 168 O GLU 363 -2.702 36.727 60.511 1.00 16.27 O ATOM 169 OXT GLU 363 -1.861 38.134 62.014 1.00 16.27 O