EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:03:34 REMARK 6 MODELLER OBJECTIVE FUNCTION: 94.6342 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 52.174 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1477.60303 REMARK 6 GA341 score: 0.99183 REMARK 6 Normalized DOPE score: -0.37869 REMARK 6 TEMPLATE: 2i13A02 75:A - 97:A MODELS 1: - 23: AT 52.2% ATOM 1 N GLU 231 -26.853 28.530 56.767 1.00 99.75 N ATOM 2 CA GLU 231 -26.192 29.828 57.015 1.00 99.75 C ATOM 3 CB GLU 231 -26.878 30.565 58.179 1.00 99.75 C ATOM 4 CG GLU 231 -28.342 30.919 57.922 1.00 99.75 C ATOM 5 CD GLU 231 -28.398 31.932 56.792 1.00 99.75 C ATOM 6 OE1 GLU 231 -28.086 31.544 55.634 1.00 99.75 O ATOM 7 OE2 GLU 231 -28.752 33.108 57.074 1.00 99.75 O ATOM 8 C GLU 231 -24.777 29.591 57.416 1.00 99.75 C ATOM 9 O GLU 231 -24.369 28.455 57.652 1.00 99.75 O ATOM 10 N LYS 232 -23.973 30.669 57.471 1.00 56.16 N ATOM 11 CA LYS 232 -22.620 30.519 57.913 1.00 56.16 C ATOM 12 CB LYS 232 -21.607 30.928 56.832 1.00 56.16 C ATOM 13 CG LYS 232 -21.674 29.991 55.623 1.00 56.16 C ATOM 14 CD LYS 232 -21.014 30.535 54.357 1.00 56.16 C ATOM 15 CE LYS 232 -21.122 29.584 53.162 1.00 56.16 C ATOM 16 NZ LYS 232 -20.611 30.244 51.940 1.00 56.16 N ATOM 17 C LYS 232 -22.481 31.429 59.087 1.00 56.16 C ATOM 18 O LYS 232 -22.108 32.595 58.969 1.00 56.16 O ATOM 19 N PRO 233 -22.809 30.884 60.223 1.00121.86 N ATOM 20 CA PRO 233 -22.798 31.622 61.456 1.00121.86 C ATOM 21 CD PRO 233 -23.763 29.791 60.263 1.00121.86 C ATOM 22 CB PRO 233 -23.689 30.844 62.430 1.00121.86 C ATOM 23 CG PRO 233 -23.918 29.483 61.757 1.00121.86 C ATOM 24 C PRO 233 -21.460 31.964 62.030 1.00121.86 C ATOM 25 O PRO 233 -21.408 32.857 62.874 1.00121.86 O ATOM 26 N PHE 234 -20.369 31.291 61.623 1.00 55.51 N ATOM 27 CA PHE 234 -19.131 31.570 62.293 1.00 55.51 C ATOM 28 CB PHE 234 -18.302 30.300 62.538 1.00 55.51 C ATOM 29 CG PHE 234 -19.154 29.416 63.382 1.00 55.51 C ATOM 30 CD1 PHE 234 -19.186 29.566 64.748 1.00 55.51 C ATOM 31 CD2 PHE 234 -19.932 28.441 62.800 1.00 55.51 C ATOM 32 CE1 PHE 234 -19.979 28.752 65.521 1.00 55.51 C ATOM 33 CE2 PHE 234 -20.727 27.624 63.568 1.00 55.51 C ATOM 34 CZ PHE 234 -20.749 27.778 64.933 1.00 55.51 C ATOM 35 C PHE 234 -18.317 32.499 61.452 1.00 55.51 C ATOM 36 O PHE 234 -17.966 32.177 60.320 1.00 55.51 O ATOM 37 N THR 235 -17.970 33.682 62.005 1.00 96.41 N ATOM 38 CA THR 235 -17.220 34.631 61.232 1.00 96.41 C ATOM 39 CB THR 235 -17.886 35.969 61.105 1.00 96.41 C ATOM 40 OG1 THR 235 -17.182 36.781 60.176 1.00 96.41 O ATOM 41 CG2 THR 235 -17.919 36.640 62.489 1.00 96.41 C ATOM 42 C THR 235 -15.890 34.863 61.876 1.00 96.41 C ATOM 43 O THR 235 -15.771 34.920 63.100 1.00 96.41 O ATOM 44 N CYS 236 -14.843 34.983 61.033 1.00 42.23 N ATOM 45 CA CYS 236 -13.504 35.227 61.493 1.00 42.23 C ATOM 46 CB CYS 236 -12.438 34.938 60.419 1.00 42.23 C ATOM 47 SG CYS 236 -10.743 35.249 60.998 1.00 42.23 S ATOM 48 C CYS 236 -13.398 36.674 61.860 1.00 42.23 C ATOM 49 O CYS 236 -13.777 37.554 61.089 1.00 42.23 O ATOM 50 N THR 237 -12.858 36.959 63.059 1.00105.65 N ATOM 51 CA THR 237 -12.773 38.318 63.501 1.00105.65 C ATOM 52 CB THR 237 -12.299 38.444 64.922 1.00105.65 C ATOM 53 OG1 THR 237 -12.394 39.795 65.346 1.00105.65 O ATOM 54 CG2 THR 237 -10.847 37.950 65.038 1.00105.65 C ATOM 55 C THR 237 -11.840 39.096 62.624 1.00105.65 C ATOM 56 O THR 237 -12.123 40.243 62.279 1.00105.65 O ATOM 57 N GLN 238 -10.678 38.512 62.277 1.00111.05 N ATOM 58 CA GLN 238 -9.720 39.275 61.533 1.00111.05 C ATOM 59 CB GLN 238 -8.349 38.583 61.523 1.00111.05 C ATOM 60 CG GLN 238 -7.791 38.395 62.934 1.00111.05 C ATOM 61 CD GLN 238 -6.443 37.703 62.828 1.00111.05 C ATOM 62 OE1 GLN 238 -5.548 38.163 62.121 1.00111.05 O ATOM 63 NE2 GLN 238 -6.295 36.556 63.544 1.00111.05 N ATOM 64 C GLN 238 -10.126 39.520 60.107 1.00111.05 C ATOM 65 O GLN 238 -10.213 40.668 59.668 1.00111.05 O ATOM 66 N CYS 239 -10.365 38.425 59.354 1.00100.75 N ATOM 67 CA CYS 239 -10.682 38.437 57.947 1.00100.75 C ATOM 68 CB CYS 239 -10.493 37.043 57.328 1.00100.75 C ATOM 69 SG CYS 239 -10.889 37.001 55.560 1.00100.75 S ATOM 70 C CYS 239 -12.088 38.865 57.655 1.00100.75 C ATOM 71 O CYS 239 -12.326 39.650 56.740 1.00100.75 O ATOM 72 N GLY 240 -13.064 38.353 58.426 1.00 25.03 N ATOM 73 CA GLY 240 -14.438 38.663 58.152 1.00 25.03 C ATOM 74 C GLY 240 -15.052 37.548 57.349 1.00 25.03 C ATOM 75 O GLY 240 -16.233 37.609 57.011 1.00 25.03 O ATOM 76 N LYS 241 -14.277 36.495 57.016 1.00 51.46 N ATOM 77 CA LYS 241 -14.822 35.406 56.246 1.00 51.46 C ATOM 78 CB LYS 241 -13.750 34.469 55.666 1.00 51.46 C ATOM 79 CG LYS 241 -14.312 33.422 54.703 1.00 51.46 C ATOM 80 CD LYS 241 -13.237 32.703 53.887 1.00 51.46 C ATOM 81 CE LYS 241 -13.791 31.615 52.967 1.00 51.46 C ATOM 82 NZ LYS 241 -12.691 31.002 52.192 1.00 51.46 N ATOM 83 C LYS 241 -15.720 34.588 57.132 1.00 51.46 C ATOM 84 O LYS 241 -15.457 34.438 58.325 1.00 51.46 O ATOM 85 N SER 242 -16.813 34.026 56.560 1.00 50.93 N ATOM 86 CA SER 242 -17.769 33.282 57.345 1.00 50.93 C ATOM 87 CB SER 242 -19.225 33.732 57.124 1.00 50.93 C ATOM 88 OG SER 242 -19.395 35.074 57.554 1.00 50.93 O ATOM 89 C SER 242 -17.707 31.831 56.970 1.00 50.93 C ATOM 90 O SER 242 -17.413 31.483 55.828 1.00 50.93 O ATOM 91 N PHE 243 -18.001 30.939 57.944 1.00145.48 N ATOM 92 CA PHE 243 -17.912 29.521 57.710 1.00145.48 C ATOM 93 CB PHE 243 -16.747 28.860 58.465 1.00145.48 C ATOM 94 CG PHE 243 -15.478 29.370 57.882 1.00145.48 C ATOM 95 CD1 PHE 243 -14.924 30.543 58.335 1.00145.48 C ATOM 96 CD2 PHE 243 -14.849 28.678 56.872 1.00145.48 C ATOM 97 CE1 PHE 243 -13.753 31.019 57.798 1.00145.48 C ATOM 98 CE2 PHE 243 -13.676 29.149 56.330 1.00145.48 C ATOM 99 CZ PHE 243 -13.126 30.318 56.796 1.00145.48 C ATOM 100 C PHE 243 -19.146 28.840 58.206 1.00145.48 C ATOM 101 O PHE 243 -19.809 29.293 59.138 1.00145.48 O ATOM 102 N SER 244 -19.485 27.717 57.546 1.00 81.03 N ATOM 103 CA SER 244 -20.610 26.913 57.915 1.00 81.03 C ATOM 104 CB SER 244 -20.940 25.846 56.861 1.00 81.03 C ATOM 105 OG SER 244 -21.306 26.473 55.643 1.00 81.03 O ATOM 106 C SER 244 -20.293 26.186 59.183 1.00 81.03 C ATOM 107 O SER 244 -21.184 25.937 59.993 1.00 81.03 O ATOM 108 N CYS 245 -19.010 25.823 59.393 1.00 37.66 N ATOM 109 CA CYS 245 -18.701 25.017 60.540 1.00 37.66 C ATOM 110 CB CYS 245 -18.140 23.636 60.163 1.00 37.66 C ATOM 111 SG CYS 245 -19.348 22.637 59.245 1.00 37.66 S ATOM 112 C CYS 245 -17.681 25.688 61.407 1.00 37.66 C ATOM 113 O CYS 245 -16.771 26.363 60.931 1.00 37.66 O ATOM 114 N SER 246 -17.829 25.487 62.733 1.00 70.14 N ATOM 115 CA SER 246 -16.981 26.063 63.736 1.00 70.14 C ATOM 116 CB SER 246 -17.463 25.742 65.161 1.00 70.14 C ATOM 117 OG SER 246 -17.414 24.340 65.383 1.00 70.14 O ATOM 118 C SER 246 -15.596 25.518 63.607 1.00 70.14 C ATOM 119 O SER 246 -14.621 26.261 63.697 1.00 70.14 O ATOM 120 N SER 247 -15.474 24.200 63.368 1.00 60.37 N ATOM 121 CA SER 247 -14.184 23.574 63.326 1.00 60.37 C ATOM 122 CB SER 247 -14.271 22.058 63.063 1.00 60.37 C ATOM 123 OG SER 247 -12.969 21.490 63.032 1.00 60.37 O ATOM 124 C SER 247 -13.383 24.174 62.217 1.00 60.37 C ATOM 125 O SER 247 -12.201 24.463 62.387 1.00 60.37 O ATOM 126 N TYR 248 -14.016 24.384 61.050 1.00 54.38 N ATOM 127 CA TYR 248 -13.313 24.913 59.920 1.00 54.38 C ATOM 128 CB TYR 248 -14.089 24.791 58.605 1.00 54.38 C ATOM 129 CG TYR 248 -14.009 23.336 58.291 1.00 54.38 C ATOM 130 CD1 TYR 248 -14.901 22.445 58.840 1.00 54.38 C ATOM 131 CD2 TYR 248 -13.016 22.858 57.466 1.00 54.38 C ATOM 132 CE1 TYR 248 -14.814 21.103 58.559 1.00 54.38 C ATOM 133 CE2 TYR 248 -12.924 21.516 57.182 1.00 54.38 C ATOM 134 CZ TYR 248 -13.826 20.635 57.727 1.00 54.38 C ATOM 135 OH TYR 248 -13.732 19.256 57.437 1.00 54.38 O ATOM 136 C TYR 248 -12.877 26.317 60.180 1.00 54.38 C ATOM 137 O TYR 248 -11.791 26.715 59.763 1.00 54.38 O ATOM 138 N LEU 249 -13.707 27.119 60.870 1.00102.65 N ATOM 139 CA LEU 249 -13.309 28.471 61.126 1.00102.65 C ATOM 140 CB LEU 249 -14.379 29.255 61.919 1.00102.65 C ATOM 141 CG LEU 249 -14.204 30.791 61.983 1.00102.65 C ATOM 142 CD1 LEU 249 -15.254 31.410 62.919 1.00102.65 C ATOM 143 CD2 LEU 249 -12.773 31.236 62.324 1.00102.65 C ATOM 144 C LEU 249 -12.061 28.405 61.956 1.00102.65 C ATOM 145 O LEU 249 -11.107 29.144 61.720 1.00102.65 O ATOM 146 N ASN 250 -12.016 27.479 62.935 1.00 33.53 N ATOM 147 CA ASN 250 -10.894 27.400 63.828 1.00 33.53 C ATOM 148 CB ASN 250 -11.016 26.248 64.839 1.00 33.53 C ATOM 149 CG ASN 250 -12.097 26.622 65.840 1.00 33.53 C ATOM 150 OD1 ASN 250 -12.033 27.674 66.473 1.00 33.53 O ATOM 151 ND2 ASN 250 -13.122 25.740 65.984 1.00 33.53 N ATOM 152 C ASN 250 -9.642 27.172 63.043 1.00 33.53 C ATOM 153 O ASN 250 -8.634 27.839 63.269 1.00 33.53 O ATOM 154 N HIS 251 -9.669 26.229 62.085 1.00 91.63 N ATOM 155 CA HIS 251 -8.486 25.975 61.316 1.00 91.63 C ATOM 156 ND1 HIS 251 -9.415 22.779 61.771 1.00 91.63 N ATOM 157 CG HIS 251 -8.416 23.463 61.115 1.00 91.63 C ATOM 158 CB HIS 251 -8.604 24.760 60.381 1.00 91.63 C ATOM 159 NE2 HIS 251 -7.547 21.607 62.061 1.00 91.63 N ATOM 160 CD2 HIS 251 -7.282 22.731 61.302 1.00 91.63 C ATOM 161 CE1 HIS 251 -8.840 21.678 62.319 1.00 91.63 C ATOM 162 C HIS 251 -8.174 27.192 60.508 1.00 91.63 C ATOM 163 O HIS 251 -7.008 27.536 60.317 1.00 91.63 O ATOM 164 N HIS 252 -9.218 27.890 60.025 1.00 43.53 N ATOM 165 CA HIS 252 -9.013 29.055 59.220 1.00 43.53 C ATOM 166 ND1 HIS 252 -9.833 31.104 56.734 1.00 43.53 N ATOM 167 CG HIS 252 -10.126 31.034 58.078 1.00 43.53 C ATOM 168 CB HIS 252 -10.327 29.758 58.841 1.00 43.53 C ATOM 169 NE2 HIS 252 -9.938 33.201 57.471 1.00 43.53 N ATOM 170 CD2 HIS 252 -10.185 32.324 58.512 1.00 43.53 C ATOM 171 CE1 HIS 252 -9.732 32.422 56.424 1.00 43.53 C ATOM 172 C HIS 252 -8.212 30.027 60.015 1.00 43.53 C ATOM 173 O HIS 252 -7.252 30.606 59.508 1.00 43.53 O ATOM 174 N MET 253 -8.572 30.227 61.295 1.00 17.98 N ATOM 175 CA MET 253 -7.816 31.160 62.074 1.00 17.98 C ATOM 176 CB MET 253 -8.289 31.300 63.530 1.00 17.98 C ATOM 177 CG MET 253 -9.653 31.974 63.685 1.00 17.98 C ATOM 178 SD MET 253 -10.128 32.278 65.415 1.00 17.98 S ATOM 179 CE MET 253 -10.427 30.532 65.813 1.00 17.98 C ATOM 180 C MET 253 -6.370 30.688 62.124 1.00 17.98 C ATOM 181 O MET 253 -5.525 31.476 62.630 1.00 17.98 O ATOM 182 OXT MET 253 -6.082 29.549 61.671 1.00 17.98 O