EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:13:47 REMARK 6 MODELLER OBJECTIVE FUNCTION: 81.4008 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 54.545 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1293.96924 REMARK 6 GA341 score: 0.91657 REMARK 6 Normalized DOPE score: -0.80409 REMARK 6 TEMPLATE: 2i13A02 75:A - 96:A MODELS 1: - 22: AT 54.5% ATOM 1 N GLY 238 2.223 31.951 39.541 1.00 14.39 N ATOM 2 CA GLY 238 2.119 33.327 40.073 1.00 14.39 C ATOM 3 C GLY 238 2.318 33.330 41.549 1.00 14.39 C ATOM 4 O GLY 238 3.312 32.810 42.054 1.00 14.39 O ATOM 5 N LYS 239 1.365 33.941 42.278 1.00 66.88 N ATOM 6 CA LYS 239 1.447 34.009 43.706 1.00 66.88 C ATOM 7 CB LYS 239 1.114 35.420 44.209 1.00 66.88 C ATOM 8 CG LYS 239 1.997 36.499 43.571 1.00 66.88 C ATOM 9 CD LYS 239 1.388 37.901 43.637 1.00 66.88 C ATOM 10 CE LYS 239 2.154 38.959 42.838 1.00 66.88 C ATOM 11 NZ LYS 239 1.311 40.162 42.656 1.00 66.88 N ATOM 12 C LYS 239 0.380 33.088 44.203 1.00 66.88 C ATOM 13 O LYS 239 -0.762 33.482 44.425 1.00 66.88 O ATOM 14 N PRO 240 0.761 31.857 44.384 1.00114.62 N ATOM 15 CA PRO 240 -0.109 30.775 44.747 1.00114.62 C ATOM 16 CD PRO 240 2.147 31.452 44.241 1.00114.62 C ATOM 17 CB PRO 240 0.784 29.526 44.778 1.00114.62 C ATOM 18 CG PRO 240 2.074 29.934 44.040 1.00114.62 C ATOM 19 C PRO 240 -0.830 30.930 46.053 1.00114.62 C ATOM 20 O PRO 240 -1.985 30.514 46.135 1.00114.62 O ATOM 21 N TYR 241 -0.200 31.511 47.093 1.00 71.62 N ATOM 22 CA TYR 241 -0.898 31.468 48.343 1.00 71.62 C ATOM 23 CB TYR 241 -0.146 30.689 49.439 1.00 71.62 C ATOM 24 CG TYR 241 -0.239 29.256 49.025 1.00 71.62 C ATOM 25 CD1 TYR 241 -1.387 28.540 49.276 1.00 71.62 C ATOM 26 CD2 TYR 241 0.802 28.624 48.384 1.00 71.62 C ATOM 27 CE1 TYR 241 -1.502 27.223 48.901 1.00 71.62 C ATOM 28 CE2 TYR 241 0.695 27.305 48.003 1.00 71.62 C ATOM 29 CZ TYR 241 -0.459 26.605 48.259 1.00 71.62 C ATOM 30 OH TYR 241 -0.574 25.255 47.871 1.00 71.62 O ATOM 31 C TYR 241 -1.256 32.832 48.815 1.00 71.62 C ATOM 32 O TYR 241 -0.442 33.756 48.816 1.00 71.62 O ATOM 33 N SER 242 -2.529 32.979 49.235 1.00 74.56 N ATOM 34 CA SER 242 -3.020 34.256 49.646 1.00 74.56 C ATOM 35 CB SER 242 -4.286 34.694 48.886 1.00 74.56 C ATOM 36 OG SER 242 -4.731 35.961 49.351 1.00 74.56 O ATOM 37 C SER 242 -3.364 34.217 51.098 1.00 74.56 C ATOM 38 O SER 242 -3.848 33.214 51.620 1.00 74.56 O ATOM 39 N CYS 243 -3.079 35.335 51.791 1.00 42.90 N ATOM 40 CA CYS 243 -3.380 35.475 53.187 1.00 42.90 C ATOM 41 CB CYS 243 -2.590 36.618 53.851 1.00 42.90 C ATOM 42 SG CYS 243 -2.973 36.828 55.616 1.00 42.90 S ATOM 43 C CYS 243 -4.840 35.769 53.305 1.00 42.90 C ATOM 44 O CYS 243 -5.364 36.646 52.625 1.00 42.90 O ATOM 45 N PHE 244 -5.551 35.038 54.184 1.00141.01 N ATOM 46 CA PHE 244 -6.963 35.251 54.267 1.00141.01 C ATOM 47 CB PHE 244 -7.709 34.235 55.148 1.00141.01 C ATOM 48 CG PHE 244 -9.149 34.417 54.817 1.00141.01 C ATOM 49 CD1 PHE 244 -9.680 33.800 53.705 1.00141.01 C ATOM 50 CD2 PHE 244 -9.963 35.198 55.600 1.00141.01 C ATOM 51 CE1 PHE 244 -11.004 33.965 53.376 1.00141.01 C ATOM 52 CE2 PHE 244 -11.289 35.365 55.275 1.00141.01 C ATOM 53 CZ PHE 244 -11.810 34.749 54.164 1.00141.01 C ATOM 54 C PHE 244 -7.233 36.618 54.816 1.00141.01 C ATOM 55 O PHE 244 -8.177 37.284 54.392 1.00141.01 O ATOM 56 N GLN 245 -6.437 37.056 55.810 1.00 97.19 N ATOM 57 CA GLN 245 -6.737 38.308 56.446 1.00 97.19 C ATOM 58 CB GLN 245 -5.857 38.516 57.695 1.00 97.19 C ATOM 59 CG GLN 245 -6.156 39.783 58.502 1.00 97.19 C ATOM 60 CD GLN 245 -5.442 40.957 57.850 1.00 97.19 C ATOM 61 OE1 GLN 245 -4.296 40.838 57.421 1.00 97.19 O ATOM 62 NE2 GLN 245 -6.139 42.124 57.772 1.00 97.19 N ATOM 63 C GLN 245 -6.568 39.500 55.534 1.00 97.19 C ATOM 64 O GLN 245 -7.530 40.229 55.293 1.00 97.19 O ATOM 65 N CYS 246 -5.338 39.735 55.021 1.00 64.87 N ATOM 66 CA CYS 246 -5.024 40.863 54.176 1.00 64.87 C ATOM 67 CB CYS 246 -3.524 41.213 54.197 1.00 64.87 C ATOM 68 SG CYS 246 -2.459 39.853 53.635 1.00 64.87 S ATOM 69 C CYS 246 -5.468 40.678 52.750 1.00 64.87 C ATOM 70 O CYS 246 -5.967 41.611 52.122 1.00 64.87 O ATOM 71 N GLY 247 -5.303 39.459 52.195 1.00 29.11 N ATOM 72 CA GLY 247 -5.637 39.207 50.821 1.00 29.11 C ATOM 73 C GLY 247 -4.394 39.297 49.973 1.00 29.11 C ATOM 74 O GLY 247 -4.457 39.134 48.757 1.00 29.11 O ATOM 75 N LYS 248 -3.226 39.552 50.596 1.00 55.91 N ATOM 76 CA LYS 248 -1.987 39.658 49.869 1.00 55.91 C ATOM 77 CB LYS 248 -0.855 40.227 50.744 1.00 55.91 C ATOM 78 CG LYS 248 0.421 40.617 49.992 1.00 55.91 C ATOM 79 CD LYS 248 1.368 41.463 50.840 1.00 55.91 C ATOM 80 CE LYS 248 2.662 41.857 50.120 1.00 55.91 C ATOM 81 NZ LYS 248 3.461 42.753 50.984 1.00 55.91 N ATOM 82 C LYS 248 -1.582 38.284 49.422 1.00 55.91 C ATOM 83 O LYS 248 -1.773 37.312 50.151 1.00 55.91 O ATOM 84 N SER 249 -0.997 38.164 48.207 1.00 51.41 N ATOM 85 CA SER 249 -0.624 36.865 47.707 1.00 51.41 C ATOM 86 CB SER 249 -1.118 36.584 46.276 1.00 51.41 C ATOM 87 OG SER 249 -2.538 36.535 46.246 1.00 51.41 O ATOM 88 C SER 249 0.871 36.767 47.692 1.00 51.41 C ATOM 89 O SER 249 1.567 37.769 47.527 1.00 51.41 O ATOM 90 N TYR 250 1.402 35.535 47.868 1.00150.31 N ATOM 91 CA TYR 250 2.823 35.382 47.980 1.00150.31 C ATOM 92 CB TYR 250 3.257 34.988 49.405 1.00150.31 C ATOM 93 CG TYR 250 2.637 35.964 50.352 1.00150.31 C ATOM 94 CD1 TYR 250 1.385 35.722 50.869 1.00150.31 C ATOM 95 CD2 TYR 250 3.279 37.124 50.720 1.00150.31 C ATOM 96 CE1 TYR 250 0.798 36.615 51.738 1.00150.31 C ATOM 97 CE2 TYR 250 2.693 38.015 51.588 1.00150.31 C ATOM 98 CZ TYR 250 1.449 37.763 52.106 1.00150.31 C ATOM 99 OH TYR 250 0.846 38.676 52.996 1.00150.31 O ATOM 100 C TYR 250 3.290 34.285 47.068 1.00150.31 C ATOM 101 O TYR 250 2.559 33.352 46.737 1.00150.31 O ATOM 102 N LYS 251 4.550 34.417 46.616 1.00 81.05 N ATOM 103 CA LYS 251 5.224 33.485 45.761 1.00 81.05 C ATOM 104 CB LYS 251 6.598 34.019 45.334 1.00 81.05 C ATOM 105 CG LYS 251 7.385 33.089 44.415 1.00 81.05 C ATOM 106 CD LYS 251 8.634 33.759 43.847 1.00 81.05 C ATOM 107 CE LYS 251 9.514 32.840 43.009 1.00 81.05 C ATOM 108 NZ LYS 251 10.684 33.600 42.522 1.00 81.05 N ATOM 109 C LYS 251 5.465 32.211 46.512 1.00 81.05 C ATOM 110 O LYS 251 5.329 31.123 45.954 1.00 81.05 O ATOM 111 N HIS 252 5.831 32.315 47.808 1.00 71.96 N ATOM 112 CA HIS 252 6.185 31.135 48.548 1.00 71.96 C ATOM 113 ND1 HIS 252 9.957 31.676 48.318 1.00 71.96 N ATOM 114 CG HIS 252 8.721 31.099 48.120 1.00 71.96 C ATOM 115 CB HIS 252 7.610 31.171 49.126 1.00 71.96 C ATOM 116 NE2 HIS 252 10.048 30.634 46.356 1.00 71.96 N ATOM 117 CD2 HIS 252 8.795 30.467 46.917 1.00 71.96 C ATOM 118 CE1 HIS 252 10.709 31.367 47.232 1.00 71.96 C ATOM 119 C HIS 252 5.297 30.981 49.745 1.00 71.96 C ATOM 120 O HIS 252 4.831 31.952 50.338 1.00 71.96 O ATOM 121 N ASN 253 5.059 29.712 50.131 1.00 74.37 N ATOM 122 CA ASN 253 4.258 29.375 51.270 1.00 74.37 C ATOM 123 CB ASN 253 4.014 27.860 51.385 1.00 74.37 C ATOM 124 CG ASN 253 3.123 27.590 52.591 1.00 74.37 C ATOM 125 OD1 ASN 253 3.596 27.186 53.652 1.00 74.37 O ATOM 126 ND2 ASN 253 1.795 27.833 52.429 1.00 74.37 N ATOM 127 C ASN 253 4.964 29.848 52.507 1.00 74.37 C ATOM 128 O ASN 253 4.333 30.333 53.445 1.00 74.37 O ATOM 129 N GLY 254 6.306 29.722 52.535 1.00 19.07 N ATOM 130 CA GLY 254 7.074 30.107 53.686 1.00 19.07 C ATOM 131 C GLY 254 6.905 31.576 53.924 1.00 19.07 C ATOM 132 O GLY 254 6.824 32.015 55.069 1.00 19.07 O ATOM 133 N ASN 255 6.875 32.379 52.842 1.00 31.85 N ATOM 134 CA ASN 255 6.743 33.803 52.970 1.00 31.85 C ATOM 135 CB ASN 255 6.850 34.539 51.622 1.00 31.85 C ATOM 136 CG ASN 255 8.291 34.444 51.138 1.00 31.85 C ATOM 137 OD1 ASN 255 9.202 34.140 51.908 1.00 31.85 O ATOM 138 ND2 ASN 255 8.509 34.726 49.826 1.00 31.85 N ATOM 139 C ASN 255 5.400 34.123 53.555 1.00 31.85 C ATOM 140 O ASN 255 5.282 35.006 54.405 1.00 31.85 O ATOM 141 N LEU 256 4.350 33.399 53.120 1.00101.28 N ATOM 142 CA LEU 256 3.013 33.621 53.594 1.00101.28 C ATOM 143 CB LEU 256 2.013 32.649 52.934 1.00101.28 C ATOM 144 CG LEU 256 0.542 32.779 53.381 1.00101.28 C ATOM 145 CD1 LEU 256 0.318 32.220 54.794 1.00101.28 C ATOM 146 CD2 LEU 256 0.033 34.215 53.247 1.00101.28 C ATOM 147 C LEU 256 3.022 33.358 55.060 1.00101.28 C ATOM 148 O LEU 256 2.420 34.094 55.841 1.00101.28 O ATOM 149 N LYS 257 3.741 32.298 55.462 1.00 91.39 N ATOM 150 CA LYS 257 3.814 31.891 56.831 1.00 91.39 C ATOM 151 CB LYS 257 4.767 30.692 56.990 1.00 91.39 C ATOM 152 CG LYS 257 4.705 29.951 58.327 1.00 91.39 C ATOM 153 CD LYS 257 5.436 28.604 58.281 1.00 91.39 C ATOM 154 CE LYS 257 5.408 27.825 59.598 1.00 91.39 C ATOM 155 NZ LYS 257 6.230 28.511 60.620 1.00 91.39 N ATOM 156 C LYS 257 4.388 33.029 57.614 1.00 91.39 C ATOM 157 O LYS 257 3.848 33.411 58.650 1.00 91.39 O ATOM 158 N ALA 258 5.489 33.621 57.117 1.00 21.80 N ATOM 159 CA ALA 258 6.126 34.684 57.834 1.00 21.80 C ATOM 160 CB ALA 258 7.413 35.175 57.148 1.00 21.80 C ATOM 161 C ALA 258 5.179 35.839 57.931 1.00 21.80 C ATOM 162 O ALA 258 5.058 36.451 58.992 1.00 21.80 O ATOM 163 N HIS 259 4.473 36.165 56.829 1.00 31.54 N ATOM 164 CA HIS 259 3.590 37.294 56.891 1.00 31.54 C ATOM 165 ND1 HIS 259 2.618 40.126 55.441 1.00 31.54 N ATOM 166 CG HIS 259 2.056 38.879 55.609 1.00 31.54 C ATOM 167 CB HIS 259 2.841 37.596 55.574 1.00 31.54 C ATOM 168 NE2 HIS 259 0.436 40.447 55.732 1.00 31.54 N ATOM 169 CD2 HIS 259 0.723 39.094 55.786 1.00 31.54 C ATOM 170 CE1 HIS 259 1.606 41.027 55.524 1.00 31.54 C ATOM 171 C HIS 259 2.555 36.990 57.964 1.00 31.54 C ATOM 172 O HIS 259 1.853 37.940 58.397 1.00 31.54 O ATOM 173 OXT HIS 259 2.457 35.799 58.370 1.00 31.54 O