EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 11:58:47 REMARK 6 MODELLER OBJECTIVE FUNCTION: 115.4463 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 30.435 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1392.63208 REMARK 6 GA341 score: 0.84713 REMARK 6 Normalized DOPE score: -0.04981 REMARK 6 TEMPLATE: 2i13A02 75:A - 97:A MODELS 1: - 23: AT 30.4% ATOM 1 N GLU 238 1.300 20.165 48.269 1.00 76.53 N ATOM 2 CA GLU 238 1.401 20.300 49.741 1.00 76.53 C ATOM 3 CB GLU 238 2.718 21.007 50.110 1.00 76.53 C ATOM 4 CG GLU 238 3.970 20.236 49.675 1.00 76.53 C ATOM 5 CD GLU 238 5.202 20.988 50.168 1.00 76.53 C ATOM 6 OE1 GLU 238 5.531 22.066 49.603 1.00 76.53 O ATOM 7 OE2 GLU 238 5.842 20.477 51.130 1.00 76.53 O ATOM 8 C GLU 238 0.244 21.123 50.202 1.00 76.53 C ATOM 9 O GLU 238 -0.680 21.356 49.429 1.00 76.53 O ATOM 10 N ASN 239 0.259 21.589 51.470 1.00 85.80 N ATOM 11 CA ASN 239 -0.817 22.415 51.950 1.00 85.80 C ATOM 12 CB ASN 239 -0.908 23.736 51.175 1.00 85.80 C ATOM 13 CG ASN 239 0.429 24.441 51.304 1.00 85.80 C ATOM 14 OD1 ASN 239 0.985 24.545 52.396 1.00 85.80 O ATOM 15 ND2 ASN 239 0.966 24.923 50.152 1.00 85.80 N ATOM 16 C ASN 239 -2.115 21.703 51.723 1.00 85.80 C ATOM 17 O ASN 239 -3.032 22.249 51.115 1.00 85.80 O ATOM 18 N THR 240 -2.231 20.458 52.210 1.00 59.85 N ATOM 19 CA THR 240 -3.390 19.643 51.974 1.00 59.85 C ATOM 20 CB THR 240 -3.194 18.240 52.470 1.00 59.85 C ATOM 21 OG1 THR 240 -2.072 17.644 51.832 1.00 59.85 O ATOM 22 CG2 THR 240 -4.447 17.421 52.136 1.00 59.85 C ATOM 23 C THR 240 -4.642 20.215 52.598 1.00 59.85 C ATOM 24 O THR 240 -5.719 20.118 52.006 1.00 59.85 O ATOM 25 N TYR 241 -4.561 20.827 53.802 1.00 79.02 N ATOM 26 CA TYR 241 -5.756 21.269 54.482 1.00 79.02 C ATOM 27 CB TYR 241 -5.710 21.044 56.003 1.00 79.02 C ATOM 28 CG TYR 241 -5.886 19.581 56.164 1.00 79.02 C ATOM 29 CD1 TYR 241 -7.149 19.045 56.272 1.00 79.02 C ATOM 30 CD2 TYR 241 -4.799 18.743 56.182 1.00 79.02 C ATOM 31 CE1 TYR 241 -7.335 17.691 56.411 1.00 79.02 C ATOM 32 CE2 TYR 241 -4.979 17.387 56.320 1.00 79.02 C ATOM 33 CZ TYR 241 -6.242 16.863 56.436 1.00 79.02 C ATOM 34 OH TYR 241 -6.413 15.468 56.576 1.00 79.02 O ATOM 35 C TYR 241 -6.047 22.717 54.251 1.00 79.02 C ATOM 36 O TYR 241 -5.188 23.581 54.415 1.00 79.02 O ATOM 37 N GLU 242 -7.313 23.003 53.873 1.00 48.39 N ATOM 38 CA GLU 242 -7.766 24.331 53.572 1.00 48.39 C ATOM 39 CB GLU 242 -8.426 24.393 52.180 1.00 48.39 C ATOM 40 CG GLU 242 -8.768 25.808 51.716 1.00 48.39 C ATOM 41 CD GLU 242 -9.052 25.778 50.218 1.00 48.39 C ATOM 42 OE1 GLU 242 -9.651 24.782 49.737 1.00 48.39 O ATOM 43 OE2 GLU 242 -8.672 26.767 49.532 1.00 48.39 O ATOM 44 C GLU 242 -8.796 24.719 54.600 1.00 48.39 C ATOM 45 O GLU 242 -9.683 23.934 54.927 1.00 48.39 O ATOM 46 N CYS 243 -8.677 25.944 55.160 1.00 51.99 N ATOM 47 CA CYS 243 -9.615 26.446 56.131 1.00 51.99 C ATOM 48 CB CYS 243 -9.034 27.569 57.005 1.00 51.99 C ATOM 49 SG CYS 243 -10.232 28.259 58.186 1.00 51.99 S ATOM 50 C CYS 243 -10.774 27.014 55.383 1.00 51.99 C ATOM 51 O CYS 243 -10.613 27.772 54.429 1.00 51.99 O ATOM 52 N SER 244 -11.992 26.668 55.822 1.00 88.73 N ATOM 53 CA SER 244 -13.137 27.117 55.104 1.00 88.73 C ATOM 54 CB SER 244 -14.451 26.537 55.662 1.00 88.73 C ATOM 55 OG SER 244 -14.508 25.135 55.430 1.00 88.73 O ATOM 56 C SER 244 -13.232 28.617 55.113 1.00 88.73 C ATOM 57 O SER 244 -13.295 29.232 54.048 1.00 88.73 O ATOM 58 N HIS 245 -13.278 29.258 56.299 1.00144.85 N ATOM 59 CA HIS 245 -13.502 30.682 56.283 1.00144.85 C ATOM 60 ND1 HIS 245 -12.844 32.120 59.517 1.00144.85 N ATOM 61 CG HIS 245 -13.406 31.058 58.848 1.00144.85 C ATOM 62 CB HIS 245 -14.167 31.217 57.571 1.00144.85 C ATOM 63 NE2 HIS 245 -12.389 30.301 60.710 1.00144.85 N ATOM 64 CD2 HIS 245 -13.122 29.955 59.591 1.00144.85 C ATOM 65 CE1 HIS 245 -12.247 31.611 60.624 1.00144.85 C ATOM 66 C HIS 245 -12.307 31.506 55.881 1.00144.85 C ATOM 67 O HIS 245 -12.420 32.417 55.059 1.00144.85 O ATOM 68 N CYS 246 -11.131 31.222 56.466 1.00 92.72 N ATOM 69 CA CYS 246 -9.936 31.977 56.208 1.00 92.72 C ATOM 70 CB CYS 246 -8.839 31.679 57.229 1.00 92.72 C ATOM 71 SG CYS 246 -7.327 32.588 56.831 1.00 92.72 S ATOM 72 C CYS 246 -9.357 31.703 54.847 1.00 92.72 C ATOM 73 O CYS 246 -8.841 32.608 54.189 1.00 92.72 O ATOM 74 N ASN 247 -9.444 30.437 54.399 1.00 69.62 N ATOM 75 CA ASN 247 -8.889 29.972 53.159 1.00 69.62 C ATOM 76 CB ASN 247 -9.252 30.870 51.968 1.00 69.62 C ATOM 77 CG ASN 247 -10.744 30.655 51.794 1.00 69.62 C ATOM 78 OD1 ASN 247 -11.275 29.653 52.267 1.00 69.62 O ATOM 79 ND2 ASN 247 -11.444 31.606 51.122 1.00 69.62 N ATOM 80 C ASN 247 -7.401 29.847 53.262 1.00 69.62 C ATOM 81 O ASN 247 -6.714 29.693 52.253 1.00 69.62 O ATOM 82 N SER 248 -6.855 29.867 54.490 1.00 87.95 N ATOM 83 CA SER 248 -5.445 29.635 54.588 1.00 87.95 C ATOM 84 CB SER 248 -4.822 30.171 55.886 1.00 87.95 C ATOM 85 OG SER 248 -3.415 29.993 55.853 1.00 87.95 O ATOM 86 C SER 248 -5.258 28.149 54.554 1.00 87.95 C ATOM 87 O SER 248 -6.128 27.397 54.992 1.00 87.95 O ATOM 88 N THR 249 -4.099 27.674 54.049 1.00119.79 N ATOM 89 CA THR 249 -3.882 26.257 53.938 1.00119.79 C ATOM 90 CB THR 249 -3.326 25.850 52.604 1.00119.79 C ATOM 91 OG1 THR 249 -3.285 24.434 52.476 1.00119.79 O ATOM 92 CG2 THR 249 -1.910 26.442 52.491 1.00119.79 C ATOM 93 C THR 249 -2.867 25.863 54.959 1.00119.79 C ATOM 94 O THR 249 -2.070 26.683 55.410 1.00119.79 O ATOM 95 N PHE 250 -2.889 24.583 55.377 1.00145.78 N ATOM 96 CA PHE 250 -1.936 24.125 56.347 1.00145.78 C ATOM 97 CB PHE 250 -2.538 23.850 57.733 1.00145.78 C ATOM 98 CG PHE 250 -2.826 25.151 58.385 1.00145.78 C ATOM 99 CD1 PHE 250 -4.005 25.808 58.127 1.00145.78 C ATOM 100 CD2 PHE 250 -1.916 25.717 59.248 1.00145.78 C ATOM 101 CE1 PHE 250 -4.275 27.016 58.723 1.00145.78 C ATOM 102 CE2 PHE 250 -2.184 26.926 59.846 1.00145.78 C ATOM 103 CZ PHE 250 -3.367 27.575 59.589 1.00145.78 C ATOM 104 C PHE 250 -1.389 22.829 55.878 1.00145.78 C ATOM 105 O PHE 250 -2.085 22.024 55.261 1.00145.78 O ATOM 106 N ILE 251 -0.091 22.615 56.128 1.00104.74 N ATOM 107 CA ILE 251 0.498 21.362 55.792 1.00104.74 C ATOM 108 CB ILE 251 1.998 21.397 55.801 1.00104.74 C ATOM 109 CG1 ILE 251 2.538 20.049 55.277 1.00104.74 C ATOM 110 CG2 ILE 251 2.464 21.848 57.194 1.00104.74 C ATOM 111 CD1 ILE 251 4.000 20.053 54.824 1.00104.74 C ATOM 112 C ILE 251 -0.041 20.302 56.712 1.00104.74 C ATOM 113 O ILE 251 -0.293 19.184 56.271 1.00104.74 O ATOM 114 N LEU 252 -0.240 20.603 58.018 1.00 96.26 N ATOM 115 CA LEU 252 -0.687 19.552 58.900 1.00 96.26 C ATOM 116 CB LEU 252 0.119 19.398 60.202 1.00 96.26 C ATOM 117 CG LEU 252 1.515 18.776 59.995 1.00 96.26 C ATOM 118 CD1 LEU 252 2.447 19.711 59.218 1.00 96.26 C ATOM 119 CD2 LEU 252 2.119 18.300 61.323 1.00 96.26 C ATOM 120 C LEU 252 -2.131 19.681 59.289 1.00 96.26 C ATOM 121 O LEU 252 -2.679 20.771 59.439 1.00 96.26 O ATOM 122 N ALA 253 -2.773 18.507 59.454 1.00 39.78 N ATOM 123 CA ALA 253 -4.160 18.362 59.801 1.00 39.78 C ATOM 124 CB ALA 253 -4.579 16.883 59.849 1.00 39.78 C ATOM 125 C ALA 253 -4.421 18.916 61.168 1.00 39.78 C ATOM 126 O ALA 253 -5.377 19.658 61.385 1.00 39.78 O ATOM 127 N GLY 254 -3.558 18.577 62.136 1.00 21.45 N ATOM 128 CA GLY 254 -3.801 18.982 63.490 1.00 21.45 C ATOM 129 C GLY 254 -3.751 20.469 63.592 1.00 21.45 C ATOM 130 O GLY 254 -4.492 21.069 64.373 1.00 21.45 O ATOM 131 N THR 255 -2.833 21.093 62.828 1.00 32.90 N ATOM 132 CA THR 255 -2.637 22.509 62.892 1.00 32.90 C ATOM 133 CB THR 255 -1.476 23.004 62.071 1.00 32.90 C ATOM 134 OG1 THR 255 -0.287 22.340 62.468 1.00 32.90 O ATOM 135 CG2 THR 255 -1.300 24.511 62.328 1.00 32.90 C ATOM 136 C THR 255 -3.871 23.185 62.395 1.00 32.90 C ATOM 137 O THR 255 -4.271 24.209 62.931 1.00 32.90 O ATOM 138 N LEU 256 -4.500 22.623 61.347 1.00105.05 N ATOM 139 CA LEU 256 -5.684 23.214 60.796 1.00105.05 C ATOM 140 CB LEU 256 -6.187 22.431 59.570 1.00105.05 C ATOM 141 CG LEU 256 -7.467 22.975 58.895 1.00105.05 C ATOM 142 CD1 LEU 256 -8.736 22.699 59.717 1.00105.05 C ATOM 143 CD2 LEU 256 -7.309 24.456 58.520 1.00105.05 C ATOM 144 C LEU 256 -6.761 23.192 61.831 1.00105.05 C ATOM 145 O LEU 256 -7.470 24.179 62.018 1.00105.05 O ATOM 146 N LYS 257 -6.908 22.056 62.540 1.00 80.49 N ATOM 147 CA LYS 257 -7.964 21.948 63.501 1.00 80.49 C ATOM 148 CB LYS 257 -7.994 20.593 64.223 1.00 80.49 C ATOM 149 CG LYS 257 -9.138 20.496 65.231 1.00 80.49 C ATOM 150 CD LYS 257 -9.333 19.098 65.824 1.00 80.49 C ATOM 151 CE LYS 257 -10.709 18.490 65.551 1.00 80.49 C ATOM 152 NZ LYS 257 -10.900 17.285 66.390 1.00 80.49 N ATOM 153 C LYS 257 -7.727 22.998 64.533 1.00 80.49 C ATOM 154 O LYS 257 -8.649 23.673 64.985 1.00 80.49 O ATOM 155 N HIS 258 -6.451 23.163 64.911 1.00 64.09 N ATOM 156 CA HIS 258 -6.029 24.137 65.872 1.00 64.09 C ATOM 157 ND1 HIS 258 -4.399 25.590 68.150 1.00 64.09 N ATOM 158 CG HIS 258 -3.979 25.238 66.887 1.00 64.09 C ATOM 159 CB HIS 258 -4.510 24.074 66.103 1.00 64.09 C ATOM 160 NE2 HIS 258 -2.868 27.086 67.544 1.00 64.09 N ATOM 161 CD2 HIS 258 -3.043 26.159 66.534 1.00 64.09 C ATOM 162 CE1 HIS 258 -3.703 26.705 68.494 1.00 64.09 C ATOM 163 C HIS 258 -6.340 25.487 65.330 1.00 64.09 C ATOM 164 O HIS 258 -6.734 26.397 66.062 1.00 64.09 O ATOM 165 N HIS 259 -6.171 25.642 64.013 1.00 65.09 N ATOM 166 CA HIS 259 -6.347 26.912 63.403 1.00 65.09 C ATOM 167 ND1 HIS 259 -5.289 29.261 62.263 1.00 65.09 N ATOM 168 CG HIS 259 -5.887 28.312 61.467 1.00 65.09 C ATOM 169 CB HIS 259 -6.036 26.901 61.906 1.00 65.09 C ATOM 170 NE2 HIS 259 -5.882 30.285 60.384 1.00 65.09 N ATOM 171 CD2 HIS 259 -6.247 28.951 60.323 1.00 65.09 C ATOM 172 CE1 HIS 259 -5.313 30.423 61.568 1.00 65.09 C ATOM 173 C HIS 259 -7.759 27.345 63.586 1.00 65.09 C ATOM 174 O HIS 259 -8.013 28.506 63.911 1.00 65.09 O ATOM 175 N LYS 260 -8.723 26.429 63.396 1.00 95.33 N ATOM 176 CA LYS 260 -10.077 26.850 63.562 1.00 95.33 C ATOM 177 CB LYS 260 -11.123 25.811 63.117 1.00 95.33 C ATOM 178 CG LYS 260 -11.338 24.674 64.114 1.00 95.33 C ATOM 179 CD LYS 260 -12.588 23.852 63.789 1.00 95.33 C ATOM 180 CE LYS 260 -12.283 22.424 63.338 1.00 95.33 C ATOM 181 NZ LYS 260 -12.966 22.133 62.057 1.00 95.33 N ATOM 182 C LYS 260 -10.274 27.080 65.056 1.00 95.33 C ATOM 183 O LYS 260 -11.389 27.529 65.431 1.00 95.33 O ATOM 184 OXT LYS 260 -9.324 26.811 65.840 1.00 95.33 O