EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:15:03 REMARK 6 MODELLER OBJECTIVE FUNCTION: 114.8081 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 51.724 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1823.05762 REMARK 6 GA341 score: 0.99790 REMARK 6 Normalized DOPE score: -1.13155 REMARK 6 TEMPLATE: 2i13A02 75:A - 103:A MODELS 1: - 29: AT 51.7% ATOM 1 N GLU 242 -11.204 27.841 48.555 1.00 68.39 N ATOM 2 CA GLU 242 -11.942 28.157 49.798 1.00 68.39 C ATOM 3 CB GLU 242 -13.420 27.751 49.660 1.00 68.39 C ATOM 4 CG GLU 242 -14.233 28.619 48.697 1.00 68.39 C ATOM 5 CD GLU 242 -15.575 27.926 48.469 1.00 68.39 C ATOM 6 OE1 GLU 242 -16.428 27.946 49.397 1.00 68.39 O ATOM 7 OE2 GLU 242 -15.762 27.362 47.357 1.00 68.39 O ATOM 8 C GLU 242 -11.380 27.389 50.942 1.00 68.39 C ATOM 9 O GLU 242 -10.996 26.229 50.798 1.00 68.39 O ATOM 10 N LYS 243 -11.293 28.038 52.116 1.00 89.90 N ATOM 11 CA LYS 243 -10.835 27.336 53.275 1.00 89.90 C ATOM 12 CB LYS 243 -9.435 27.799 53.722 1.00 89.90 C ATOM 13 CG LYS 243 -8.396 27.731 52.593 1.00 89.90 C ATOM 14 CD LYS 243 -7.084 28.466 52.892 1.00 89.90 C ATOM 15 CE LYS 243 -6.156 28.593 51.680 1.00 89.90 C ATOM 16 NZ LYS 243 -6.249 29.958 51.112 1.00 89.90 N ATOM 17 C LYS 243 -11.800 27.719 54.348 1.00 89.90 C ATOM 18 O LYS 243 -11.568 28.647 55.120 1.00 89.90 O ATOM 19 N PRO 244 -12.890 27.008 54.384 1.00121.44 N ATOM 20 CA PRO 244 -13.984 27.275 55.273 1.00121.44 C ATOM 21 CD PRO 244 -13.068 25.783 53.618 1.00121.44 C ATOM 22 CB PRO 244 -15.072 26.271 54.888 1.00121.44 C ATOM 23 CG PRO 244 -14.291 25.103 54.254 1.00121.44 C ATOM 24 C PRO 244 -13.654 27.191 56.733 1.00121.44 C ATOM 25 O PRO 244 -14.285 27.900 57.515 1.00121.44 O ATOM 26 N PHE 245 -12.694 26.343 57.144 1.00125.54 N ATOM 27 CA PHE 245 -12.503 26.171 58.557 1.00125.54 C ATOM 28 CB PHE 245 -12.395 24.688 58.955 1.00125.54 C ATOM 29 CG PHE 245 -13.774 24.168 58.753 1.00125.54 C ATOM 30 CD1 PHE 245 -14.202 23.750 57.515 1.00125.54 C ATOM 31 CD2 PHE 245 -14.655 24.137 59.803 1.00125.54 C ATOM 32 CE1 PHE 245 -15.485 23.288 57.332 1.00125.54 C ATOM 33 CE2 PHE 245 -15.938 23.676 59.626 1.00125.54 C ATOM 34 CZ PHE 245 -16.359 23.247 58.391 1.00125.54 C ATOM 35 C PHE 245 -11.272 26.887 58.998 1.00125.54 C ATOM 36 O PHE 245 -10.170 26.583 58.545 1.00125.54 O ATOM 37 N ALA 246 -11.438 27.846 59.933 1.00 31.62 N ATOM 38 CA ALA 246 -10.320 28.622 60.378 1.00 31.62 C ATOM 39 CB ALA 246 -10.574 30.139 60.316 1.00 31.62 C ATOM 40 C ALA 246 -10.039 28.280 61.803 1.00 31.62 C ATOM 41 O ALA 246 -10.953 28.076 62.602 1.00 31.62 O ATOM 42 N CYS 247 -8.740 28.189 62.143 1.00 50.68 N ATOM 43 CA CYS 247 -8.327 27.894 63.482 1.00 50.68 C ATOM 44 CB CYS 247 -6.843 27.485 63.570 1.00 50.68 C ATOM 45 SG CYS 247 -6.299 27.144 65.270 1.00 50.68 S ATOM 46 C CYS 247 -8.524 29.134 64.293 1.00 50.68 C ATOM 47 O CYS 247 -8.066 30.218 63.929 1.00 50.68 O ATOM 48 N ALA 248 -9.207 29.006 65.441 1.00 35.51 N ATOM 49 CA ALA 248 -9.479 30.163 66.238 1.00 35.51 C ATOM 50 CB ALA 248 -10.318 29.829 67.483 1.00 35.51 C ATOM 51 C ALA 248 -8.193 30.766 66.712 1.00 35.51 C ATOM 52 O ALA 248 -8.036 31.985 66.688 1.00 35.51 O ATOM 53 N HIS 249 -7.242 29.937 67.188 1.00 74.34 N ATOM 54 CA HIS 249 -6.056 30.524 67.745 1.00 74.34 C ATOM 55 ND1 HIS 249 -2.841 30.469 68.445 1.00 74.34 N ATOM 56 CG HIS 249 -3.996 30.174 69.129 1.00 74.34 C ATOM 57 CB HIS 249 -5.189 29.515 68.513 1.00 74.34 C ATOM 58 NE2 HIS 249 -2.536 31.177 70.528 1.00 74.34 N ATOM 59 CD2 HIS 249 -3.792 30.614 70.403 1.00 74.34 C ATOM 60 CE1 HIS 249 -2.001 31.068 69.326 1.00 74.34 C ATOM 61 C HIS 249 -5.159 31.198 66.740 1.00 74.34 C ATOM 62 O HIS 249 -4.917 32.399 66.828 1.00 74.34 O ATOM 63 N CYS 250 -4.630 30.404 65.784 1.00112.14 N ATOM 64 CA CYS 250 -3.660 30.756 64.774 1.00112.14 C ATOM 65 CB CYS 250 -3.091 29.473 64.155 1.00112.14 C ATOM 66 SG CYS 250 -1.930 29.759 62.797 1.00112.14 S ATOM 67 C CYS 250 -4.213 31.582 63.658 1.00112.14 C ATOM 68 O CYS 250 -3.580 32.535 63.208 1.00112.14 O ATOM 69 N GLY 251 -5.408 31.221 63.162 1.00 31.81 N ATOM 70 CA GLY 251 -5.967 31.923 62.043 1.00 31.81 C ATOM 71 C GLY 251 -5.673 31.177 60.764 1.00 31.81 C ATOM 72 O GLY 251 -6.012 31.657 59.681 1.00 31.81 O ATOM 73 N LYS 252 -5.027 29.994 60.832 1.00 62.87 N ATOM 74 CA LYS 252 -4.766 29.245 59.630 1.00 62.87 C ATOM 75 CB LYS 252 -3.701 28.139 59.807 1.00 62.87 C ATOM 76 CG LYS 252 -3.304 27.419 58.512 1.00 62.87 C ATOM 77 CD LYS 252 -1.930 26.744 58.589 1.00 62.87 C ATOM 78 CE LYS 252 -1.418 26.210 57.245 1.00 62.87 C ATOM 79 NZ LYS 252 0.017 25.867 57.351 1.00 62.87 N ATOM 80 C LYS 252 -6.058 28.627 59.186 1.00 62.87 C ATOM 81 O LYS 252 -6.881 28.239 60.014 1.00 62.87 O ATOM 82 N SER 253 -6.267 28.519 57.854 1.00 51.98 N ATOM 83 CA SER 253 -7.524 28.025 57.357 1.00 51.98 C ATOM 84 CB SER 253 -8.183 28.994 56.367 1.00 51.98 C ATOM 85 OG SER 253 -8.474 30.219 57.024 1.00 51.98 O ATOM 86 C SER 253 -7.312 26.716 56.659 1.00 51.98 C ATOM 87 O SER 253 -6.241 26.454 56.111 1.00 51.98 O ATOM 88 N PHE 254 -8.344 25.846 56.680 1.00143.07 N ATOM 89 CA PHE 254 -8.202 24.541 56.100 1.00143.07 C ATOM 90 CB PHE 254 -8.142 23.417 57.147 1.00143.07 C ATOM 91 CG PHE 254 -6.916 23.620 57.960 1.00143.07 C ATOM 92 CD1 PHE 254 -6.938 24.447 59.058 1.00143.07 C ATOM 93 CD2 PHE 254 -5.745 22.989 57.610 1.00143.07 C ATOM 94 CE1 PHE 254 -5.797 24.629 59.802 1.00143.07 C ATOM 95 CE2 PHE 254 -4.605 23.172 58.355 1.00143.07 C ATOM 96 CZ PHE 254 -4.629 23.993 59.454 1.00143.07 C ATOM 97 C PHE 254 -9.391 24.236 55.252 1.00143.07 C ATOM 98 O PHE 254 -10.484 24.758 55.459 1.00143.07 O ATOM 99 N THR 255 -9.171 23.366 54.249 1.00 39.69 N ATOM 100 CA THR 255 -10.180 22.895 53.351 1.00 39.69 C ATOM 101 CB THR 255 -9.607 22.061 52.246 1.00 39.69 C ATOM 102 OG1 THR 255 -8.663 22.812 51.498 1.00 39.69 O ATOM 103 CG2 THR 255 -10.757 21.582 51.343 1.00 39.69 C ATOM 104 C THR 255 -11.132 22.013 54.100 1.00 39.69 C ATOM 105 O THR 255 -12.336 22.049 53.849 1.00 39.69 O ATOM 106 N THR 256 -10.621 21.191 55.044 1.00108.25 N ATOM 107 CA THR 256 -11.500 20.248 55.680 1.00108.25 C ATOM 108 CB THR 256 -11.151 18.828 55.355 1.00108.25 C ATOM 109 OG1 THR 256 -9.842 18.522 55.812 1.00108.25 O ATOM 110 CG2 THR 256 -11.227 18.657 53.831 1.00108.25 C ATOM 111 C THR 256 -11.490 20.380 57.171 1.00108.25 C ATOM 112 O THR 256 -10.514 20.815 57.781 1.00108.25 O ATOM 113 N LYS 257 -12.625 19.976 57.783 1.00 77.80 N ATOM 114 CA LYS 257 -12.845 20.046 59.201 1.00 77.80 C ATOM 115 CB LYS 257 -14.222 19.499 59.622 1.00 77.80 C ATOM 116 CG LYS 257 -15.416 20.160 58.942 1.00 77.80 C ATOM 117 CD LYS 257 -16.713 19.371 59.123 1.00 77.80 C ATOM 118 CE LYS 257 -17.896 19.945 58.344 1.00 77.80 C ATOM 119 NZ LYS 257 -19.159 19.375 58.860 1.00 77.80 N ATOM 120 C LYS 257 -11.878 19.146 59.894 1.00 77.80 C ATOM 121 O LYS 257 -11.275 19.520 60.898 1.00 77.80 O ATOM 122 N ALA 258 -11.708 17.922 59.370 1.00 21.63 N ATOM 123 CA ALA 258 -10.899 16.944 60.035 1.00 21.63 C ATOM 124 CB ALA 258 -10.874 15.601 59.285 1.00 21.63 C ATOM 125 C ALA 258 -9.501 17.451 60.116 1.00 21.63 C ATOM 126 O ALA 258 -8.834 17.302 61.139 1.00 21.63 O ATOM 127 N SER 259 -9.029 18.077 59.024 1.00 64.09 N ATOM 128 CA SER 259 -7.676 18.533 58.951 1.00 64.09 C ATOM 129 CB SER 259 -7.348 19.117 57.567 1.00 64.09 C ATOM 130 OG SER 259 -5.986 19.510 57.509 1.00 64.09 O ATOM 131 C SER 259 -7.472 19.593 59.984 1.00 64.09 C ATOM 132 O SER 259 -6.433 19.647 60.641 1.00 64.09 O ATOM 133 N LEU 260 -8.468 20.478 60.159 1.00 71.62 N ATOM 134 CA LEU 260 -8.309 21.510 61.137 1.00 71.62 C ATOM 135 CB LEU 260 -9.395 22.590 61.129 1.00 71.62 C ATOM 136 CG LEU 260 -9.096 23.627 62.225 1.00 71.62 C ATOM 137 CD1 LEU 260 -7.692 24.212 62.042 1.00 71.62 C ATOM 138 CD2 LEU 260 -10.172 24.714 62.307 1.00 71.62 C ATOM 139 C LEU 260 -8.271 20.903 62.506 1.00 71.62 C ATOM 140 O LEU 260 -7.538 21.374 63.376 1.00 71.62 O ATOM 141 N MET 261 -9.056 19.838 62.750 1.00108.06 N ATOM 142 CA MET 261 -9.084 19.280 64.075 1.00108.06 C ATOM 143 CB MET 261 -10.066 18.104 64.260 1.00108.06 C ATOM 144 CG MET 261 -9.538 16.751 63.779 1.00108.06 C ATOM 145 SD MET 261 -10.631 15.342 64.140 1.00108.06 S ATOM 146 CE MET 261 -9.429 14.071 63.652 1.00108.06 C ATOM 147 C MET 261 -7.713 18.787 64.423 1.00108.06 C ATOM 148 O MET 261 -7.255 18.965 65.550 1.00108.06 O ATOM 149 N ASN 262 -7.008 18.158 63.464 1.00 59.15 N ATOM 150 CA ASN 262 -5.687 17.661 63.735 1.00 59.15 C ATOM 151 CB ASN 262 -5.076 16.925 62.524 1.00 59.15 C ATOM 152 CG ASN 262 -3.833 16.155 62.958 1.00 59.15 C ATOM 153 OD1 ASN 262 -3.271 16.393 64.025 1.00 59.15 O ATOM 154 ND2 ASN 262 -3.382 15.209 62.091 1.00 59.15 N ATOM 155 C ASN 262 -4.817 18.840 64.058 1.00 59.15 C ATOM 156 O ASN 262 -3.963 18.776 64.942 1.00 59.15 O ATOM 157 N HIS 263 -5.031 19.960 63.344 1.00 64.74 N ATOM 158 CA HIS 263 -4.255 21.154 63.512 1.00 64.74 C ATOM 159 ND1 HIS 263 -2.575 23.669 62.273 1.00 64.74 N ATOM 160 CG HIS 263 -3.882 23.521 62.688 1.00 64.74 C ATOM 161 CB HIS 263 -4.675 22.262 62.530 1.00 64.74 C ATOM 162 NE2 HIS 263 -3.184 25.612 63.169 1.00 64.74 N ATOM 163 CD2 HIS 263 -4.236 24.715 63.231 1.00 64.74 C ATOM 164 CE1 HIS 263 -2.210 24.936 62.585 1.00 64.74 C ATOM 165 C HIS 263 -4.430 21.701 64.896 1.00 64.74 C ATOM 166 O HIS 263 -3.457 22.127 65.520 1.00 64.74 O ATOM 167 N THR 264 -5.667 21.686 65.426 1.00110.21 N ATOM 168 CA THR 264 -5.927 22.256 66.720 1.00110.21 C ATOM 169 CB THR 264 -7.363 22.151 67.159 1.00110.21 C ATOM 170 OG1 THR 264 -7.759 20.794 67.293 1.00110.21 O ATOM 171 CG2 THR 264 -8.250 22.873 66.135 1.00110.21 C ATOM 172 C THR 264 -5.103 21.547 67.745 1.00110.21 C ATOM 173 O THR 264 -4.651 22.147 68.717 1.00110.21 O ATOM 174 N ASN 265 -4.886 20.237 67.552 1.00 41.90 N ATOM 175 CA ASN 265 -4.153 19.472 68.514 1.00 41.90 C ATOM 176 CB ASN 265 -3.989 17.996 68.128 1.00 41.90 C ATOM 177 CG ASN 265 -5.350 17.323 68.208 1.00 41.90 C ATOM 178 OD1 ASN 265 -6.366 17.961 68.479 1.00 41.90 O ATOM 179 ND2 ASN 265 -5.361 15.981 67.988 1.00 41.90 N ATOM 180 C ASN 265 -2.774 20.036 68.641 1.00 41.90 C ATOM 181 O ASN 265 -2.182 19.977 69.715 1.00 41.90 O ATOM 182 N GLY 266 -2.203 20.571 67.548 1.00 30.27 N ATOM 183 CA GLY 266 -0.853 21.051 67.622 1.00 30.27 C ATOM 184 C GLY 266 -0.729 22.180 68.602 1.00 30.27 C ATOM 185 O GLY 266 0.213 22.202 69.392 1.00 30.27 O ATOM 186 N HIS 267 -1.651 23.164 68.575 1.00 59.58 N ATOM 187 CA HIS 267 -1.510 24.264 69.488 1.00 59.58 C ATOM 188 ND1 HIS 267 -1.112 27.220 68.096 1.00 59.58 N ATOM 189 CG HIS 267 -2.125 26.282 68.053 1.00 59.58 C ATOM 190 CB HIS 267 -2.510 25.417 69.230 1.00 59.58 C ATOM 191 NE2 HIS 267 -1.958 27.305 66.040 1.00 59.58 N ATOM 192 CD2 HIS 267 -2.628 26.352 66.788 1.00 59.58 C ATOM 193 CE1 HIS 267 -1.055 27.800 66.872 1.00 59.58 C ATOM 194 C HIS 267 -1.678 23.799 70.900 1.00 59.58 C ATOM 195 O HIS 267 -0.851 24.104 71.761 1.00 59.58 O ATOM 196 N THR 268 -2.744 23.027 71.178 1.00 90.19 N ATOM 197 CA THR 268 -2.985 22.599 72.527 1.00 90.19 C ATOM 198 CB THR 268 -4.309 21.915 72.705 1.00 90.19 C ATOM 199 OG1 THR 268 -4.486 21.550 74.066 1.00 90.19 O ATOM 200 CG2 THR 268 -4.388 20.687 71.785 1.00 90.19 C ATOM 201 C THR 268 -1.882 21.690 72.966 1.00 90.19 C ATOM 202 O THR 268 -1.433 21.745 74.110 1.00 90.19 O ATOM 203 N GLY 269 -1.402 20.831 72.052 1.00 21.99 N ATOM 204 CA GLY 269 -0.333 19.934 72.374 1.00 21.99 C ATOM 205 C GLY 269 -0.877 18.577 72.685 1.00 21.99 C ATOM 206 O GLY 269 -0.107 17.665 72.989 1.00 21.99 O ATOM 207 N THR 270 -2.210 18.386 72.621 1.00 90.29 N ATOM 208 CA THR 270 -2.710 17.077 72.934 1.00 90.29 C ATOM 209 CB THR 270 -4.186 17.014 73.193 1.00 90.29 C ATOM 210 OG1 THR 270 -4.916 17.363 72.024 1.00 90.29 O ATOM 211 CG2 THR 270 -4.513 17.978 74.344 1.00 90.29 C ATOM 212 C THR 270 -2.422 16.138 71.770 1.00 90.29 C ATOM 213 O THR 270 -2.062 16.636 70.671 1.00 90.29 O ATOM 214 OXT THR 270 -2.558 14.900 71.970 1.00 90.29 O