EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:01:28 REMARK 6 MODELLER OBJECTIVE FUNCTION: 111.9909 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 59.259 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1817.67456 REMARK 6 GA341 score: 0.99990 REMARK 6 Normalized DOPE score: -1.21872 REMARK 6 TEMPLATE: 2i13A02 75:A - 101:A MODELS 1: - 27: AT 59.3% ATOM 1 N GLU 203 -19.533 40.949 54.690 1.00 29.77 N ATOM 2 CA GLU 203 -19.308 39.536 54.316 1.00 29.77 C ATOM 3 CB GLU 203 -19.280 39.367 52.790 1.00 29.77 C ATOM 4 CG GLU 203 -19.047 37.916 52.365 1.00 29.77 C ATOM 5 CD GLU 203 -18.866 37.886 50.856 1.00 29.77 C ATOM 6 OE1 GLU 203 -18.982 38.973 50.232 1.00 29.77 O ATOM 7 OE2 GLU 203 -18.609 36.782 50.306 1.00 29.77 O ATOM 8 C GLU 203 -18.013 39.011 54.833 1.00 29.77 C ATOM 9 O GLU 203 -17.089 39.766 55.134 1.00 29.77 O ATOM 10 N LYS 204 -17.935 37.674 54.967 1.00 81.28 N ATOM 11 CA LYS 204 -16.731 37.034 55.402 1.00 81.28 C ATOM 12 CB LYS 204 -16.991 36.104 56.597 1.00 81.28 C ATOM 13 CG LYS 204 -17.478 36.874 57.826 1.00 81.28 C ATOM 14 CD LYS 204 -18.234 36.030 58.854 1.00 81.28 C ATOM 15 CE LYS 204 -19.743 35.983 58.594 1.00 81.28 C ATOM 16 NZ LYS 204 -20.426 35.240 59.676 1.00 81.28 N ATOM 17 C LYS 204 -16.310 36.188 54.246 1.00 81.28 C ATOM 18 O LYS 204 -16.797 35.075 54.065 1.00 81.28 O ATOM 19 N PRO 205 -15.434 36.715 53.443 1.00115.27 N ATOM 20 CA PRO 205 -14.990 36.036 52.257 1.00115.27 C ATOM 21 CD PRO 205 -15.299 38.155 53.326 1.00115.27 C ATOM 22 CB PRO 205 -14.369 37.110 51.359 1.00115.27 C ATOM 23 CG PRO 205 -14.201 38.339 52.270 1.00115.27 C ATOM 24 C PRO 205 -14.097 34.855 52.451 1.00115.27 C ATOM 25 O PRO 205 -14.034 34.031 51.541 1.00115.27 O ATOM 26 N PHE 206 -13.393 34.726 53.589 1.00 61.71 N ATOM 27 CA PHE 206 -12.461 33.637 53.631 1.00 61.71 C ATOM 28 CB PHE 206 -11.063 34.065 54.096 1.00 61.71 C ATOM 29 CG PHE 206 -10.602 35.026 53.053 1.00 61.71 C ATOM 30 CD1 PHE 206 -10.111 34.568 51.853 1.00 61.71 C ATOM 31 CD2 PHE 206 -10.674 36.383 53.273 1.00 61.71 C ATOM 32 CE1 PHE 206 -9.688 35.451 50.887 1.00 61.71 C ATOM 33 CE2 PHE 206 -10.252 37.270 52.311 1.00 61.71 C ATOM 34 CZ PHE 206 -9.761 36.804 51.115 1.00 61.71 C ATOM 35 C PHE 206 -12.979 32.564 54.528 1.00 61.71 C ATOM 36 O PHE 206 -13.235 32.791 55.710 1.00 61.71 O ATOM 37 N THR 207 -13.117 31.344 53.970 1.00104.61 N ATOM 38 CA THR 207 -13.680 30.257 54.715 1.00104.61 C ATOM 39 CB THR 207 -14.806 29.579 53.994 1.00104.61 C ATOM 40 OG1 THR 207 -14.333 28.999 52.788 1.00104.61 O ATOM 41 CG2 THR 207 -15.895 30.622 53.689 1.00104.61 C ATOM 42 C THR 207 -12.626 29.223 54.962 1.00104.61 C ATOM 43 O THR 207 -11.780 28.953 54.109 1.00104.61 O ATOM 44 N CYS 208 -12.651 28.640 56.178 1.00 46.11 N ATOM 45 CA CYS 208 -11.726 27.614 56.573 1.00 46.11 C ATOM 46 CB CYS 208 -11.676 27.413 58.100 1.00 46.11 C ATOM 47 SG CYS 208 -10.510 26.121 58.628 1.00 46.11 S ATOM 48 C CYS 208 -12.176 26.327 55.959 1.00 46.11 C ATOM 49 O CYS 208 -13.339 25.945 56.067 1.00 46.11 O ATOM 50 N THR 209 -11.248 25.606 55.308 1.00 39.26 N ATOM 51 CA THR 209 -11.584 24.383 54.641 1.00 39.26 C ATOM 52 CB THR 209 -10.404 23.779 53.935 1.00 39.26 C ATOM 53 OG1 THR 209 -9.881 24.696 52.986 1.00 39.26 O ATOM 54 CG2 THR 209 -10.852 22.487 53.228 1.00 39.26 C ATOM 55 C THR 209 -12.045 23.374 55.645 1.00 39.26 C ATOM 56 O THR 209 -13.009 22.649 55.400 1.00 39.26 O ATOM 57 N GLN 210 -11.341 23.269 56.791 1.00157.78 N ATOM 58 CA GLN 210 -11.677 22.220 57.713 1.00157.78 C ATOM 59 CB GLN 210 -10.606 22.036 58.801 1.00157.78 C ATOM 60 CG GLN 210 -9.230 21.679 58.234 1.00157.78 C ATOM 61 CD GLN 210 -9.361 20.367 57.474 1.00157.78 C ATOM 62 OE1 GLN 210 -10.265 19.575 57.734 1.00157.78 O ATOM 63 NE2 GLN 210 -8.437 20.123 56.506 1.00157.78 N ATOM 64 C GLN 210 -12.995 22.419 58.414 1.00157.78 C ATOM 65 O GLN 210 -13.864 21.550 58.359 1.00157.78 O ATOM 66 N CYS 211 -13.147 23.557 59.123 1.00114.54 N ATOM 67 CA CYS 211 -14.296 23.912 59.922 1.00114.54 C ATOM 68 CB CYS 211 -13.920 25.015 60.923 1.00114.54 C ATOM 69 SG CYS 211 -15.321 25.593 61.911 1.00114.54 S ATOM 70 C CYS 211 -15.463 24.411 59.125 1.00114.54 C ATOM 71 O CYS 211 -16.608 24.048 59.390 1.00114.54 O ATOM 72 N GLY 212 -15.198 25.274 58.126 1.00 26.71 N ATOM 73 CA GLY 212 -16.256 25.893 57.382 1.00 26.71 C ATOM 74 C GLY 212 -16.530 27.248 57.979 1.00 26.71 C ATOM 75 O GLY 212 -17.446 27.945 57.548 1.00 26.71 O ATOM 76 N LYS 213 -15.734 27.657 58.991 1.00 80.21 N ATOM 77 CA LYS 213 -15.879 28.931 59.651 1.00 80.21 C ATOM 78 CB LYS 213 -15.004 29.012 60.918 1.00 80.21 C ATOM 79 CG LYS 213 -15.292 30.180 61.865 1.00 80.21 C ATOM 80 CD LYS 213 -14.573 30.029 63.209 1.00 80.21 C ATOM 81 CE LYS 213 -14.921 31.106 64.236 1.00 80.21 C ATOM 82 NZ LYS 213 -16.041 30.649 65.086 1.00 80.21 N ATOM 83 C LYS 213 -15.423 30.004 58.698 1.00 80.21 C ATOM 84 O LYS 213 -14.446 29.821 57.973 1.00 80.21 O ATOM 85 N SER 214 -16.116 31.168 58.685 1.00 50.71 N ATOM 86 CA SER 214 -15.772 32.218 57.760 1.00 50.71 C ATOM 87 CB SER 214 -16.974 32.745 56.953 1.00 50.71 C ATOM 88 OG SER 214 -17.499 31.715 56.129 1.00 50.71 O ATOM 89 C SER 214 -15.200 33.382 58.515 1.00 50.71 C ATOM 90 O SER 214 -15.540 33.617 59.674 1.00 50.71 O ATOM 91 N PHE 215 -14.304 34.149 57.849 1.00146.17 N ATOM 92 CA PHE 215 -13.627 35.248 58.484 1.00146.17 C ATOM 93 CB PHE 215 -12.131 34.970 58.716 1.00146.17 C ATOM 94 CG PHE 215 -12.006 33.884 59.727 1.00146.17 C ATOM 95 CD1 PHE 215 -12.042 32.561 59.348 1.00146.17 C ATOM 96 CD2 PHE 215 -11.869 34.194 61.060 1.00146.17 C ATOM 97 CE1 PHE 215 -11.926 31.565 60.288 1.00146.17 C ATOM 98 CE2 PHE 215 -11.751 33.203 62.005 1.00146.17 C ATOM 99 CZ PHE 215 -11.782 31.885 61.617 1.00146.17 C ATOM 100 C PHE 215 -13.673 36.453 57.602 1.00146.17 C ATOM 101 O PHE 215 -13.692 36.355 56.376 1.00146.17 O ATOM 102 N SER 216 -13.701 37.639 58.241 1.00 81.86 N ATOM 103 CA SER 216 -13.695 38.897 57.555 1.00 81.86 C ATOM 104 CB SER 216 -13.995 40.074 58.492 1.00 81.86 C ATOM 105 OG SER 216 -15.287 39.919 59.057 1.00 81.86 O ATOM 106 C SER 216 -12.333 39.137 56.976 1.00 81.86 C ATOM 107 O SER 216 -12.209 39.755 55.919 1.00 81.86 O ATOM 108 N GLN 217 -11.268 38.659 57.658 1.00 77.73 N ATOM 109 CA GLN 217 -9.944 38.948 57.175 1.00 77.73 C ATOM 110 CB GLN 217 -9.087 39.805 58.132 1.00 77.73 C ATOM 111 CG GLN 217 -9.591 41.236 58.350 1.00 77.73 C ATOM 112 CD GLN 217 -10.411 41.282 59.631 1.00 77.73 C ATOM 113 OE1 GLN 217 -10.395 40.341 60.425 1.00 77.73 O ATOM 114 NE2 GLN 217 -11.129 42.418 59.846 1.00 77.73 N ATOM 115 C GLN 217 -9.170 37.685 56.945 1.00 77.73 C ATOM 116 O GLN 217 -9.321 36.690 57.653 1.00 77.73 O ATOM 117 N SER 218 -8.289 37.729 55.924 1.00 69.13 N ATOM 118 CA SER 218 -7.459 36.628 55.526 1.00 69.13 C ATOM 119 CB SER 218 -6.634 36.939 54.268 1.00 69.13 C ATOM 120 OG SER 218 -5.754 38.023 54.525 1.00 69.13 O ATOM 121 C SER 218 -6.490 36.302 56.617 1.00 69.13 C ATOM 122 O SER 218 -6.252 35.133 56.917 1.00 69.13 O ATOM 123 N SER 219 -5.912 37.337 57.251 1.00 61.00 N ATOM 124 CA SER 219 -4.912 37.116 58.254 1.00 61.00 C ATOM 125 CB SER 219 -4.357 38.430 58.827 1.00 61.00 C ATOM 126 OG SER 219 -3.380 38.148 59.817 1.00 61.00 O ATOM 127 C SER 219 -5.522 36.357 59.385 1.00 61.00 C ATOM 128 O SER 219 -4.894 35.464 59.952 1.00 61.00 O ATOM 129 N HIS 220 -6.776 36.695 59.737 1.00 39.73 N ATOM 130 CA HIS 220 -7.428 36.054 60.837 1.00 39.73 C ATOM 131 ND1 HIS 220 -8.134 39.193 61.248 1.00 39.73 N ATOM 132 CG HIS 220 -8.561 38.046 61.881 1.00 39.73 C ATOM 133 CB HIS 220 -8.762 36.722 61.203 1.00 39.73 C ATOM 134 NE2 HIS 220 -8.428 39.720 63.387 1.00 39.73 N ATOM 135 CD2 HIS 220 -8.735 38.387 63.187 1.00 39.73 C ATOM 136 CE1 HIS 220 -8.072 40.162 62.195 1.00 39.73 C ATOM 137 C HIS 220 -7.662 34.611 60.522 1.00 39.73 C ATOM 138 O HIS 220 -7.503 33.750 61.385 1.00 39.73 O ATOM 139 N LEU 221 -8.054 34.295 59.276 1.00 62.89 N ATOM 140 CA LEU 221 -8.289 32.917 58.961 1.00 62.89 C ATOM 141 CB LEU 221 -8.816 32.676 57.545 1.00 62.89 C ATOM 142 CG LEU 221 -9.022 31.173 57.284 1.00 62.89 C ATOM 143 CD1 LEU 221 -10.065 30.566 58.233 1.00 62.89 C ATOM 144 CD2 LEU 221 -9.350 30.906 55.817 1.00 62.89 C ATOM 145 C LEU 221 -7.006 32.156 59.077 1.00 62.89 C ATOM 146 O LEU 221 -6.992 31.022 59.551 1.00 62.89 O ATOM 147 N ASN 222 -5.886 32.769 58.654 1.00 73.14 N ATOM 148 CA ASN 222 -4.614 32.102 58.662 1.00 73.14 C ATOM 149 CB ASN 222 -3.470 33.019 58.185 1.00 73.14 C ATOM 150 CG ASN 222 -2.149 32.259 58.179 1.00 73.14 C ATOM 151 OD1 ASN 222 -1.704 31.731 59.196 1.00 73.14 O ATOM 152 ND2 ASN 222 -1.486 32.217 56.994 1.00 73.14 N ATOM 153 C ASN 222 -4.302 31.664 60.059 1.00 73.14 C ATOM 154 O ASN 222 -3.859 30.536 60.266 1.00 73.14 O ATOM 155 N GLN 223 -4.525 32.535 61.062 1.00 70.61 N ATOM 156 CA GLN 223 -4.221 32.134 62.407 1.00 70.61 C ATOM 157 CB GLN 223 -4.349 33.245 63.466 1.00 70.61 C ATOM 158 CG GLN 223 -3.274 34.332 63.370 1.00 70.61 C ATOM 159 CD GLN 223 -3.847 35.517 62.608 1.00 70.61 C ATOM 160 OE1 GLN 223 -3.111 36.331 62.052 1.00 70.61 O ATOM 161 NE2 GLN 223 -5.202 35.625 62.595 1.00 70.61 N ATOM 162 C GLN 223 -5.141 31.022 62.802 1.00 70.61 C ATOM 163 O GLN 223 -4.737 30.088 63.493 1.00 70.61 O ATOM 164 N HIS 224 -6.408 31.091 62.358 1.00 59.46 N ATOM 165 CA HIS 224 -7.386 30.100 62.702 1.00 59.46 C ATOM 166 ND1 HIS 224 -10.419 29.109 63.507 1.00 59.46 N ATOM 167 CG HIS 224 -9.770 29.331 62.313 1.00 59.46 C ATOM 168 CB HIS 224 -8.756 30.408 62.077 1.00 59.46 C ATOM 169 NE2 HIS 224 -11.174 27.581 62.079 1.00 59.46 N ATOM 170 CD2 HIS 224 -10.243 28.389 61.452 1.00 59.46 C ATOM 171 CE1 HIS 224 -11.247 28.051 63.311 1.00 59.46 C ATOM 172 C HIS 224 -6.954 28.758 62.193 1.00 59.46 C ATOM 173 O HIS 224 -7.070 27.755 62.894 1.00 59.46 O ATOM 174 N MET 225 -6.409 28.708 60.967 1.00 37.60 N ATOM 175 CA MET 225 -6.037 27.468 60.345 1.00 37.60 C ATOM 176 CB MET 225 -5.469 27.675 58.930 1.00 37.60 C ATOM 177 CG MET 225 -6.479 28.290 57.957 1.00 37.60 C ATOM 178 SD MET 225 -5.837 28.614 56.287 1.00 37.60 S ATOM 179 CE MET 225 -5.730 26.860 55.827 1.00 37.60 C ATOM 180 C MET 225 -4.984 26.798 61.175 1.00 37.60 C ATOM 181 O MET 225 -4.940 25.573 61.281 1.00 37.60 O ATOM 182 N ARG 226 -4.109 27.600 61.802 1.00 78.17 N ATOM 183 CA ARG 226 -3.011 27.077 62.561 1.00 78.17 C ATOM 184 CB ARG 226 -2.210 28.185 63.264 1.00 78.17 C ATOM 185 CG ARG 226 -1.638 29.243 62.318 1.00 78.17 C ATOM 186 CD ARG 226 -0.846 30.321 63.056 1.00 78.17 C ATOM 187 NE ARG 226 -0.349 31.304 62.054 1.00 78.17 N ATOM 188 CZ ARG 226 0.976 31.635 62.045 1.00 78.17 C ATOM 189 NH1 ARG 226 1.841 30.989 62.879 1.00 78.17 N ATOM 190 NH2 ARG 226 1.436 32.619 61.219 1.00 78.17 N ATOM 191 C ARG 226 -3.548 26.204 63.648 1.00 78.17 C ATOM 192 O ARG 226 -2.993 25.144 63.935 1.00 78.17 O ATOM 193 N ILE 227 -4.662 26.617 64.275 1.00 75.79 N ATOM 194 CA ILE 227 -5.141 25.884 65.407 1.00 75.79 C ATOM 195 CB ILE 227 -6.309 26.522 66.095 1.00 75.79 C ATOM 196 CG1 ILE 227 -6.471 25.899 67.488 1.00 75.79 C ATOM 197 CG2 ILE 227 -7.555 26.373 65.210 1.00 75.79 C ATOM 198 CD1 ILE 227 -7.396 26.691 68.406 1.00 75.79 C ATOM 199 C ILE 227 -5.523 24.484 65.032 1.00 75.79 C ATOM 200 O ILE 227 -5.210 23.550 65.769 1.00 75.79 O ATOM 201 N HIS 228 -6.199 24.278 63.884 1.00 40.60 N ATOM 202 CA HIS 228 -6.612 22.940 63.571 1.00 40.60 C ATOM 203 ND1 HIS 228 -9.836 22.795 62.944 1.00 40.60 N ATOM 204 CG HIS 228 -8.772 23.400 62.312 1.00 40.60 C ATOM 205 CB HIS 228 -7.393 22.815 62.250 1.00 40.60 C ATOM 206 NE2 HIS 228 -10.604 24.697 62.085 1.00 40.60 N ATOM 207 CD2 HIS 228 -9.258 24.560 61.793 1.00 40.60 C ATOM 208 CE1 HIS 228 -10.906 23.614 62.777 1.00 40.60 C ATOM 209 C HIS 228 -5.397 22.083 63.453 1.00 40.60 C ATOM 210 O HIS 228 -5.362 20.972 63.980 1.00 40.60 O ATOM 211 N THR 229 -4.356 22.578 62.760 1.00 13.49 N ATOM 212 CA THR 229 -3.173 21.785 62.609 1.00 13.49 C ATOM 213 CB THR 229 -2.225 22.328 61.579 1.00 13.49 C ATOM 214 OG1 THR 229 -1.762 23.615 61.961 1.00 13.49 O ATOM 215 CG2 THR 229 -2.961 22.412 60.232 1.00 13.49 C ATOM 216 C THR 229 -2.439 21.749 63.944 1.00 13.49 C ATOM 217 O THR 229 -1.211 22.031 63.933 1.00 13.49 O ATOM 218 OXT THR 229 -3.081 21.441 64.984 1.00 13.49 O