EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:01:42 REMARK 6 MODELLER OBJECTIVE FUNCTION: 148.6575 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 44.828 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -2001.91785 REMARK 6 GA341 score: 0.75184 REMARK 6 Normalized DOPE score: -0.07476 REMARK 6 TEMPLATE: 2i13A02 75:A - 103:A MODELS 1: - 29: AT 44.8% ATOM 1 N GLU 107 -17.661 21.119 55.586 1.00 36.32 N ATOM 2 CA GLU 107 -17.854 22.449 56.209 1.00 36.32 C ATOM 3 CB GLU 107 -18.833 22.357 57.392 1.00 36.32 C ATOM 4 CG GLU 107 -18.984 23.666 58.172 1.00 36.32 C ATOM 5 CD GLU 107 -20.019 23.426 59.259 1.00 36.32 C ATOM 6 OE1 GLU 107 -21.230 23.429 58.915 1.00 36.32 O ATOM 7 OE2 GLU 107 -19.617 23.216 60.436 1.00 36.32 O ATOM 8 C GLU 107 -16.582 23.024 56.726 1.00 36.32 C ATOM 9 O GLU 107 -15.775 22.336 57.349 1.00 36.32 O ATOM 10 N ARG 108 -16.359 24.320 56.447 1.00131.85 N ATOM 11 CA ARG 108 -15.201 24.972 56.968 1.00131.85 C ATOM 12 CB ARG 108 -14.295 25.459 55.818 1.00131.85 C ATOM 13 CG ARG 108 -13.864 24.221 55.005 1.00131.85 C ATOM 14 CD ARG 108 -12.877 24.428 53.850 1.00131.85 C ATOM 15 NE ARG 108 -13.613 24.921 52.652 1.00131.85 N ATOM 16 CZ ARG 108 -12.906 25.355 51.567 1.00131.85 C ATOM 17 NH1 ARG 108 -11.540 25.334 51.585 1.00131.85 N ATOM 18 NH2 ARG 108 -13.571 25.810 50.466 1.00131.85 N ATOM 19 C ARG 108 -15.743 26.050 57.860 1.00131.85 C ATOM 20 O ARG 108 -16.199 27.114 57.438 1.00131.85 O ATOM 21 N PRO 109 -15.741 25.701 59.116 1.00103.47 N ATOM 22 CA PRO 109 -16.313 26.487 60.174 1.00103.47 C ATOM 23 CD PRO 109 -15.506 24.330 59.525 1.00103.47 C ATOM 24 CB PRO 109 -16.382 25.572 61.396 1.00103.47 C ATOM 25 CG PRO 109 -15.443 24.403 61.058 1.00103.47 C ATOM 26 C PRO 109 -15.666 27.785 60.501 1.00103.47 C ATOM 27 O PRO 109 -16.373 28.670 60.965 1.00103.47 O ATOM 28 N HIS 110 -14.346 27.946 60.291 1.00 84.35 N ATOM 29 CA HIS 110 -13.791 29.179 60.753 1.00 84.35 C ATOM 30 ND1 HIS 110 -13.258 27.152 63.072 1.00 84.35 N ATOM 31 CG HIS 110 -12.671 28.386 62.890 1.00 84.35 C ATOM 32 CB HIS 110 -12.462 29.003 61.528 1.00 84.35 C ATOM 33 NE2 HIS 110 -12.752 27.913 65.098 1.00 84.35 N ATOM 34 CD2 HIS 110 -12.368 28.836 64.141 1.00 84.35 C ATOM 35 CE1 HIS 110 -13.283 26.917 64.405 1.00 84.35 C ATOM 36 C HIS 110 -13.635 30.116 59.603 1.00 84.35 C ATOM 37 O HIS 110 -12.957 29.821 58.618 1.00 84.35 O ATOM 38 N LYS 111 -14.293 31.289 59.707 1.00122.38 N ATOM 39 CA LYS 111 -14.242 32.257 58.656 1.00122.38 C ATOM 40 CB LYS 111 -15.604 32.816 58.226 1.00122.38 C ATOM 41 CG LYS 111 -16.245 32.021 57.093 1.00122.38 C ATOM 42 CD LYS 111 -17.733 32.297 56.901 1.00122.38 C ATOM 43 CE LYS 111 -18.605 31.079 57.217 1.00122.38 C ATOM 44 NZ LYS 111 -17.977 30.232 58.262 1.00122.38 N ATOM 45 C LYS 111 -13.415 33.427 59.054 1.00122.38 C ATOM 46 O LYS 111 -13.364 33.837 60.213 1.00122.38 O ATOM 47 N CYS 112 -12.730 33.980 58.034 1.00 59.43 N ATOM 48 CA CYS 112 -11.905 35.141 58.161 1.00 59.43 C ATOM 49 CB CYS 112 -10.927 35.265 56.973 1.00 59.43 C ATOM 50 SG CYS 112 -9.612 36.499 57.194 1.00 59.43 S ATOM 51 C CYS 112 -12.835 36.312 58.145 1.00 59.43 C ATOM 52 O CYS 112 -13.651 36.469 57.243 1.00 59.43 O ATOM 53 N ASP 113 -12.729 37.175 59.169 1.00 43.79 N ATOM 54 CA ASP 113 -13.573 38.327 59.252 1.00 43.79 C ATOM 55 CB ASP 113 -13.355 39.126 60.549 1.00 43.79 C ATOM 56 CG ASP 113 -13.721 38.199 61.698 1.00 43.79 C ATOM 57 OD1 ASP 113 -14.803 37.557 61.631 1.00 43.79 O ATOM 58 OD2 ASP 113 -12.900 38.106 62.646 1.00 43.79 O ATOM 59 C ASP 113 -13.245 39.243 58.114 1.00 43.79 C ATOM 60 O ASP 113 -14.142 39.833 57.513 1.00 43.79 O ATOM 61 N GLN 114 -11.942 39.409 57.813 1.00121.35 N ATOM 62 CA GLN 114 -11.523 40.348 56.810 1.00121.35 C ATOM 63 CB GLN 114 -9.998 40.535 56.881 1.00121.35 C ATOM 64 CG GLN 114 -9.439 41.566 55.908 1.00121.35 C ATOM 65 CD GLN 114 -9.876 42.927 56.414 1.00121.35 C ATOM 66 OE1 GLN 114 -9.291 43.481 57.343 1.00121.35 O ATOM 67 NE2 GLN 114 -10.944 43.486 55.783 1.00121.35 N ATOM 68 C GLN 114 -11.879 39.966 55.388 1.00121.35 C ATOM 69 O GLN 114 -12.598 40.701 54.714 1.00121.35 O ATOM 70 N CYS 115 -11.347 38.822 54.885 1.00 88.72 N ATOM 71 CA CYS 115 -11.492 38.350 53.517 1.00 88.72 C ATOM 72 CB CYS 115 -10.263 37.572 52.996 1.00 88.72 C ATOM 73 SG CYS 115 -10.006 35.964 53.796 1.00 88.72 S ATOM 74 C CYS 115 -12.734 37.537 53.257 1.00 88.72 C ATOM 75 O CYS 115 -13.172 37.417 52.115 1.00 88.72 O ATOM 76 N SER 116 -13.307 36.941 54.324 1.00111.98 N ATOM 77 CA SER 116 -14.441 36.049 54.314 1.00111.98 C ATOM 78 CB SER 116 -15.663 36.553 53.521 1.00111.98 C ATOM 79 OG SER 116 -15.501 36.296 52.134 1.00111.98 O ATOM 80 C SER 116 -14.070 34.694 53.773 1.00111.98 C ATOM 81 O SER 116 -14.950 33.904 53.437 1.00111.98 O ATOM 82 N LYS 117 -12.762 34.368 53.702 1.00 89.23 N ATOM 83 CA LYS 117 -12.351 33.060 53.271 1.00 89.23 C ATOM 84 CB LYS 117 -10.849 33.013 52.933 1.00 89.23 C ATOM 85 CG LYS 117 -10.345 31.673 52.396 1.00 89.23 C ATOM 86 CD LYS 117 -8.915 31.738 51.857 1.00 89.23 C ATOM 87 CE LYS 117 -8.604 33.014 51.075 1.00 89.23 C ATOM 88 NZ LYS 117 -7.349 32.827 50.318 1.00 89.23 N ATOM 89 C LYS 117 -12.593 32.125 54.421 1.00 89.23 C ATOM 90 O LYS 117 -12.306 32.462 55.570 1.00 89.23 O ATOM 91 N LEU 118 -13.147 30.920 54.157 1.00155.10 N ATOM 92 CA LEU 118 -13.377 30.024 55.259 1.00155.10 C ATOM 93 CB LEU 118 -14.804 29.448 55.362 1.00155.10 C ATOM 94 CG LEU 118 -15.180 28.437 54.267 1.00155.10 C ATOM 95 CD1 LEU 118 -16.619 27.917 54.443 1.00155.10 C ATOM 96 CD2 LEU 118 -14.911 29.024 52.874 1.00155.10 C ATOM 97 C LEU 118 -12.428 28.878 55.145 1.00155.10 C ATOM 98 O LEU 118 -12.034 28.490 54.046 1.00155.10 O ATOM 99 N PHE 119 -12.033 28.308 56.306 1.00 74.32 N ATOM 100 CA PHE 119 -11.059 27.260 56.313 1.00 74.32 C ATOM 101 CB PHE 119 -9.715 27.693 56.931 1.00 74.32 C ATOM 102 CG PHE 119 -9.150 28.827 56.134 1.00 74.32 C ATOM 103 CD1 PHE 119 -8.398 28.608 54.999 1.00 74.32 C ATOM 104 CD2 PHE 119 -9.376 30.128 56.522 1.00 74.32 C ATOM 105 CE1 PHE 119 -7.881 29.661 54.277 1.00 74.32 C ATOM 106 CE2 PHE 119 -8.859 31.181 55.802 1.00 74.32 C ATOM 107 CZ PHE 119 -8.113 30.954 54.674 1.00 74.32 C ATOM 108 C PHE 119 -11.572 26.112 57.120 1.00 74.32 C ATOM 109 O PHE 119 -12.491 26.247 57.927 1.00 74.32 O ATOM 110 N PHE 120 -10.988 24.930 56.845 1.00 99.73 N ATOM 111 CA PHE 120 -11.294 23.700 57.503 1.00 99.73 C ATOM 112 CB PHE 120 -10.607 22.490 56.849 1.00 99.73 C ATOM 113 CG PHE 120 -10.912 21.328 57.727 1.00 99.73 C ATOM 114 CD1 PHE 120 -12.151 20.734 57.727 1.00 99.73 C ATOM 115 CD2 PHE 120 -9.949 20.823 58.561 1.00 99.73 C ATOM 116 CE1 PHE 120 -12.422 19.665 58.546 1.00 99.73 C ATOM 117 CE2 PHE 120 -10.208 19.755 59.384 1.00 99.73 C ATOM 118 CZ PHE 120 -11.450 19.174 59.381 1.00 99.73 C ATOM 119 C PHE 120 -10.838 23.772 58.924 1.00 99.73 C ATOM 120 O PHE 120 -11.565 23.357 59.828 1.00 99.73 O ATOM 121 N ILE 121 -9.631 24.309 59.191 1.00128.27 N ATOM 122 CA ILE 121 -9.231 24.249 60.569 1.00128.27 C ATOM 123 CB ILE 121 -8.121 23.285 60.845 1.00128.27 C ATOM 124 CG1 ILE 121 -8.146 22.856 62.325 1.00128.27 C ATOM 125 CG2 ILE 121 -6.809 23.948 60.386 1.00128.27 C ATOM 126 CD1 ILE 121 -9.393 22.035 62.663 1.00128.27 C ATOM 127 C ILE 121 -8.772 25.592 61.031 1.00128.27 C ATOM 128 O ILE 121 -8.345 26.428 60.238 1.00128.27 O ATOM 129 N PHE 122 -8.833 25.792 62.368 1.00102.02 N ATOM 130 CA PHE 122 -8.534 27.038 63.014 1.00102.02 C ATOM 131 CB PHE 122 -8.700 27.025 64.542 1.00102.02 C ATOM 132 CG PHE 122 -8.468 28.429 64.991 1.00102.02 C ATOM 133 CD1 PHE 122 -9.505 29.332 64.974 1.00102.02 C ATOM 134 CD2 PHE 122 -7.230 28.860 65.411 1.00102.02 C ATOM 135 CE1 PHE 122 -9.320 30.629 65.384 1.00102.02 C ATOM 136 CE2 PHE 122 -7.039 30.160 65.821 1.00102.02 C ATOM 137 CZ PHE 122 -8.084 31.047 65.810 1.00102.02 C ATOM 138 C PHE 122 -7.118 27.429 62.782 1.00102.02 C ATOM 139 O PHE 122 -6.829 28.601 62.559 1.00102.02 O ATOM 140 N SER 123 -6.192 26.463 62.847 1.00 65.44 N ATOM 141 CA SER 123 -4.813 26.816 62.744 1.00 65.44 C ATOM 142 CB SER 123 -3.895 25.593 62.827 1.00 65.44 C ATOM 143 OG SER 123 -2.541 25.999 62.698 1.00 65.44 O ATOM 144 C SER 123 -4.579 27.478 61.430 1.00 65.44 C ATOM 145 O SER 123 -3.860 28.469 61.352 1.00 65.44 O ATOM 146 N GLU 124 -5.176 26.947 60.348 1.00 96.07 N ATOM 147 CA GLU 124 -4.911 27.534 59.072 1.00 96.07 C ATOM 148 CB GLU 124 -5.291 26.651 57.865 1.00 96.07 C ATOM 149 CG GLU 124 -4.657 27.209 56.584 1.00 96.07 C ATOM 150 CD GLU 124 -4.223 26.055 55.699 1.00 96.07 C ATOM 151 OE1 GLU 124 -3.105 25.530 55.953 1.00 96.07 O ATOM 152 OE2 GLU 124 -4.994 25.672 54.780 1.00 96.07 O ATOM 153 C GLU 124 -5.532 28.896 58.986 1.00 96.07 C ATOM 154 O GLU 124 -4.966 29.796 58.370 1.00 96.07 O ATOM 155 N LEU 125 -6.711 29.093 59.609 1.00110.12 N ATOM 156 CA LEU 125 -7.365 30.374 59.586 1.00110.12 C ATOM 157 CB LEU 125 -8.677 30.354 60.407 1.00110.12 C ATOM 158 CG LEU 125 -9.636 31.563 60.251 1.00110.12 C ATOM 159 CD1 LEU 125 -10.736 31.527 61.324 1.00110.12 C ATOM 160 CD2 LEU 125 -8.922 32.920 60.167 1.00110.12 C ATOM 161 C LEU 125 -6.451 31.337 60.278 1.00110.12 C ATOM 162 O LEU 125 -6.229 32.459 59.825 1.00110.12 O ATOM 163 N LYS 126 -5.871 30.894 61.407 1.00125.79 N ATOM 164 CA LYS 126 -5.065 31.744 62.228 1.00125.79 C ATOM 165 CB LYS 126 -4.568 31.014 63.484 1.00125.79 C ATOM 166 CG LYS 126 -4.039 31.962 64.559 1.00125.79 C ATOM 167 CD LYS 126 -2.811 32.765 64.130 1.00125.79 C ATOM 168 CE LYS 126 -2.454 33.933 65.054 1.00125.79 C ATOM 169 NZ LYS 126 -1.206 34.573 64.579 1.00125.79 N ATOM 170 C LYS 126 -3.891 32.230 61.442 1.00125.79 C ATOM 171 O LYS 126 -3.589 33.422 61.473 1.00125.79 O ATOM 172 N GLU 127 -3.208 31.335 60.699 1.00 90.24 N ATOM 173 CA GLU 127 -2.067 31.772 59.948 1.00 90.24 C ATOM 174 CB GLU 127 -1.238 30.633 59.337 1.00 90.24 C ATOM 175 CG GLU 127 -1.982 29.741 58.351 1.00 90.24 C ATOM 176 CD GLU 127 -1.027 28.601 58.036 1.00 90.24 C ATOM 177 OE1 GLU 127 0.197 28.879 57.926 1.00 90.24 O ATOM 178 OE2 GLU 127 -1.502 27.440 57.924 1.00 90.24 O ATOM 179 C GLU 127 -2.521 32.695 58.862 1.00 90.24 C ATOM 180 O GLU 127 -1.830 33.659 58.536 1.00 90.24 O ATOM 181 N HIS 128 -3.708 32.441 58.282 1.00 58.94 N ATOM 182 CA HIS 128 -4.193 33.270 57.218 1.00 58.94 C ATOM 183 ND1 HIS 128 -5.604 33.262 54.152 1.00 58.94 N ATOM 184 CG HIS 128 -5.977 33.567 55.440 1.00 58.94 C ATOM 185 CB HIS 128 -5.545 32.796 56.647 1.00 58.94 C ATOM 186 NE2 HIS 128 -6.879 35.081 54.032 1.00 58.94 N ATOM 187 CD2 HIS 128 -6.761 34.678 55.348 1.00 58.94 C ATOM 188 CE1 HIS 128 -6.169 34.199 53.350 1.00 58.94 C ATOM 189 C HIS 128 -4.380 34.661 57.750 1.00 58.94 C ATOM 190 O HIS 128 -4.106 35.631 57.045 1.00 58.94 O ATOM 191 N LEU 129 -4.833 34.792 59.017 1.00 56.31 N ATOM 192 CA LEU 129 -5.104 36.067 59.642 1.00 56.31 C ATOM 193 CB LEU 129 -5.549 35.951 61.117 1.00 56.31 C ATOM 194 CG LEU 129 -6.892 35.233 61.352 1.00 56.31 C ATOM 195 CD1 LEU 129 -7.332 35.333 62.825 1.00 56.31 C ATOM 196 CD2 LEU 129 -7.972 35.746 60.388 1.00 56.31 C ATOM 197 C LEU 129 -3.848 36.887 59.674 1.00 56.31 C ATOM 198 O LEU 129 -3.875 38.104 59.503 1.00 56.31 O ATOM 199 N ARG 130 -2.707 36.217 59.894 1.00134.62 N ATOM 200 CA ARG 130 -1.440 36.871 60.018 1.00134.62 C ATOM 201 CB ARG 130 -0.294 35.888 60.343 1.00134.62 C ATOM 202 CG ARG 130 -0.290 35.356 61.782 1.00134.62 C ATOM 203 CD ARG 130 0.595 34.122 61.990 1.00134.62 C ATOM 204 NE ARG 130 2.015 34.567 62.108 1.00134.62 N ATOM 205 CZ ARG 130 2.753 34.114 63.161 1.00134.62 C ATOM 206 NH1 ARG 130 2.130 33.355 64.109 1.00134.62 N ATOM 207 NH2 ARG 130 4.073 34.440 63.286 1.00134.62 N ATOM 208 C ARG 130 -1.131 37.567 58.731 1.00134.62 C ATOM 209 O ARG 130 -0.416 38.563 58.727 1.00134.62 O ATOM 210 N VAL 131 -1.613 37.036 57.596 1.00 40.85 N ATOM 211 CA VAL 131 -1.328 37.652 56.335 1.00 40.85 C ATOM 212 CB VAL 131 -1.904 36.906 55.179 1.00 40.85 C ATOM 213 CG1 VAL 131 -1.716 37.782 53.935 1.00 40.85 C ATOM 214 CG2 VAL 131 -1.218 35.534 55.080 1.00 40.85 C ATOM 215 C VAL 131 -1.890 39.044 56.262 1.00 40.85 C ATOM 216 O VAL 131 -1.193 39.952 55.819 1.00 40.85 O ATOM 217 N HIS 132 -3.158 39.267 56.676 1.00 53.32 N ATOM 218 CA HIS 132 -3.705 40.594 56.539 1.00 53.32 C ATOM 219 ND1 HIS 132 -6.635 40.223 55.064 1.00 53.32 N ATOM 220 CG HIS 132 -6.123 39.891 56.297 1.00 53.32 C ATOM 221 CB HIS 132 -5.151 40.735 57.058 1.00 53.32 C ATOM 222 NE2 HIS 132 -7.503 38.248 55.606 1.00 53.32 N ATOM 223 CD2 HIS 132 -6.664 38.684 56.614 1.00 53.32 C ATOM 224 CE1 HIS 132 -7.454 39.204 54.696 1.00 53.32 C ATOM 225 C HIS 132 -2.891 41.541 57.361 1.00 53.32 C ATOM 226 O HIS 132 -2.399 42.554 56.868 1.00 53.32 O ATOM 227 N THR 133 -2.698 41.178 58.639 1.00 53.72 N ATOM 228 CA THR 133 -2.024 41.976 59.612 1.00 53.72 C ATOM 229 CB THR 133 -2.141 41.402 60.989 1.00 53.72 C ATOM 230 OG1 THR 133 -1.620 40.080 61.025 1.00 53.72 O ATOM 231 CG2 THR 133 -3.630 41.412 61.371 1.00 53.72 C ATOM 232 C THR 133 -0.588 42.101 59.247 1.00 53.72 C ATOM 233 O THR 133 0.050 43.069 59.649 1.00 53.72 O ATOM 234 N LYS 134 -0.062 41.119 58.497 1.00106.93 N ATOM 235 CA LYS 134 1.317 41.004 58.127 1.00106.93 C ATOM 236 CB LYS 134 1.824 42.059 57.121 1.00106.93 C ATOM 237 CG LYS 134 1.873 43.476 57.679 1.00106.93 C ATOM 238 CD LYS 134 2.652 44.505 56.870 1.00106.93 C ATOM 239 CE LYS 134 2.518 45.889 57.505 1.00106.93 C ATOM 240 NZ LYS 134 3.766 46.660 57.327 1.00106.93 N ATOM 241 C LYS 134 2.119 41.022 59.378 1.00106.93 C ATOM 242 O LYS 134 3.106 41.753 59.498 1.00106.93 O ATOM 243 N GLU 135 1.684 40.213 60.360 1.00 40.01 N ATOM 244 CA GLU 135 2.434 40.107 61.568 1.00 40.01 C ATOM 245 CB GLU 135 1.627 39.550 62.759 1.00 40.01 C ATOM 246 CG GLU 135 0.522 40.498 63.243 1.00 40.01 C ATOM 247 CD GLU 135 0.129 40.123 64.667 1.00 40.01 C ATOM 248 OE1 GLU 135 0.800 40.633 65.606 1.00 40.01 O ATOM 249 OE2 GLU 135 -0.831 39.324 64.831 1.00 40.01 O ATOM 250 C GLU 135 3.552 39.129 61.236 1.00 40.01 C ATOM 251 O GLU 135 3.227 37.927 61.033 1.00 40.01 O ATOM 252 OXT GLU 135 4.732 39.568 61.150 1.00 40.01 O