EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:08:32 REMARK 6 MODELLER OBJECTIVE FUNCTION: 116.9883 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 59.259 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1879.69446 REMARK 6 GA341 score: 0.99587 REMARK 6 Normalized DOPE score: -0.54737 REMARK 6 TEMPLATE: 2i13A02 75:A - 101:A MODELS 1: - 27: AT 59.3% ATOM 1 N GLU 121 -20.447 27.410 47.084 1.00 55.04 N ATOM 2 CA GLU 121 -20.133 28.706 47.721 1.00 55.04 C ATOM 3 CB GLU 121 -21.194 29.751 47.338 1.00 55.04 C ATOM 4 CG GLU 121 -22.612 29.391 47.793 1.00 55.04 C ATOM 5 CD GLU 121 -23.549 30.509 47.353 1.00 55.04 C ATOM 6 OE1 GLU 121 -23.233 31.692 47.648 1.00 55.04 O ATOM 7 OE2 GLU 121 -24.590 30.192 46.716 1.00 55.04 O ATOM 8 C GLU 121 -20.077 28.594 49.214 1.00 55.04 C ATOM 9 O GLU 121 -20.360 27.539 49.780 1.00 55.04 O ATOM 10 N LYS 122 -19.667 29.690 49.892 1.00 71.86 N ATOM 11 CA LYS 122 -19.603 29.666 51.326 1.00 71.86 C ATOM 12 CB LYS 122 -18.209 30.009 51.871 1.00 71.86 C ATOM 13 CG LYS 122 -17.162 28.961 51.495 1.00 71.86 C ATOM 14 CD LYS 122 -15.718 29.424 51.689 1.00 71.86 C ATOM 15 CE LYS 122 -14.689 28.360 51.310 1.00 71.86 C ATOM 16 NZ LYS 122 -14.638 28.201 49.841 1.00 71.86 N ATOM 17 C LYS 122 -20.567 30.687 51.837 1.00 71.86 C ATOM 18 O LYS 122 -20.277 31.881 51.918 1.00 71.86 O ATOM 19 N PRO 123 -21.721 30.190 52.169 1.00115.37 N ATOM 20 CA PRO 123 -22.810 30.995 52.650 1.00115.37 C ATOM 21 CD PRO 123 -22.189 28.968 51.540 1.00115.37 C ATOM 22 CB PRO 123 -24.073 30.150 52.464 1.00115.37 C ATOM 23 CG PRO 123 -23.563 28.727 52.172 1.00115.37 C ATOM 24 C PRO 123 -22.671 31.539 54.036 1.00115.37 C ATOM 25 O PRO 123 -23.409 32.465 54.366 1.00115.37 O ATOM 26 N PHE 124 -21.769 31.003 54.880 1.00 63.25 N ATOM 27 CA PHE 124 -21.772 31.493 56.232 1.00 63.25 C ATOM 28 CB PHE 124 -21.602 30.377 57.281 1.00 63.25 C ATOM 29 CG PHE 124 -22.610 29.321 56.963 1.00 63.25 C ATOM 30 CD1 PHE 124 -23.937 29.450 57.307 1.00 63.25 C ATOM 31 CD2 PHE 124 -22.202 28.183 56.307 1.00 63.25 C ATOM 32 CE1 PHE 124 -24.836 28.457 56.992 1.00 63.25 C ATOM 33 CE2 PHE 124 -23.095 27.190 55.992 1.00 63.25 C ATOM 34 CZ PHE 124 -24.418 27.325 56.332 1.00 63.25 C ATOM 35 C PHE 124 -20.618 32.433 56.408 1.00 63.25 C ATOM 36 O PHE 124 -19.463 32.040 56.256 1.00 63.25 O ATOM 37 N THR 125 -20.895 33.705 56.768 1.00102.85 N ATOM 38 CA THR 125 -19.815 34.642 56.913 1.00102.85 C ATOM 39 CB THR 125 -19.950 35.861 56.045 1.00102.85 C ATOM 40 OG1 THR 125 -18.791 36.674 56.156 1.00102.85 O ATOM 41 CG2 THR 125 -21.203 36.640 56.479 1.00102.85 C ATOM 42 C THR 125 -19.737 35.088 58.342 1.00102.85 C ATOM 43 O THR 125 -20.749 35.273 59.017 1.00102.85 O ATOM 44 N CYS 126 -18.494 35.234 58.846 1.00 44.67 N ATOM 45 CA CYS 126 -18.251 35.662 60.196 1.00 44.67 C ATOM 46 CB CYS 126 -16.819 35.344 60.668 1.00 44.67 C ATOM 47 SG CYS 126 -16.491 35.887 62.371 1.00 44.67 S ATOM 48 C CYS 126 -18.440 37.144 60.257 1.00 44.67 C ATOM 49 O CYS 126 -17.830 37.894 59.498 1.00 44.67 O ATOM 50 N THR 127 -19.279 37.615 61.194 1.00107.45 N ATOM 51 CA THR 127 -19.536 39.024 61.261 1.00107.45 C ATOM 52 CB THR 127 -20.613 39.399 62.244 1.00107.45 C ATOM 53 OG1 THR 127 -20.957 40.768 62.085 1.00107.45 O ATOM 54 CG2 THR 127 -20.108 39.156 63.675 1.00107.45 C ATOM 55 C THR 127 -18.287 39.756 61.645 1.00107.45 C ATOM 56 O THR 127 -18.041 40.858 61.156 1.00107.45 O ATOM 57 N GLN 128 -17.482 39.199 62.571 1.00 91.05 N ATOM 58 CA GLN 128 -16.369 40.001 62.985 1.00 91.05 C ATOM 59 CB GLN 128 -15.731 39.533 64.303 1.00 91.05 C ATOM 60 CG GLN 128 -14.724 40.547 64.852 1.00 91.05 C ATOM 61 CD GLN 128 -14.539 40.278 66.336 1.00 91.05 C ATOM 62 OE1 GLN 128 -15.512 40.192 67.083 1.00 91.05 O ATOM 63 NE2 GLN 128 -13.261 40.150 66.782 1.00 91.05 N ATOM 64 C GLN 128 -15.283 40.147 61.947 1.00 91.05 C ATOM 65 O GLN 128 -14.925 41.271 61.600 1.00 91.05 O ATOM 66 N CYS 129 -14.697 39.027 61.461 1.00 68.92 N ATOM 67 CA CYS 129 -13.620 39.073 60.494 1.00 68.92 C ATOM 68 CB CYS 129 -12.683 37.855 60.561 1.00 68.92 C ATOM 69 SG CYS 129 -13.531 36.299 60.184 1.00 68.92 S ATOM 70 C CYS 129 -14.090 39.236 59.075 1.00 68.92 C ATOM 71 O CYS 129 -13.452 39.924 58.280 1.00 68.92 O ATOM 72 N GLY 130 -15.219 38.599 58.706 1.00 31.47 N ATOM 73 CA GLY 130 -15.684 38.674 57.348 1.00 31.47 C ATOM 74 C GLY 130 -15.304 37.422 56.600 1.00 31.47 C ATOM 75 O GLY 130 -15.578 37.309 55.406 1.00 31.47 O ATOM 76 N LYS 131 -14.658 36.447 57.271 1.00 82.10 N ATOM 77 CA LYS 131 -14.272 35.225 56.615 1.00 82.10 C ATOM 78 CB LYS 131 -13.266 34.402 57.443 1.00 82.10 C ATOM 79 CG LYS 131 -12.756 33.143 56.744 1.00 82.10 C ATOM 80 CD LYS 131 -11.512 32.541 57.403 1.00 82.10 C ATOM 81 CE LYS 131 -11.101 31.188 56.819 1.00 82.10 C ATOM 82 NZ LYS 131 -10.725 31.341 55.395 1.00 82.10 N ATOM 83 C LYS 131 -15.504 34.394 56.377 1.00 82.10 C ATOM 84 O LYS 131 -16.414 34.360 57.203 1.00 82.10 O ATOM 85 N SER 132 -15.560 33.688 55.226 1.00 97.78 N ATOM 86 CA SER 132 -16.730 32.916 54.899 1.00 97.78 C ATOM 87 CB SER 132 -17.350 33.273 53.537 1.00 97.78 C ATOM 88 OG SER 132 -16.383 33.158 52.505 1.00 97.78 O ATOM 89 C SER 132 -16.397 31.457 54.908 1.00 97.78 C ATOM 90 O SER 132 -15.266 31.063 54.631 1.00 97.78 O ATOM 91 N PHE 133 -17.405 30.618 55.237 1.00159.30 N ATOM 92 CA PHE 133 -17.198 29.204 55.382 1.00159.30 C ATOM 93 CB PHE 133 -17.378 28.738 56.836 1.00159.30 C ATOM 94 CG PHE 133 -16.260 29.261 57.673 1.00159.30 C ATOM 95 CD1 PHE 133 -16.319 30.512 58.243 1.00159.30 C ATOM 96 CD2 PHE 133 -15.146 28.480 57.894 1.00159.30 C ATOM 97 CE1 PHE 133 -15.275 30.978 59.012 1.00159.30 C ATOM 98 CE2 PHE 133 -14.102 28.939 58.663 1.00159.30 C ATOM 99 CZ PHE 133 -14.167 30.189 59.228 1.00159.30 C ATOM 100 C PHE 133 -18.223 28.448 54.596 1.00159.30 C ATOM 101 O PHE 133 -19.358 28.888 54.411 1.00159.30 O ATOM 102 N SER 134 -17.810 27.269 54.097 1.00 45.18 N ATOM 103 CA SER 134 -18.692 26.394 53.393 1.00 45.18 C ATOM 104 CB SER 134 -17.937 25.326 52.582 1.00 45.18 C ATOM 105 OG SER 134 -17.016 24.630 53.405 1.00 45.18 O ATOM 106 C SER 134 -19.625 25.734 54.366 1.00 45.18 C ATOM 107 O SER 134 -20.763 25.422 54.015 1.00 45.18 O ATOM 108 N LEU 135 -19.182 25.505 55.625 1.00 90.64 N ATOM 109 CA LEU 135 -20.036 24.814 56.561 1.00 90.64 C ATOM 110 CB LEU 135 -19.451 23.494 57.099 1.00 90.64 C ATOM 111 CG LEU 135 -19.244 22.386 56.045 1.00 90.64 C ATOM 112 CD1 LEU 135 -20.565 22.032 55.345 1.00 90.64 C ATOM 113 CD2 LEU 135 -18.093 22.701 55.083 1.00 90.64 C ATOM 114 C LEU 135 -20.326 25.670 57.766 1.00 90.64 C ATOM 115 O LEU 135 -19.472 26.407 58.256 1.00 90.64 O ATOM 116 N SER 136 -21.572 25.567 58.277 1.00 68.16 N ATOM 117 CA SER 136 -22.048 26.318 59.405 1.00 68.16 C ATOM 118 CB SER 136 -23.539 26.056 59.706 1.00 68.16 C ATOM 119 OG SER 136 -23.973 26.874 60.783 1.00 68.16 O ATOM 120 C SER 136 -21.271 25.916 60.618 1.00 68.16 C ATOM 121 O SER 136 -20.890 26.759 61.427 1.00 68.16 O ATOM 122 N SER 137 -21.002 24.607 60.769 1.00 61.45 N ATOM 123 CA SER 137 -20.323 24.120 61.932 1.00 61.45 C ATOM 124 CB SER 137 -20.155 22.593 61.905 1.00 61.45 C ATOM 125 OG SER 137 -19.482 22.153 63.074 1.00 61.45 O ATOM 126 C SER 137 -18.963 24.731 61.984 1.00 61.45 C ATOM 127 O SER 137 -18.468 25.070 63.057 1.00 61.45 O ATOM 128 N ASN 138 -18.320 24.889 60.812 1.00 43.26 N ATOM 129 CA ASN 138 -16.997 25.439 60.763 1.00 43.26 C ATOM 130 CB ASN 138 -16.414 25.530 59.339 1.00 43.26 C ATOM 131 CG ASN 138 -16.030 24.153 58.826 1.00 43.26 C ATOM 132 OD1 ASN 138 -16.167 23.146 59.518 1.00 43.26 O ATOM 133 ND2 ASN 138 -15.506 24.116 57.573 1.00 43.26 N ATOM 134 C ASN 138 -17.049 26.848 61.250 1.00 43.26 C ATOM 135 O ASN 138 -16.190 27.272 62.020 1.00 43.26 O ATOM 136 N LEU 139 -18.063 27.618 60.813 1.00 68.19 N ATOM 137 CA LEU 139 -18.085 29.000 61.191 1.00 68.19 C ATOM 138 CB LEU 139 -19.192 29.833 60.532 1.00 68.19 C ATOM 139 CG LEU 139 -19.101 31.301 60.984 1.00 68.19 C ATOM 140 CD1 LEU 139 -17.732 31.903 60.626 1.00 68.19 C ATOM 141 CD2 LEU 139 -20.245 32.141 60.421 1.00 68.19 C ATOM 142 C LEU 139 -18.256 29.117 62.671 1.00 68.19 C ATOM 143 O LEU 139 -17.625 29.961 63.304 1.00 68.19 O ATOM 144 N ILE 140 -19.099 28.259 63.274 1.00 83.62 N ATOM 145 CA ILE 140 -19.348 28.359 64.684 1.00 83.62 C ATOM 146 CB ILE 140 -20.306 27.326 65.198 1.00 83.62 C ATOM 147 CG1 ILE 140 -21.679 27.499 64.526 1.00 83.62 C ATOM 148 CG2 ILE 140 -20.348 27.449 66.730 1.00 83.62 C ATOM 149 CD1 ILE 140 -22.295 28.880 64.765 1.00 83.62 C ATOM 150 C ILE 140 -18.055 28.183 65.413 1.00 83.62 C ATOM 151 O ILE 140 -17.777 28.904 66.370 1.00 83.62 O ATOM 152 N LYS 141 -17.226 27.216 64.982 1.00 81.40 N ATOM 153 CA LYS 141 -15.972 26.983 65.637 1.00 81.40 C ATOM 154 CB LYS 141 -15.188 25.815 65.015 1.00 81.40 C ATOM 155 CG LYS 141 -15.832 24.450 65.252 1.00 81.40 C ATOM 156 CD LYS 141 -15.897 24.090 66.736 1.00 81.40 C ATOM 157 CE LYS 141 -16.670 22.809 67.043 1.00 81.40 C ATOM 158 NZ LYS 141 -16.545 22.489 68.482 1.00 81.40 N ATOM 159 C LYS 141 -15.129 28.215 65.502 1.00 81.40 C ATOM 160 O LYS 141 -14.492 28.645 66.462 1.00 81.40 O ATOM 161 N HIS 142 -15.129 28.835 64.308 1.00 58.43 N ATOM 162 CA HIS 142 -14.312 29.987 64.068 1.00 58.43 C ATOM 163 ND1 HIS 142 -12.251 31.729 62.186 1.00 58.43 N ATOM 164 CG HIS 142 -13.612 31.741 62.401 1.00 58.43 C ATOM 165 CB HIS 142 -14.445 30.515 62.633 1.00 58.43 C ATOM 166 NE2 HIS 142 -12.883 33.860 62.132 1.00 58.43 N ATOM 167 CD2 HIS 142 -13.982 33.050 62.364 1.00 58.43 C ATOM 168 CE1 HIS 142 -11.869 33.022 62.031 1.00 58.43 C ATOM 169 C HIS 142 -14.716 31.098 64.984 1.00 58.43 C ATOM 170 O HIS 142 -13.870 31.796 65.541 1.00 58.43 O ATOM 171 N MET 143 -16.030 31.271 65.191 1.00116.65 N ATOM 172 CA MET 143 -16.544 32.353 65.980 1.00116.65 C ATOM 173 CB MET 143 -18.080 32.337 66.046 1.00116.65 C ATOM 174 CG MET 143 -18.665 33.486 66.863 1.00116.65 C ATOM 175 SD MET 143 -20.482 33.550 66.873 1.00116.65 S ATOM 176 CE MET 143 -20.657 34.164 65.174 1.00116.65 C ATOM 177 C MET 143 -16.016 32.244 67.378 1.00116.65 C ATOM 178 O MET 143 -15.714 33.250 68.019 1.00116.65 O ATOM 179 N ARG 144 -15.864 31.008 67.879 1.00140.12 N ATOM 180 CA ARG 144 -15.426 30.779 69.224 1.00140.12 C ATOM 181 CB ARG 144 -15.237 29.281 69.541 1.00140.12 C ATOM 182 CG ARG 144 -14.712 29.014 70.955 1.00140.12 C ATOM 183 CD ARG 144 -14.447 27.532 71.256 1.00140.12 C ATOM 184 NE ARG 144 -13.015 27.224 70.961 1.00140.12 N ATOM 185 CZ ARG 144 -12.530 25.957 71.140 1.00140.12 C ATOM 186 NH1 ARG 144 -13.356 24.948 71.545 1.00140.12 N ATOM 187 NH2 ARG 144 -11.209 25.695 70.916 1.00140.12 N ATOM 188 C ARG 144 -14.095 31.431 69.420 1.00140.12 C ATOM 189 O ARG 144 -13.850 32.036 70.462 1.00140.12 O ATOM 190 N ILE 145 -13.212 31.362 68.407 1.00127.06 N ATOM 191 CA ILE 145 -11.882 31.867 68.582 1.00127.06 C ATOM 192 CB ILE 145 -10.997 31.674 67.366 1.00127.06 C ATOM 193 CG1 ILE 145 -9.505 31.732 67.751 1.00127.06 C ATOM 194 CG2 ILE 145 -11.385 32.693 66.280 1.00127.06 C ATOM 195 CD1 ILE 145 -9.038 33.058 68.347 1.00127.06 C ATOM 196 C ILE 145 -11.961 33.324 68.921 1.00127.06 C ATOM 197 O ILE 145 -11.252 33.783 69.814 1.00127.06 O ATOM 198 N HIS 146 -12.843 34.089 68.247 1.00 41.25 N ATOM 199 CA HIS 146 -12.935 35.499 68.501 1.00 41.25 C ATOM 200 ND1 HIS 146 -12.842 37.299 65.672 1.00 41.25 N ATOM 201 CG HIS 146 -13.649 36.310 66.186 1.00 41.25 C ATOM 202 CB HIS 146 -14.004 36.196 67.641 1.00 41.25 C ATOM 203 NE2 HIS 146 -13.460 36.033 63.954 1.00 41.25 N ATOM 204 CD2 HIS 146 -14.017 35.544 65.123 1.00 41.25 C ATOM 205 CE1 HIS 146 -12.763 37.086 64.333 1.00 41.25 C ATOM 206 C HIS 146 -13.323 35.725 69.929 1.00 41.25 C ATOM 207 O HIS 146 -12.748 36.580 70.602 1.00 41.25 O ATOM 208 N THR 147 -14.314 34.971 70.439 1.00 14.71 N ATOM 209 CA THR 147 -14.736 35.194 71.793 1.00 14.71 C ATOM 210 CB THR 147 -16.029 34.510 72.139 1.00 14.71 C ATOM 211 OG1 THR 147 -15.893 33.100 72.046 1.00 14.71 O ATOM 212 CG2 THR 147 -17.116 35.003 71.168 1.00 14.71 C ATOM 213 C THR 147 -13.670 34.671 72.753 1.00 14.71 C ATOM 214 O THR 147 -12.465 34.981 72.549 1.00 14.71 O ATOM 215 OXT THR 147 -14.054 33.958 73.718 1.00 14.71 O