EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:19:32 REMARK 6 MODELLER OBJECTIVE FUNCTION: 97.8745 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 60.000 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1559.90173 REMARK 6 GA341 score: 0.99613 REMARK 6 Normalized DOPE score: -2.01621 REMARK 6 TEMPLATE: 2i13A02 79:A - 103:A MODELS 1: - 25: AT 60.0% ATOM 1 N LYS 105 -7.889 18.209 51.508 1.00129.31 N ATOM 2 CA LYS 105 -8.985 18.201 52.503 1.00129.31 C ATOM 3 CB LYS 105 -10.264 17.563 51.917 1.00129.31 C ATOM 4 CG LYS 105 -10.148 16.071 51.584 1.00129.31 C ATOM 5 CD LYS 105 -9.099 15.752 50.516 1.00129.31 C ATOM 6 CE LYS 105 -8.975 14.258 50.193 1.00129.31 C ATOM 7 NZ LYS 105 -8.469 13.530 51.381 1.00129.31 N ATOM 8 C LYS 105 -8.582 17.458 53.732 1.00129.31 C ATOM 9 O LYS 105 -7.653 16.653 53.706 1.00129.31 O ATOM 10 N CYS 106 -9.268 17.742 54.856 1.00 92.75 N ATOM 11 CA CYS 106 -8.937 17.088 56.087 1.00 92.75 C ATOM 12 CB CYS 106 -9.574 17.732 57.328 1.00 92.75 C ATOM 13 SG CYS 106 -8.959 19.412 57.606 1.00 92.75 S ATOM 14 C CYS 106 -9.430 15.691 56.009 1.00 92.75 C ATOM 15 O CYS 106 -10.556 15.440 55.586 1.00 92.75 O ATOM 16 N ASP 107 -8.580 14.733 56.413 1.00 42.08 N ATOM 17 CA ASP 107 -8.980 13.364 56.373 1.00 42.08 C ATOM 18 CB ASP 107 -7.853 12.404 56.793 1.00 42.08 C ATOM 19 CG ASP 107 -6.748 12.486 55.755 1.00 42.08 C ATOM 20 OD1 ASP 107 -7.076 12.711 54.560 1.00 42.08 O ATOM 21 OD2 ASP 107 -5.561 12.325 56.149 1.00 42.08 O ATOM 22 C ASP 107 -10.102 13.169 57.345 1.00 42.08 C ATOM 23 O ASP 107 -11.087 12.502 57.031 1.00 42.08 O ATOM 24 N GLU 108 -9.980 13.734 58.567 1.00 84.46 N ATOM 25 CA GLU 108 -11.000 13.440 59.535 1.00 84.46 C ATOM 26 CB GLU 108 -10.676 13.914 60.965 1.00 84.46 C ATOM 27 CG GLU 108 -11.705 13.392 61.977 1.00 84.46 C ATOM 28 CD GLU 108 -11.409 13.972 63.350 1.00 84.46 C ATOM 29 OE1 GLU 108 -10.483 13.457 64.030 1.00 84.46 O ATOM 30 OE2 GLU 108 -12.111 14.943 63.735 1.00 84.46 O ATOM 31 C GLU 108 -12.331 14.041 59.193 1.00 84.46 C ATOM 32 O GLU 108 -13.300 13.316 58.981 1.00 84.46 O ATOM 33 N CYS 109 -12.407 15.387 59.149 1.00 60.93 N ATOM 34 CA CYS 109 -13.641 16.094 58.915 1.00 60.93 C ATOM 35 CB CYS 109 -13.593 17.554 59.402 1.00 60.93 C ATOM 36 SG CYS 109 -12.240 18.506 58.655 1.00 60.93 S ATOM 37 C CYS 109 -14.059 16.079 57.475 1.00 60.93 C ATOM 38 O CYS 109 -15.243 15.962 57.166 1.00 60.93 O ATOM 39 N GLY 110 -13.096 16.197 56.543 1.00 24.53 N ATOM 40 CA GLY 110 -13.455 16.273 55.157 1.00 24.53 C ATOM 41 C GLY 110 -13.560 17.723 54.782 1.00 24.53 C ATOM 42 O GLY 110 -14.014 18.056 53.688 1.00 24.53 O ATOM 43 N LYS 111 -13.155 18.630 55.694 1.00106.54 N ATOM 44 CA LYS 111 -13.191 20.039 55.408 1.00106.54 C ATOM 45 CB LYS 111 -13.012 20.918 56.658 1.00106.54 C ATOM 46 CG LYS 111 -13.162 22.415 56.387 1.00106.54 C ATOM 47 CD LYS 111 -13.251 23.262 57.658 1.00106.54 C ATOM 48 CE LYS 111 -14.605 23.167 58.358 1.00106.54 C ATOM 49 NZ LYS 111 -15.650 23.787 57.514 1.00106.54 N ATOM 50 C LYS 111 -12.069 20.348 54.463 1.00106.54 C ATOM 51 O LYS 111 -10.996 19.750 54.537 1.00106.54 O ATOM 52 N SER 112 -12.292 21.310 53.540 1.00 49.29 N ATOM 53 CA SER 112 -11.286 21.628 52.563 1.00 49.29 C ATOM 54 CB SER 112 -11.805 21.607 51.113 1.00 49.29 C ATOM 55 OG SER 112 -12.180 20.289 50.742 1.00 49.29 O ATOM 56 C SER 112 -10.763 23.006 52.830 1.00 49.29 C ATOM 57 O SER 112 -11.462 23.859 53.375 1.00 49.29 O ATOM 58 N PHE 113 -9.490 23.249 52.447 1.00136.48 N ATOM 59 CA PHE 113 -8.870 24.522 52.692 1.00136.48 C ATOM 60 CB PHE 113 -7.815 24.474 53.811 1.00136.48 C ATOM 61 CG PHE 113 -8.541 24.235 55.090 1.00136.48 C ATOM 62 CD1 PHE 113 -8.801 22.955 55.527 1.00136.48 C ATOM 63 CD2 PHE 113 -8.972 25.296 55.853 1.00136.48 C ATOM 64 CE1 PHE 113 -9.476 22.741 56.706 1.00136.48 C ATOM 65 CE2 PHE 113 -9.647 25.088 57.032 1.00136.48 C ATOM 66 CZ PHE 113 -9.899 23.808 57.464 1.00136.48 C ATOM 67 C PHE 113 -8.170 24.977 51.451 1.00136.48 C ATOM 68 O PHE 113 -7.811 24.179 50.586 1.00136.48 O ATOM 69 N THR 114 -7.984 26.307 51.340 1.00 98.19 N ATOM 70 CA THR 114 -7.333 26.909 50.215 1.00 98.19 C ATOM 71 CB THR 114 -7.341 28.409 50.274 1.00 98.19 C ATOM 72 OG1 THR 114 -6.618 28.855 51.412 1.00 98.19 O ATOM 73 CG2 THR 114 -8.798 28.898 50.343 1.00 98.19 C ATOM 74 C THR 114 -5.899 26.480 50.191 1.00 98.19 C ATOM 75 O THR 114 -5.373 26.146 49.131 1.00 98.19 O ATOM 76 N ARG 115 -5.223 26.457 51.359 1.00153.03 N ATOM 77 CA ARG 115 -3.819 26.161 51.312 1.00153.03 C ATOM 78 CB ARG 115 -2.932 27.390 51.571 1.00153.03 C ATOM 79 CG ARG 115 -1.434 27.112 51.446 1.00153.03 C ATOM 80 CD ARG 115 -0.578 28.370 51.594 1.00153.03 C ATOM 81 NE ARG 115 -1.207 29.184 52.670 1.00153.03 N ATOM 82 CZ ARG 115 -0.436 29.813 53.603 1.00153.03 C ATOM 83 NH1 ARG 115 0.924 29.695 53.563 1.00153.03 N ATOM 84 NH2 ARG 115 -1.024 30.552 54.586 1.00153.03 N ATOM 85 C ARG 115 -3.453 25.094 52.300 1.00153.03 C ATOM 86 O ARG 115 -4.159 24.839 53.276 1.00153.03 O ATOM 87 N LYS 116 -2.296 24.443 52.038 1.00 91.70 N ATOM 88 CA LYS 116 -1.792 23.346 52.815 1.00 91.70 C ATOM 89 CB LYS 116 -0.458 22.770 52.296 1.00 91.70 C ATOM 90 CG LYS 116 -0.530 21.992 50.976 1.00 91.70 C ATOM 91 CD LYS 116 0.853 21.630 50.422 1.00 91.70 C ATOM 92 CE LYS 116 1.632 20.651 51.308 1.00 91.70 C ATOM 93 NZ LYS 116 2.961 20.369 50.715 1.00 91.70 N ATOM 94 C LYS 116 -1.513 23.782 54.220 1.00 91.70 C ATOM 95 O LYS 116 -1.838 23.071 55.169 1.00 91.70 O ATOM 96 N GLY 117 -0.910 24.972 54.398 1.00 18.20 N ATOM 97 CA GLY 117 -0.509 25.407 55.710 1.00 18.20 C ATOM 98 C GLY 117 -1.705 25.523 56.600 1.00 18.20 C ATOM 99 O GLY 117 -1.646 25.182 57.781 1.00 18.20 O ATOM 100 N ASN 118 -2.822 26.037 56.058 1.00 32.06 N ATOM 101 CA ASN 118 -4.011 26.217 56.839 1.00 32.06 C ATOM 102 CB ASN 118 -5.131 26.922 56.056 1.00 32.06 C ATOM 103 CG ASN 118 -4.672 28.344 55.764 1.00 32.06 C ATOM 104 OD1 ASN 118 -3.573 28.748 56.140 1.00 32.06 O ATOM 105 ND2 ASN 118 -5.547 29.129 55.081 1.00 32.06 N ATOM 106 C ASN 118 -4.519 24.871 57.256 1.00 32.06 C ATOM 107 O ASN 118 -4.988 24.689 58.379 1.00 32.06 O ATOM 108 N PHE 119 -4.432 23.888 56.344 1.00 49.82 N ATOM 109 CA PHE 119 -4.888 22.548 56.577 1.00 49.82 C ATOM 110 CB PHE 119 -4.665 21.677 55.328 1.00 49.82 C ATOM 111 CG PHE 119 -4.873 20.249 55.683 1.00 49.82 C ATOM 112 CD1 PHE 119 -6.133 19.705 55.727 1.00 49.82 C ATOM 113 CD2 PHE 119 -3.788 19.449 55.959 1.00 49.82 C ATOM 114 CE1 PHE 119 -6.299 18.382 56.052 1.00 49.82 C ATOM 115 CE2 PHE 119 -3.952 18.124 56.285 1.00 49.82 C ATOM 116 CZ PHE 119 -5.214 17.587 56.332 1.00 49.82 C ATOM 117 C PHE 119 -4.115 21.951 57.711 1.00 49.82 C ATOM 118 O PHE 119 -4.686 21.339 58.614 1.00 49.82 O ATOM 119 N GLU 120 -2.785 22.143 57.712 1.00 93.81 N ATOM 120 CA GLU 120 -1.947 21.532 58.707 1.00 93.81 C ATOM 121 CB GLU 120 -0.458 21.854 58.501 1.00 93.81 C ATOM 122 CG GLU 120 0.480 20.922 59.268 1.00 93.81 C ATOM 123 CD GLU 120 0.559 19.612 58.493 1.00 93.81 C ATOM 124 OE1 GLU 120 -0.130 19.500 57.443 1.00 93.81 O ATOM 125 OE2 GLU 120 1.314 18.708 58.940 1.00 93.81 O ATOM 126 C GLU 120 -2.333 22.031 60.064 1.00 93.81 C ATOM 127 O GLU 120 -2.378 21.270 61.030 1.00 93.81 O ATOM 128 N LYS 121 -2.611 23.341 60.169 1.00 69.29 N ATOM 129 CA LYS 121 -2.965 23.946 61.419 1.00 69.29 C ATOM 130 CB LYS 121 -3.129 25.468 61.272 1.00 69.29 C ATOM 131 CG LYS 121 -3.358 26.243 62.568 1.00 69.29 C ATOM 132 CD LYS 121 -3.160 27.747 62.365 1.00 69.29 C ATOM 133 CE LYS 121 -3.529 28.607 63.572 1.00 69.29 C ATOM 134 NZ LYS 121 -3.332 30.036 63.238 1.00 69.29 N ATOM 135 C LYS 121 -4.269 23.366 61.875 1.00 69.29 C ATOM 136 O LYS 121 -4.459 23.091 63.059 1.00 69.29 O ATOM 137 N HIS 122 -5.203 23.158 60.930 1.00 58.77 N ATOM 138 CA HIS 122 -6.506 22.648 61.247 1.00 58.77 C ATOM 139 ND1 HIS 122 -9.732 22.934 61.089 1.00 58.77 N ATOM 140 CG HIS 122 -8.818 22.138 60.437 1.00 58.77 C ATOM 141 CB HIS 122 -7.448 22.584 60.034 1.00 58.77 C ATOM 142 NE2 HIS 122 -10.699 20.951 60.815 1.00 58.77 N ATOM 143 CD2 HIS 122 -9.427 20.931 60.277 1.00 58.77 C ATOM 144 CE1 HIS 122 -10.840 22.175 61.291 1.00 58.77 C ATOM 145 C HIS 122 -6.377 21.260 61.791 1.00 58.77 C ATOM 146 O HIS 122 -7.096 20.881 62.713 1.00 58.77 O ATOM 147 N MET 123 -5.429 20.478 61.243 1.00111.71 N ATOM 148 CA MET 123 -5.222 19.108 61.626 1.00111.71 C ATOM 149 CB MET 123 -4.031 18.458 60.900 1.00111.71 C ATOM 150 CG MET 123 -3.708 17.049 61.404 1.00111.71 C ATOM 151 SD MET 123 -2.255 16.272 60.630 1.00111.71 S ATOM 152 CE MET 123 -2.083 14.964 61.879 1.00111.71 C ATOM 153 C MET 123 -4.891 19.057 63.082 1.00111.71 C ATOM 154 O MET 123 -5.312 18.141 63.787 1.00111.71 O ATOM 155 N ARG 124 -4.128 20.048 63.572 1.00 89.91 N ATOM 156 CA ARG 124 -3.718 20.045 64.945 1.00 89.91 C ATOM 157 CB ARG 124 -2.777 21.200 65.328 1.00 89.91 C ATOM 158 CG ARG 124 -1.361 21.032 64.775 1.00 89.91 C ATOM 159 CD ARG 124 -0.313 21.857 65.526 1.00 89.91 C ATOM 160 NE ARG 124 -0.707 23.289 65.431 1.00 89.91 N ATOM 161 CZ ARG 124 -0.422 24.137 66.462 1.00 89.91 C ATOM 162 NH1 ARG 124 0.189 23.658 67.585 1.00 89.91 N ATOM 163 NH2 ARG 124 -0.742 25.460 66.360 1.00 89.91 N ATOM 164 C ARG 124 -4.928 20.103 65.822 1.00 89.91 C ATOM 165 O ARG 124 -4.910 19.614 66.949 1.00 89.91 O ATOM 166 N THR 125 -6.016 20.728 65.348 1.00 98.26 N ATOM 167 CA THR 125 -7.191 20.827 66.165 1.00 98.26 C ATOM 168 CB THR 125 -8.334 21.481 65.448 1.00 98.26 C ATOM 169 OG1 THR 125 -7.977 22.789 65.030 1.00 98.26 O ATOM 170 CG2 THR 125 -9.542 21.529 66.393 1.00 98.26 C ATOM 171 C THR 125 -7.669 19.449 66.524 1.00 98.26 C ATOM 172 O THR 125 -7.959 19.175 67.688 1.00 98.26 O ATOM 173 N HIS 126 -7.766 18.543 65.529 1.00 55.50 N ATOM 174 CA HIS 126 -8.292 17.227 65.775 1.00 55.50 C ATOM 175 ND1 HIS 126 -10.769 17.239 63.810 1.00 55.50 N ATOM 176 CG HIS 126 -9.431 17.062 63.542 1.00 55.50 C ATOM 177 CB HIS 126 -8.470 16.405 64.488 1.00 55.50 C ATOM 178 NE2 HIS 126 -10.404 18.130 61.808 1.00 55.50 N ATOM 179 CD2 HIS 126 -9.224 17.612 62.313 1.00 55.50 C ATOM 180 CE1 HIS 126 -11.303 17.882 62.742 1.00 55.50 C ATOM 181 C HIS 126 -7.386 16.471 66.696 1.00 55.50 C ATOM 182 O HIS 126 -7.836 15.857 67.663 1.00 55.50 O ATOM 183 N THR 127 -6.070 16.521 66.434 1.00 96.32 N ATOM 184 CA THR 127 -5.129 15.818 67.257 1.00 96.32 C ATOM 185 CB THR 127 -3.713 15.944 66.770 1.00 96.32 C ATOM 186 OG1 THR 127 -2.847 15.139 67.553 1.00 96.32 O ATOM 187 CG2 THR 127 -3.285 17.413 66.861 1.00 96.32 C ATOM 188 C THR 127 -5.216 16.419 68.617 1.00 96.32 C ATOM 189 O THR 127 -5.049 15.741 69.629 1.00 96.32 O ATOM 190 N ARG 128 -5.509 17.728 68.665 1.00 83.96 N ATOM 191 CA ARG 128 -5.585 18.420 69.909 1.00 83.96 C ATOM 192 CB ARG 128 -6.498 17.705 70.923 1.00 83.96 C ATOM 193 CG ARG 128 -7.965 17.664 70.483 1.00 83.96 C ATOM 194 CD ARG 128 -8.879 16.850 71.405 1.00 83.96 C ATOM 195 NE ARG 128 -9.298 17.732 72.530 1.00 83.96 N ATOM 196 CZ ARG 128 -9.099 17.329 73.817 1.00 83.96 C ATOM 197 NH1 ARG 128 -8.462 16.148 74.068 1.00 83.96 N ATOM 198 NH2 ARG 128 -9.535 18.109 74.849 1.00 83.96 N ATOM 199 C ARG 128 -4.204 18.481 70.457 1.00 83.96 C ATOM 200 O ARG 128 -4.003 18.522 71.669 1.00 83.96 O ATOM 201 N GLU 129 -3.206 18.496 69.551 1.00 73.60 N ATOM 202 CA GLU 129 -1.851 18.615 69.988 1.00 73.60 C ATOM 203 CB GLU 129 -0.829 17.950 69.051 1.00 73.60 C ATOM 204 CG GLU 129 -0.721 18.608 67.676 1.00 73.60 C ATOM 205 CD GLU 129 0.322 17.845 66.872 1.00 73.60 C ATOM 206 OE1 GLU 129 0.821 16.806 67.380 1.00 73.60 O ATOM 207 OE2 GLU 129 0.626 18.280 65.730 1.00 73.60 O ATOM 208 C GLU 129 -1.548 20.109 70.047 1.00 73.60 C ATOM 209 O GLU 129 -1.724 20.798 69.006 1.00 73.60 O ATOM 210 OXT GLU 129 -1.146 20.582 71.143 1.00 73.60 O