EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:11:02 REMARK 6 MODELLER OBJECTIVE FUNCTION: 96.8669 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 60.714 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1736.36487 REMARK 6 GA341 score: 0.99997 REMARK 6 Normalized DOPE score: -1.35647 REMARK 6 TEMPLATE: 2i13A02 75:A - 102:A MODELS 1: - 28: AT 60.7% ATOM 1 N GLU 143 -7.900 36.561 46.705 1.00 38.94 N ATOM 2 CA GLU 143 -7.330 36.184 48.017 1.00 38.94 C ATOM 3 CB GLU 143 -8.204 36.758 49.152 1.00 38.94 C ATOM 4 CG GLU 143 -7.556 36.736 50.541 1.00 38.94 C ATOM 5 CD GLU 143 -8.600 37.172 51.561 1.00 38.94 C ATOM 6 OE1 GLU 143 -9.265 38.216 51.325 1.00 38.94 O ATOM 7 OE2 GLU 143 -8.750 36.458 52.587 1.00 38.94 O ATOM 8 C GLU 143 -7.295 34.694 48.130 1.00 38.94 C ATOM 9 O GLU 143 -7.084 33.983 47.148 1.00 38.94 O ATOM 10 N LYS 144 -7.469 34.181 49.357 1.00 90.81 N ATOM 11 CA LYS 144 -7.496 32.765 49.540 1.00 90.81 C ATOM 12 CB LYS 144 -6.546 32.290 50.652 1.00 90.81 C ATOM 13 CG LYS 144 -5.084 32.637 50.357 1.00 90.81 C ATOM 14 CD LYS 144 -4.825 34.144 50.349 1.00 90.81 C ATOM 15 CE LYS 144 -3.394 34.532 49.976 1.00 90.81 C ATOM 16 NZ LYS 144 -3.266 36.007 49.936 1.00 90.81 N ATOM 17 C LYS 144 -8.892 32.452 49.965 1.00 90.81 C ATOM 18 O LYS 144 -9.298 32.712 51.098 1.00 90.81 O ATOM 19 N PRO 145 -9.633 31.920 49.044 1.00109.86 N ATOM 20 CA PRO 145 -11.012 31.616 49.297 1.00109.86 C ATOM 21 CD PRO 145 -9.407 32.283 47.653 1.00109.86 C ATOM 22 CB PRO 145 -11.655 31.414 47.927 1.00109.86 C ATOM 23 CG PRO 145 -10.794 32.280 46.993 1.00109.86 C ATOM 24 C PRO 145 -11.258 30.482 50.238 1.00109.86 C ATOM 25 O PRO 145 -12.374 30.389 50.744 1.00109.86 O ATOM 26 N TYR 146 -10.269 29.608 50.500 1.00 59.12 N ATOM 27 CA TYR 146 -10.590 28.478 51.327 1.00 59.12 C ATOM 28 CB TYR 146 -10.053 27.137 50.798 1.00 59.12 C ATOM 29 CG TYR 146 -10.776 26.822 49.537 1.00 59.12 C ATOM 30 CD1 TYR 146 -12.031 26.260 49.572 1.00 59.12 C ATOM 31 CD2 TYR 146 -10.194 27.086 48.319 1.00 59.12 C ATOM 32 CE1 TYR 146 -12.700 25.969 48.407 1.00 59.12 C ATOM 33 CE2 TYR 146 -10.857 26.796 47.151 1.00 59.12 C ATOM 34 CZ TYR 146 -12.110 26.236 47.194 1.00 59.12 C ATOM 35 OH TYR 146 -12.793 25.937 45.997 1.00 59.12 O ATOM 36 C TYR 146 -9.997 28.664 52.683 1.00 59.12 C ATOM 37 O TYR 146 -8.779 28.729 52.846 1.00 59.12 O ATOM 38 N SER 147 -10.869 28.721 53.709 1.00 34.92 N ATOM 39 CA SER 147 -10.384 28.943 55.036 1.00 34.92 C ATOM 40 CB SER 147 -11.068 30.126 55.741 1.00 34.92 C ATOM 41 OG SER 147 -10.761 31.334 55.059 1.00 34.92 O ATOM 42 C SER 147 -10.617 27.712 55.851 1.00 34.92 C ATOM 43 O SER 147 -11.629 27.027 55.704 1.00 34.92 O ATOM 44 N CYS 148 -9.637 27.389 56.719 1.00 41.46 N ATOM 45 CA CYS 148 -9.718 26.246 57.583 1.00 41.46 C ATOM 46 CB CYS 148 -8.350 25.836 58.158 1.00 41.46 C ATOM 47 SG CYS 148 -8.445 24.389 59.255 1.00 41.46 S ATOM 48 C CYS 148 -10.609 26.596 58.732 1.00 41.46 C ATOM 49 O CYS 148 -10.454 27.639 59.361 1.00 41.46 O ATOM 50 N SER 149 -11.569 25.704 59.043 1.00 34.94 N ATOM 51 CA SER 149 -12.490 25.961 60.108 1.00 34.94 C ATOM 52 CB SER 149 -13.582 24.882 60.208 1.00 34.94 C ATOM 53 OG SER 149 -13.001 23.627 60.529 1.00 34.94 O ATOM 54 C SER 149 -11.760 25.982 61.416 1.00 34.94 C ATOM 55 O SER 149 -12.067 26.792 62.293 1.00 34.94 O ATOM 56 N VAL 150 -10.795 25.062 61.603 1.00 62.79 N ATOM 57 CA VAL 150 -10.158 24.990 62.888 1.00 62.79 C ATOM 58 CB VAL 150 -9.262 23.793 63.023 1.00 62.79 C ATOM 59 CG1 VAL 150 -8.598 23.837 64.411 1.00 62.79 C ATOM 60 CG2 VAL 150 -10.094 22.523 62.775 1.00 62.79 C ATOM 61 C VAL 150 -9.324 26.202 63.211 1.00 62.79 C ATOM 62 O VAL 150 -9.622 26.921 64.162 1.00 62.79 O ATOM 63 N CYS 151 -8.230 26.422 62.447 1.00 68.88 N ATOM 64 CA CYS 151 -7.289 27.495 62.670 1.00 68.88 C ATOM 65 CB CYS 151 -5.900 27.189 62.090 1.00 68.88 C ATOM 66 SG CYS 151 -5.950 26.858 60.306 1.00 68.88 S ATOM 67 C CYS 151 -7.736 28.827 62.142 1.00 68.88 C ATOM 68 O CYS 151 -7.484 29.856 62.762 1.00 68.88 O ATOM 69 N GLY 152 -8.408 28.851 60.974 1.00 29.73 N ATOM 70 CA GLY 152 -8.783 30.108 60.394 1.00 29.73 C ATOM 71 C GLY 152 -7.768 30.491 59.349 1.00 29.73 C ATOM 72 O GLY 152 -7.824 31.590 58.800 1.00 29.73 O ATOM 73 N LYS 153 -6.803 29.598 59.044 1.00106.84 N ATOM 74 CA LYS 153 -5.802 29.887 58.048 1.00106.84 C ATOM 75 CB LYS 153 -4.600 28.926 58.126 1.00106.84 C ATOM 76 CG LYS 153 -3.415 29.316 57.237 1.00106.84 C ATOM 77 CD LYS 153 -2.091 28.681 57.681 1.00106.84 C ATOM 78 CE LYS 153 -1.937 27.199 57.335 1.00106.84 C ATOM 79 NZ LYS 153 -1.175 27.055 56.075 1.00106.84 N ATOM 80 C LYS 153 -6.438 29.772 56.691 1.00106.84 C ATOM 81 O LYS 153 -7.285 28.906 56.474 1.00106.84 O ATOM 82 N SER 154 -6.036 30.643 55.734 1.00 51.96 N ATOM 83 CA SER 154 -6.662 30.643 54.436 1.00 51.96 C ATOM 84 CB SER 154 -7.156 32.031 53.993 1.00 51.96 C ATOM 85 OG SER 154 -8.175 32.489 54.869 1.00 51.96 O ATOM 86 C SER 154 -5.694 30.170 53.391 1.00 51.96 C ATOM 87 O SER 154 -4.481 30.336 53.525 1.00 51.96 O ATOM 88 N PHE 155 -6.229 29.561 52.306 1.00145.09 N ATOM 89 CA PHE 155 -5.406 29.006 51.263 1.00145.09 C ATOM 90 CB PHE 155 -5.419 27.467 51.246 1.00145.09 C ATOM 91 CG PHE 155 -4.789 26.969 52.499 1.00145.09 C ATOM 92 CD1 PHE 155 -5.530 26.870 53.655 1.00145.09 C ATOM 93 CD2 PHE 155 -3.460 26.615 52.520 1.00145.09 C ATOM 94 CE1 PHE 155 -4.954 26.413 54.816 1.00145.09 C ATOM 95 CE2 PHE 155 -2.877 26.156 53.677 1.00145.09 C ATOM 96 CZ PHE 155 -3.628 26.055 54.824 1.00145.09 C ATOM 97 C PHE 155 -5.927 29.417 49.918 1.00145.09 C ATOM 98 O PHE 155 -7.117 29.669 49.731 1.00145.09 O ATOM 99 N THR 156 -5.009 29.503 48.938 1.00102.76 N ATOM 100 CA THR 156 -5.320 29.831 47.579 1.00102.76 C ATOM 101 CB THR 156 -4.089 30.076 46.757 1.00102.76 C ATOM 102 OG1 THR 156 -4.437 30.582 45.477 1.00102.76 O ATOM 103 CG2 THR 156 -3.316 28.755 46.621 1.00102.76 C ATOM 104 C THR 156 -6.080 28.699 46.944 1.00102.76 C ATOM 105 O THR 156 -6.978 28.932 46.135 1.00102.76 O ATOM 106 N GLN 157 -5.734 27.433 47.271 1.00 49.71 N ATOM 107 CA GLN 157 -6.412 26.339 46.622 1.00 49.71 C ATOM 108 CB GLN 157 -5.548 25.531 45.637 1.00 49.71 C ATOM 109 CG GLN 157 -5.230 26.284 44.342 1.00 49.71 C ATOM 110 CD GLN 157 -4.447 25.342 43.435 1.00 49.71 C ATOM 111 OE1 GLN 157 -3.424 24.788 43.830 1.00 49.71 O ATOM 112 NE2 GLN 157 -4.948 25.142 42.187 1.00 49.71 N ATOM 113 C GLN 157 -6.968 25.364 47.611 1.00 49.71 C ATOM 114 O GLN 157 -6.467 25.199 48.724 1.00 49.71 O ATOM 115 N THR 158 -8.041 24.673 47.174 1.00 98.94 N ATOM 116 CA THR 158 -8.775 23.719 47.953 1.00 98.94 C ATOM 117 CB THR 158 -9.980 23.182 47.232 1.00 98.94 C ATOM 118 OG1 THR 158 -10.740 22.351 48.095 1.00 98.94 O ATOM 119 CG2 THR 158 -9.527 22.395 45.988 1.00 98.94 C ATOM 120 C THR 158 -7.904 22.555 48.305 1.00 98.94 C ATOM 121 O THR 158 -7.949 22.064 49.432 1.00 98.94 O ATOM 122 N SER 159 -7.078 22.080 47.354 1.00 22.78 N ATOM 123 CA SER 159 -6.290 20.910 47.614 1.00 22.78 C ATOM 124 CB SER 159 -5.448 20.471 46.404 1.00 22.78 C ATOM 125 OG SER 159 -4.495 21.472 46.082 1.00 22.78 O ATOM 126 C SER 159 -5.354 21.192 48.742 1.00 22.78 C ATOM 127 O SER 159 -5.142 20.337 49.602 1.00 22.78 O ATOM 128 N SER 160 -4.774 22.406 48.772 1.00 25.74 N ATOM 129 CA SER 160 -3.832 22.748 49.798 1.00 25.74 C ATOM 130 CB SER 160 -3.196 24.135 49.594 1.00 25.74 C ATOM 131 OG SER 160 -2.420 24.147 48.403 1.00 25.74 O ATOM 132 C SER 160 -4.528 22.756 51.126 1.00 25.74 C ATOM 133 O SER 160 -3.971 22.301 52.123 1.00 25.74 O ATOM 134 N LEU 161 -5.773 23.270 51.174 1.00113.78 N ATOM 135 CA LEU 161 -6.511 23.338 52.405 1.00113.78 C ATOM 136 CB LEU 161 -7.861 24.069 52.229 1.00113.78 C ATOM 137 CG LEU 161 -8.781 24.085 53.468 1.00113.78 C ATOM 138 CD1 LEU 161 -9.489 22.738 53.660 1.00113.78 C ATOM 139 CD2 LEU 161 -8.022 24.517 54.731 1.00113.78 C ATOM 140 C LEU 161 -6.751 21.946 52.904 1.00113.78 C ATOM 141 O LEU 161 -6.603 21.670 54.093 1.00113.78 O ATOM 142 N ARG 162 -7.087 21.018 51.991 1.00128.54 N ATOM 143 CA ARG 162 -7.398 19.672 52.378 1.00128.54 C ATOM 144 CB ARG 162 -7.775 18.792 51.171 1.00128.54 C ATOM 145 CG ARG 162 -8.119 17.346 51.530 1.00128.54 C ATOM 146 CD ARG 162 -8.768 16.567 50.381 1.00128.54 C ATOM 147 NE ARG 162 -7.865 16.657 49.198 1.00128.54 N ATOM 148 CZ ARG 162 -8.293 16.208 47.982 1.00128.54 C ATOM 149 NH1 ARG 162 -9.535 15.658 47.856 1.00128.54 N ATOM 150 NH2 ARG 162 -7.487 16.316 46.886 1.00128.54 N ATOM 151 C ARG 162 -6.206 19.061 53.053 1.00128.54 C ATOM 152 O ARG 162 -6.344 18.403 54.085 1.00128.54 O ATOM 153 N LYS 163 -4.998 19.269 52.496 1.00 81.86 N ATOM 154 CA LYS 163 -3.829 18.682 53.083 1.00 81.86 C ATOM 155 CB LYS 163 -2.545 18.942 52.270 1.00 81.86 C ATOM 156 CG LYS 163 -1.294 18.313 52.890 1.00 81.86 C ATOM 157 CD LYS 163 -0.083 18.284 51.956 1.00 81.86 C ATOM 158 CE LYS 163 1.181 17.729 52.616 1.00 81.86 C ATOM 159 NZ LYS 163 1.656 18.669 53.658 1.00 81.86 N ATOM 160 C LYS 163 -3.631 19.266 54.445 1.00 81.86 C ATOM 161 O LYS 163 -3.278 18.562 55.388 1.00 81.86 O ATOM 162 N HIS 164 -3.874 20.584 54.578 1.00 51.14 N ATOM 163 CA HIS 164 -3.675 21.298 55.810 1.00 51.14 C ATOM 164 ND1 HIS 164 -2.724 23.914 57.560 1.00 51.14 N ATOM 165 CG HIS 164 -3.909 23.523 56.980 1.00 51.14 C ATOM 166 CB HIS 164 -4.012 22.788 55.678 1.00 51.14 C ATOM 167 NE2 HIS 164 -4.348 24.588 58.920 1.00 51.14 N ATOM 168 CD2 HIS 164 -4.892 23.942 57.827 1.00 51.14 C ATOM 169 CE1 HIS 164 -3.044 24.545 58.716 1.00 51.14 C ATOM 170 C HIS 164 -4.565 20.749 56.878 1.00 51.14 C ATOM 171 O HIS 164 -4.133 20.571 58.016 1.00 51.14 O ATOM 172 N GLU 165 -5.830 20.452 56.537 1.00 45.62 N ATOM 173 CA GLU 165 -6.775 19.987 57.512 1.00 45.62 C ATOM 174 CB GLU 165 -8.187 19.792 56.935 1.00 45.62 C ATOM 175 CG GLU 165 -8.883 21.114 56.595 1.00 45.62 C ATOM 176 CD GLU 165 -10.264 20.788 56.037 1.00 45.62 C ATOM 177 OE1 GLU 165 -10.566 19.574 55.887 1.00 45.62 O ATOM 178 OE2 GLU 165 -11.033 21.746 55.755 1.00 45.62 O ATOM 179 C GLU 165 -6.303 18.686 58.082 1.00 45.62 C ATOM 180 O GLU 165 -6.547 18.384 59.249 1.00 45.62 O ATOM 181 N LYS 166 -5.602 17.879 57.271 1.00108.43 N ATOM 182 CA LYS 166 -5.144 16.607 57.741 1.00108.43 C ATOM 183 CB LYS 166 -4.296 15.854 56.704 1.00108.43 C ATOM 184 CG LYS 166 -3.805 14.490 57.193 1.00108.43 C ATOM 185 CD LYS 166 -2.966 13.744 56.154 1.00108.43 C ATOM 186 CE LYS 166 -3.646 13.601 54.794 1.00108.43 C ATOM 187 NZ LYS 166 -2.674 13.082 53.807 1.00108.43 N ATOM 188 C LYS 166 -4.258 16.835 58.927 1.00108.43 C ATOM 189 O LYS 166 -4.271 16.056 59.876 1.00108.43 O ATOM 190 N ILE 167 -3.471 17.928 58.918 1.00 35.55 N ATOM 191 CA ILE 167 -2.520 18.156 59.969 1.00 35.55 C ATOM 192 CB ILE 167 -1.762 19.442 59.792 1.00 35.55 C ATOM 193 CG1 ILE 167 -0.985 19.438 58.467 1.00 35.55 C ATOM 194 CG2 ILE 167 -0.861 19.643 61.024 1.00 35.55 C ATOM 195 CD1 ILE 167 -0.429 20.811 58.095 1.00 35.55 C ATOM 196 C ILE 167 -3.227 18.257 61.286 1.00 35.55 C ATOM 197 O ILE 167 -2.808 17.632 62.260 1.00 35.55 O ATOM 198 N HIS 168 -4.328 19.031 61.359 1.00 36.48 N ATOM 199 CA HIS 168 -4.979 19.188 62.627 1.00 36.48 C ATOM 200 ND1 HIS 168 -5.253 22.433 63.116 1.00 36.48 N ATOM 201 CG HIS 168 -5.846 21.552 62.241 1.00 36.48 C ATOM 202 CB HIS 168 -6.195 20.132 62.582 1.00 36.48 C ATOM 203 NE2 HIS 168 -5.564 23.539 61.212 1.00 36.48 N ATOM 204 CD2 HIS 168 -6.030 22.242 61.083 1.00 36.48 C ATOM 205 CE1 HIS 168 -5.107 23.607 62.448 1.00 36.48 C ATOM 206 C HIS 168 -5.475 17.857 63.086 1.00 36.48 C ATOM 207 O HIS 168 -5.226 17.448 64.220 1.00 36.48 O ATOM 208 N THR 169 -6.163 17.122 62.195 1.00 21.92 N ATOM 209 CA THR 169 -6.734 15.868 62.583 1.00 21.92 C ATOM 210 CB THR 169 -7.456 15.185 61.459 1.00 21.92 C ATOM 211 OG1 THR 169 -6.546 14.839 60.425 1.00 21.92 O ATOM 212 CG2 THR 169 -8.538 16.140 60.921 1.00 21.92 C ATOM 213 C THR 169 -5.626 14.976 63.019 1.00 21.92 C ATOM 214 O THR 169 -5.704 14.340 64.069 1.00 21.92 O ATOM 215 N GLY 170 -4.543 14.926 62.227 1.00 7.18 N ATOM 216 CA GLY 170 -3.446 14.083 62.582 1.00 7.18 C ATOM 217 C GLY 170 -3.837 12.666 62.194 1.00 7.18 C ATOM 218 O GLY 170 -3.020 11.993 61.511 1.00 7.18 O ATOM 219 OXT GLY 170 -4.960 12.237 62.577 1.00 7.18 O