EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:01:42 REMARK 6 MODELLER OBJECTIVE FUNCTION: 114.3524 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 41.667 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1260.83923 REMARK 6 GA341 score: 0.91218 REMARK 6 Normalized DOPE score: -1.80157 REMARK 6 TEMPLATE: 2i13A02 75:A - 98:A MODELS 1: - 24: AT 41.7% ATOM 1 N GLU 107 -23.316 30.397 39.162 1.00 76.88 N ATOM 2 CA GLU 107 -21.869 30.101 39.292 1.00 76.88 C ATOM 3 CB GLU 107 -21.034 31.120 38.499 1.00 76.88 C ATOM 4 CG GLU 107 -21.262 31.118 36.986 1.00 76.88 C ATOM 5 CD GLU 107 -20.610 32.384 36.441 1.00 76.88 C ATOM 6 OE1 GLU 107 -20.492 33.362 37.227 1.00 76.88 O ATOM 7 OE2 GLU 107 -20.231 32.393 35.240 1.00 76.88 O ATOM 8 C GLU 107 -21.467 30.255 40.717 1.00 76.88 C ATOM 9 O GLU 107 -21.600 31.337 41.284 1.00 76.88 O ATOM 10 N ARG 108 -20.991 29.166 41.352 1.00108.04 N ATOM 11 CA ARG 108 -20.555 29.305 42.711 1.00108.04 C ATOM 12 CB ARG 108 -21.499 28.614 43.710 1.00108.04 C ATOM 13 CG ARG 108 -22.959 29.064 43.611 1.00108.04 C ATOM 14 CD ARG 108 -23.859 28.464 44.693 1.00108.04 C ATOM 15 NE ARG 108 -25.259 28.887 44.410 1.00108.04 N ATOM 16 CZ ARG 108 -26.042 28.081 43.635 1.00108.04 C ATOM 17 NH1 ARG 108 -25.560 26.889 43.180 1.00108.04 N ATOM 18 NH2 ARG 108 -27.310 28.463 43.309 1.00108.04 N ATOM 19 C ARG 108 -19.247 28.589 42.818 1.00108.04 C ATOM 20 O ARG 108 -19.211 27.421 43.197 1.00108.04 O ATOM 21 N PRO 109 -18.174 29.248 42.495 1.00107.27 N ATOM 22 CA PRO 109 -16.893 28.599 42.566 1.00107.27 C ATOM 23 CD PRO 109 -18.220 30.205 41.397 1.00107.27 C ATOM 24 CB PRO 109 -15.949 29.420 41.694 1.00107.27 C ATOM 25 CG PRO 109 -16.881 30.066 40.655 1.00107.27 C ATOM 26 C PRO 109 -16.361 28.391 43.947 1.00107.27 C ATOM 27 O PRO 109 -15.425 27.608 44.094 1.00107.27 O ATOM 28 N HIS 110 -16.898 29.075 44.971 1.00 54.68 N ATOM 29 CA HIS 110 -16.296 28.956 46.267 1.00 54.68 C ATOM 30 ND1 HIS 110 -14.020 31.461 46.955 1.00 54.68 N ATOM 31 CG HIS 110 -15.280 31.250 46.439 1.00 54.68 C ATOM 32 CB HIS 110 -16.273 30.291 47.026 1.00 54.68 C ATOM 33 NE2 HIS 110 -14.191 32.741 45.145 1.00 54.68 N ATOM 34 CD2 HIS 110 -15.369 32.040 45.335 1.00 54.68 C ATOM 35 CE1 HIS 110 -13.412 32.361 46.143 1.00 54.68 C ATOM 36 C HIS 110 -17.056 27.960 47.086 1.00 54.68 C ATOM 37 O HIS 110 -18.245 28.137 47.344 1.00 54.68 O ATOM 38 N ARG 111 -16.358 26.890 47.531 1.00 99.24 N ATOM 39 CA ARG 111 -16.970 25.821 48.274 1.00 99.24 C ATOM 40 CB ARG 111 -16.629 24.432 47.690 1.00 99.24 C ATOM 41 CG ARG 111 -17.331 23.262 48.382 1.00 99.24 C ATOM 42 CD ARG 111 -16.683 21.899 48.119 1.00 99.24 C ATOM 43 NE ARG 111 -16.827 21.556 46.676 1.00 99.24 N ATOM 44 CZ ARG 111 -16.591 20.271 46.276 1.00 99.24 C ATOM 45 NH1 ARG 111 -16.257 19.324 47.201 1.00 99.24 N ATOM 46 NH2 ARG 111 -16.679 19.932 44.956 1.00 99.24 N ATOM 47 C ARG 111 -16.441 25.840 49.678 1.00 99.24 C ATOM 48 O ARG 111 -15.242 25.998 49.904 1.00 99.24 O ATOM 49 N CYS 112 -17.348 25.692 50.667 1.00 45.57 N ATOM 50 CA CYS 112 -16.962 25.651 52.050 1.00 45.57 C ATOM 51 CB CYS 112 -18.126 25.975 53.002 1.00 45.57 C ATOM 52 SG CYS 112 -17.633 25.982 54.752 1.00 45.57 S ATOM 53 C CYS 112 -16.494 24.259 52.355 1.00 45.57 C ATOM 54 O CYS 112 -17.176 23.278 52.061 1.00 45.57 O ATOM 55 N THR 113 -15.308 24.148 52.986 1.00108.20 N ATOM 56 CA THR 113 -14.725 22.867 53.269 1.00108.20 C ATOM 57 CB THR 113 -13.350 22.984 53.879 1.00108.20 C ATOM 58 OG1 THR 113 -12.789 21.693 54.093 1.00108.20 O ATOM 59 CG2 THR 113 -13.424 23.765 55.203 1.00108.20 C ATOM 60 C THR 113 -15.598 22.100 54.207 1.00108.20 C ATOM 61 O THR 113 -15.870 20.920 53.986 1.00108.20 O ATOM 62 N ASP 114 -16.050 22.742 55.300 1.00 58.58 N ATOM 63 CA ASP 114 -16.815 22.007 56.261 1.00 58.58 C ATOM 64 CB ASP 114 -17.028 22.794 57.571 1.00 58.58 C ATOM 65 CG ASP 114 -15.697 22.796 58.318 1.00 58.58 C ATOM 66 OD1 ASP 114 -14.867 21.890 58.041 1.00 58.58 O ATOM 67 OD2 ASP 114 -15.490 23.697 59.174 1.00 58.58 O ATOM 68 C ASP 114 -18.164 21.600 55.738 1.00 58.58 C ATOM 69 O ASP 114 -18.459 20.411 55.637 1.00 58.58 O ATOM 70 N CYS 115 -19.011 22.591 55.390 1.00106.01 N ATOM 71 CA CYS 115 -20.385 22.394 54.986 1.00106.01 C ATOM 72 CB CYS 115 -21.143 23.719 54.840 1.00106.01 C ATOM 73 SG CYS 115 -21.129 24.726 56.341 1.00106.01 S ATOM 74 C CYS 115 -20.493 21.778 53.631 1.00106.01 C ATOM 75 O CYS 115 -21.263 20.843 53.419 1.00106.01 O ATOM 76 N GLY 116 -19.712 22.304 52.670 1.00 27.85 N ATOM 77 CA GLY 116 -19.827 21.871 51.312 1.00 27.85 C ATOM 78 C GLY 116 -20.714 22.844 50.586 1.00 27.85 C ATOM 79 O GLY 116 -20.979 22.680 49.396 1.00 27.85 O ATOM 80 N LYS 117 -21.208 23.893 51.278 1.00 91.73 N ATOM 81 CA LYS 117 -22.062 24.849 50.621 1.00 91.73 C ATOM 82 CB LYS 117 -22.890 25.706 51.601 1.00 91.73 C ATOM 83 CG LYS 117 -23.947 26.589 50.926 1.00 91.73 C ATOM 84 CD LYS 117 -25.057 27.051 51.877 1.00 91.73 C ATOM 85 CE LYS 117 -24.660 28.230 52.767 1.00 91.73 C ATOM 86 NZ LYS 117 -25.752 28.542 53.716 1.00 91.73 N ATOM 87 C LYS 117 -21.218 25.747 49.761 1.00 91.73 C ATOM 88 O LYS 117 -20.081 26.066 50.107 1.00 91.73 O ATOM 89 N SER 118 -21.768 26.185 48.603 1.00 56.45 N ATOM 90 CA SER 118 -20.989 26.979 47.685 1.00 56.45 C ATOM 91 CB SER 118 -20.930 26.407 46.254 1.00 56.45 C ATOM 92 OG SER 118 -20.237 25.167 46.247 1.00 56.45 O ATOM 93 C SER 118 -21.548 28.369 47.603 1.00 56.45 C ATOM 94 O SER 118 -22.732 28.599 47.844 1.00 56.45 O ATOM 95 N PHE 119 -20.675 29.345 47.260 1.00156.90 N ATOM 96 CA PHE 119 -21.076 30.725 47.196 1.00156.90 C ATOM 97 CB PHE 119 -20.511 31.589 48.333 1.00156.90 C ATOM 98 CG PHE 119 -21.203 31.184 49.582 1.00156.90 C ATOM 99 CD1 PHE 119 -20.756 30.106 50.307 1.00156.90 C ATOM 100 CD2 PHE 119 -22.310 31.875 50.014 1.00156.90 C ATOM 101 CE1 PHE 119 -21.394 29.724 51.460 1.00156.90 C ATOM 102 CE2 PHE 119 -22.952 31.499 51.168 1.00156.90 C ATOM 103 CZ PHE 119 -22.494 30.424 51.890 1.00156.90 C ATOM 104 C PHE 119 -20.570 31.355 45.941 1.00156.90 C ATOM 105 O PHE 119 -19.585 30.917 45.350 1.00156.90 O ATOM 106 N THR 120 -21.283 32.411 45.506 1.00106.30 N ATOM 107 CA THR 120 -20.945 33.175 44.343 1.00106.30 C ATOM 108 CB THR 120 -21.996 34.182 43.997 1.00106.30 C ATOM 109 OG1 THR 120 -22.131 35.128 45.049 1.00106.30 O ATOM 110 CG2 THR 120 -23.322 33.437 43.775 1.00106.30 C ATOM 111 C THR 120 -19.688 33.940 44.594 1.00106.30 C ATOM 112 O THR 120 -18.828 34.035 43.719 1.00106.30 O ATOM 113 N ASP 121 -19.554 34.522 45.802 1.00 99.99 N ATOM 114 CA ASP 121 -18.397 35.329 46.053 1.00 99.99 C ATOM 115 CB ASP 121 -18.705 36.827 46.245 1.00 99.99 C ATOM 116 CG ASP 121 -19.717 37.016 47.363 1.00 99.99 C ATOM 117 OD1 ASP 121 -20.832 36.437 47.264 1.00 99.99 O ATOM 118 OD2 ASP 121 -19.390 37.746 48.335 1.00 99.99 O ATOM 119 C ASP 121 -17.630 34.822 47.231 1.00 99.99 C ATOM 120 O ASP 121 -18.190 34.259 48.169 1.00 99.99 O ATOM 121 N SER 122 -16.298 35.023 47.182 1.00 67.50 N ATOM 122 CA SER 122 -15.375 34.575 48.182 1.00 67.50 C ATOM 123 CB SER 122 -13.911 34.865 47.795 1.00 67.50 C ATOM 124 OG SER 122 -13.031 34.401 48.810 1.00 67.50 O ATOM 125 C SER 122 -15.652 35.266 49.481 1.00 67.50 C ATOM 126 O SER 122 -15.556 34.652 50.542 1.00 67.50 O ATOM 127 N SER 123 -16.009 36.563 49.437 1.00 64.01 N ATOM 128 CA SER 123 -16.210 37.303 50.652 1.00 64.01 C ATOM 129 CB SER 123 -16.579 38.772 50.402 1.00 64.01 C ATOM 130 OG SER 123 -15.489 39.452 49.800 1.00 64.01 O ATOM 131 C SER 123 -17.341 36.701 51.415 1.00 64.01 C ATOM 132 O SER 123 -17.289 36.601 52.640 1.00 64.01 O ATOM 133 N SER 124 -18.403 36.287 50.699 1.00 26.55 N ATOM 134 CA SER 124 -19.549 35.728 51.356 1.00 26.55 C ATOM 135 CB SER 124 -20.713 35.432 50.391 1.00 26.55 C ATOM 136 OG SER 124 -21.207 36.635 49.823 1.00 26.55 O ATOM 137 C SER 124 -19.155 34.438 52.003 1.00 26.55 C ATOM 138 O SER 124 -19.574 34.132 53.118 1.00 26.55 O ATOM 139 N LEU 125 -18.316 33.644 51.318 1.00 64.40 N ATOM 140 CA LEU 125 -17.938 32.367 51.842 1.00 64.40 C ATOM 141 CB LEU 125 -17.070 31.561 50.861 1.00 64.40 C ATOM 142 CG LEU 125 -16.727 30.158 51.383 1.00 64.40 C ATOM 143 CD1 LEU 125 -18.004 29.378 51.729 1.00 64.40 C ATOM 144 CD2 LEU 125 -15.860 29.392 50.374 1.00 64.40 C ATOM 145 C LEU 125 -17.179 32.588 53.113 1.00 64.40 C ATOM 146 O LEU 125 -17.371 31.878 54.099 1.00 64.40 O ATOM 147 N GLN 126 -16.327 33.629 53.137 1.00105.59 N ATOM 148 CA GLN 126 -15.491 33.896 54.274 1.00105.59 C ATOM 149 CB GLN 126 -14.656 35.183 54.091 1.00105.59 C ATOM 150 CG GLN 126 -13.479 35.338 55.066 1.00105.59 C ATOM 151 CD GLN 126 -12.274 34.608 54.471 1.00105.59 C ATOM 152 OE1 GLN 126 -12.420 33.599 53.783 1.00105.59 O ATOM 153 NE2 GLN 126 -11.050 35.140 54.734 1.00105.59 N ATOM 154 C GLN 126 -16.370 34.108 55.472 1.00105.59 C ATOM 155 O GLN 126 -16.099 33.573 56.545 1.00105.59 O ATOM 156 N LYS 127 -17.462 34.878 55.316 1.00118.81 N ATOM 157 CA LYS 127 -18.349 35.162 56.409 1.00118.81 C ATOM 158 CB LYS 127 -19.521 36.066 55.991 1.00118.81 C ATOM 159 CG LYS 127 -19.054 37.311 55.242 1.00118.81 C ATOM 160 CD LYS 127 -17.923 38.055 55.947 1.00118.81 C ATOM 161 CE LYS 127 -18.292 38.581 57.333 1.00118.81 C ATOM 162 NZ LYS 127 -17.079 39.104 58.003 1.00118.81 N ATOM 163 C LYS 127 -18.935 33.863 56.854 1.00118.81 C ATOM 164 O LYS 127 -19.100 33.607 58.046 1.00118.81 O ATOM 165 N HIS 128 -19.238 33.000 55.874 1.00 55.77 N ATOM 166 CA HIS 128 -19.842 31.725 56.104 1.00 55.77 C ATOM 167 ND1 HIS 128 -22.078 29.526 54.953 1.00 55.77 N ATOM 168 CG HIS 128 -20.712 29.654 54.835 1.00 55.77 C ATOM 169 CB HIS 128 -19.997 30.967 54.770 1.00 55.77 C ATOM 170 NE2 HIS 128 -21.259 27.466 54.804 1.00 55.77 N ATOM 171 CD2 HIS 128 -20.226 28.385 54.747 1.00 55.77 C ATOM 172 CE1 HIS 128 -22.351 28.197 54.928 1.00 55.77 C ATOM 173 C HIS 128 -18.930 30.939 56.990 1.00 55.77 C ATOM 174 O HIS 128 -19.372 30.325 57.960 1.00 55.77 O ATOM 175 N ARG 129 -17.617 30.966 56.689 1.00101.18 N ATOM 176 CA ARG 129 -16.649 30.216 57.440 1.00101.18 C ATOM 177 CB ARG 129 -15.229 30.363 56.850 1.00101.18 C ATOM 178 CG ARG 129 -14.209 29.326 57.337 1.00101.18 C ATOM 179 CD ARG 129 -12.813 29.527 56.732 1.00101.18 C ATOM 180 NE ARG 129 -12.914 29.331 55.255 1.00101.18 N ATOM 181 CZ ARG 129 -12.407 28.206 54.664 1.00101.18 C ATOM 182 NH1 ARG 129 -11.765 27.263 55.415 1.00101.18 N ATOM 183 NH2 ARG 129 -12.539 28.020 53.318 1.00101.18 N ATOM 184 C ARG 129 -16.634 30.711 58.861 1.00101.18 C ATOM 185 O ARG 129 -16.619 29.915 59.799 1.00101.18 O ATOM 186 N LYS 130 -16.654 32.043 59.064 1.00110.06 N ATOM 187 CA LYS 130 -16.622 32.583 60.395 1.00110.06 C ATOM 188 CB LYS 130 -15.589 33.717 60.535 1.00110.06 C ATOM 189 CG LYS 130 -15.253 34.164 61.965 1.00110.06 C ATOM 190 CD LYS 130 -16.351 34.915 62.724 1.00110.06 C ATOM 191 CE LYS 130 -15.830 35.554 64.018 1.00110.06 C ATOM 192 NZ LYS 130 -16.747 36.609 64.504 1.00110.06 N ATOM 193 C LYS 130 -18.008 33.159 60.686 1.00110.06 C ATOM 194 O LYS 130 -18.953 32.351 60.894 1.00110.06 O ATOM 195 OXT LYS 130 -18.142 34.411 60.710 1.00110.06 O