EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:02:09 REMARK 6 MODELLER OBJECTIVE FUNCTION: 98.4794 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 65.217 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1367.50061 REMARK 6 GA341 score: 0.99958 REMARK 6 Normalized DOPE score: -0.83914 REMARK 6 TEMPLATE: 2i13A02 75:A - 97:A MODELS 1: - 23: AT 65.2% ATOM 1 N GLU 175 -10.850 34.313 57.429 1.00 34.20 N ATOM 2 CA GLU 175 -10.166 33.329 56.557 1.00 34.20 C ATOM 3 CB GLU 175 -8.817 32.909 57.168 1.00 34.20 C ATOM 4 CG GLU 175 -8.051 31.894 56.317 1.00 34.20 C ATOM 5 CD GLU 175 -6.804 31.483 57.092 1.00 34.20 C ATOM 6 OE1 GLU 175 -6.948 30.634 58.013 1.00 34.20 O ATOM 7 OE2 GLU 175 -5.701 32.008 56.782 1.00 34.20 O ATOM 8 C GLU 175 -10.980 32.091 56.388 1.00 34.20 C ATOM 9 O GLU 175 -11.324 31.428 57.364 1.00 34.20 O ATOM 10 N LYS 176 -11.336 31.760 55.132 1.00 72.81 N ATOM 11 CA LYS 176 -12.065 30.547 54.906 1.00 72.81 C ATOM 12 CB LYS 176 -13.432 30.771 54.243 1.00 72.81 C ATOM 13 CG LYS 176 -14.405 31.535 55.139 1.00 72.81 C ATOM 14 CD LYS 176 -15.654 32.032 54.413 1.00 72.81 C ATOM 15 CE LYS 176 -16.614 32.798 55.327 1.00 72.81 C ATOM 16 NZ LYS 176 -16.065 34.135 55.640 1.00 72.81 N ATOM 17 C LYS 176 -11.241 29.719 53.973 1.00 72.81 C ATOM 18 O LYS 176 -11.285 29.880 52.754 1.00 72.81 O ATOM 19 N PRO 177 -10.480 28.840 54.559 1.00116.29 N ATOM 20 CA PRO 177 -9.563 27.967 53.880 1.00116.29 C ATOM 21 CD PRO 177 -10.415 28.711 56.004 1.00116.29 C ATOM 22 CB PRO 177 -8.719 27.323 54.984 1.00116.29 C ATOM 23 CG PRO 177 -9.600 27.432 56.242 1.00116.29 C ATOM 24 C PRO 177 -10.196 26.933 53.005 1.00116.29 C ATOM 25 O PRO 177 -9.531 26.471 52.079 1.00116.29 O ATOM 26 N PHE 178 -11.453 26.531 53.262 1.00 54.95 N ATOM 27 CA PHE 178 -11.952 25.425 52.495 1.00 54.95 C ATOM 28 CB PHE 178 -12.733 24.410 53.341 1.00 54.95 C ATOM 29 CG PHE 178 -11.757 23.815 54.293 1.00 54.95 C ATOM 30 CD1 PHE 178 -11.017 22.713 53.937 1.00 54.95 C ATOM 31 CD2 PHE 178 -11.575 24.369 55.538 1.00 54.95 C ATOM 32 CE1 PHE 178 -10.111 22.165 54.814 1.00 54.95 C ATOM 33 CE2 PHE 178 -10.670 23.825 56.418 1.00 54.95 C ATOM 34 CZ PHE 178 -9.937 22.721 56.057 1.00 54.95 C ATOM 35 C PHE 178 -12.861 25.922 51.425 1.00 54.95 C ATOM 36 O PHE 178 -13.841 26.611 51.698 1.00 54.95 O ATOM 37 N THR 179 -12.565 25.545 50.165 1.00100.30 N ATOM 38 CA THR 179 -13.342 26.007 49.054 1.00100.30 C ATOM 39 CB THR 179 -12.508 26.666 48.000 1.00100.30 C ATOM 40 OG1 THR 179 -13.333 27.157 46.952 1.00100.30 O ATOM 41 CG2 THR 179 -11.512 25.626 47.458 1.00100.30 C ATOM 42 C THR 179 -14.010 24.839 48.401 1.00100.30 C ATOM 43 O THR 179 -13.424 23.767 48.252 1.00100.30 O ATOM 44 N CYS 180 -15.286 25.031 48.010 1.00 44.20 N ATOM 45 CA CYS 180 -16.035 24.012 47.330 1.00 44.20 C ATOM 46 CB CYS 180 -17.558 24.243 47.399 1.00 44.20 C ATOM 47 SG CYS 180 -18.525 22.964 46.542 1.00 44.20 S ATOM 48 C CYS 180 -15.631 24.040 45.888 1.00 44.20 C ATOM 49 O CYS 180 -15.645 25.088 45.247 1.00 44.20 O ATOM 50 N PRO 181 -15.260 22.913 45.351 1.00 76.37 N ATOM 51 CA PRO 181 -14.864 22.895 43.971 1.00 76.37 C ATOM 52 CD PRO 181 -14.558 21.907 46.128 1.00 76.37 C ATOM 53 CB PRO 181 -14.211 21.534 43.746 1.00 76.37 C ATOM 54 CG PRO 181 -13.632 21.188 45.130 1.00 76.37 C ATOM 55 C PRO 181 -15.982 23.202 43.030 1.00 76.37 C ATOM 56 O PRO 181 -15.721 23.760 41.965 1.00 76.37 O ATOM 57 N GLN 182 -17.221 22.791 43.360 1.00112.33 N ATOM 58 CA GLN 182 -18.285 23.015 42.426 1.00112.33 C ATOM 59 CB GLN 182 -19.532 22.198 42.795 1.00112.33 C ATOM 60 CG GLN 182 -19.285 20.686 42.762 1.00112.33 C ATOM 61 CD GLN 182 -20.536 19.989 43.272 1.00112.33 C ATOM 62 OE1 GLN 182 -21.654 20.383 42.947 1.00112.33 O ATOM 63 NE2 GLN 182 -20.343 18.929 44.102 1.00112.33 N ATOM 64 C GLN 182 -18.698 24.458 42.358 1.00112.33 C ATOM 65 O GLN 182 -18.653 25.082 41.298 1.00112.33 O ATOM 66 N CYS 183 -19.136 24.996 43.515 1.00103.09 N ATOM 67 CA CYS 183 -19.656 26.330 43.684 1.00103.09 C ATOM 68 CB CYS 183 -20.448 26.444 44.997 1.00103.09 C ATOM 69 SG CYS 183 -21.047 28.125 45.319 1.00103.09 S ATOM 70 C CYS 183 -18.593 27.387 43.714 1.00103.09 C ATOM 71 O CYS 183 -18.741 28.446 43.107 1.00103.09 O ATOM 72 N GLY 184 -17.487 27.125 44.436 1.00 26.22 N ATOM 73 CA GLY 184 -16.453 28.107 44.607 1.00 26.22 C ATOM 74 C GLY 184 -16.664 28.814 45.918 1.00 26.22 C ATOM 75 O GLY 184 -15.898 29.709 46.272 1.00 26.22 O ATOM 76 N LYS 185 -17.710 28.434 46.681 1.00 82.55 N ATOM 77 CA LYS 185 -17.970 29.070 47.947 1.00 82.55 C ATOM 78 CB LYS 185 -19.366 28.743 48.513 1.00 82.55 C ATOM 79 CG LYS 185 -19.696 29.459 49.826 1.00 82.55 C ATOM 80 CD LYS 185 -21.192 29.468 50.161 1.00 82.55 C ATOM 81 CE LYS 185 -21.760 28.088 50.500 1.00 82.55 C ATOM 82 NZ LYS 185 -23.180 28.201 50.903 1.00 82.55 N ATOM 83 C LYS 185 -16.943 28.610 48.940 1.00 82.55 C ATOM 84 O LYS 185 -16.517 27.456 48.914 1.00 82.55 O ATOM 85 N SER 186 -16.523 29.511 49.859 1.00 50.89 N ATOM 86 CA SER 186 -15.495 29.166 50.808 1.00 50.89 C ATOM 87 CB SER 186 -14.329 30.168 50.844 1.00 50.89 C ATOM 88 OG SER 186 -13.648 30.158 49.598 1.00 50.89 O ATOM 89 C SER 186 -16.085 29.110 52.184 1.00 50.89 C ATOM 90 O SER 186 -17.065 29.791 52.482 1.00 50.89 O ATOM 91 N PHE 187 -15.485 28.276 53.063 1.00145.60 N ATOM 92 CA PHE 187 -16.011 28.074 54.388 1.00145.60 C ATOM 93 CB PHE 187 -16.602 26.667 54.579 1.00145.60 C ATOM 94 CG PHE 187 -17.796 26.528 53.701 1.00145.60 C ATOM 95 CD1 PHE 187 -17.652 26.175 52.379 1.00145.60 C ATOM 96 CD2 PHE 187 -19.057 26.760 54.199 1.00145.60 C ATOM 97 CE1 PHE 187 -18.752 26.046 51.566 1.00145.60 C ATOM 98 CE2 PHE 187 -20.160 26.633 53.391 1.00145.60 C ATOM 99 CZ PHE 187 -20.008 26.275 52.073 1.00145.60 C ATOM 100 C PHE 187 -14.911 28.183 55.396 1.00145.60 C ATOM 101 O PHE 187 -13.744 27.917 55.113 1.00145.60 O ATOM 102 N SER 188 -15.291 28.599 56.620 1.00 80.58 N ATOM 103 CA SER 188 -14.394 28.738 57.729 1.00 80.58 C ATOM 104 CB SER 188 -15.055 29.408 58.946 1.00 80.58 C ATOM 105 OG SER 188 -15.487 30.717 58.610 1.00 80.58 O ATOM 106 C SER 188 -13.973 27.377 58.189 1.00 80.58 C ATOM 107 O SER 188 -12.850 27.197 58.658 1.00 80.58 O ATOM 108 N GLN 189 -14.865 26.372 58.081 1.00 48.85 N ATOM 109 CA GLN 189 -14.499 25.097 58.631 1.00 48.85 C ATOM 110 CB GLN 189 -15.243 24.777 59.936 1.00 48.85 C ATOM 111 CG GLN 189 -14.874 25.710 61.092 1.00 48.85 C ATOM 112 CD GLN 189 -15.762 25.347 62.274 1.00 48.85 C ATOM 113 OE1 GLN 189 -16.984 25.464 62.202 1.00 48.85 O ATOM 114 NE2 GLN 189 -15.137 24.885 63.390 1.00 48.85 N ATOM 115 C GLN 189 -14.795 24.000 57.658 1.00 48.85 C ATOM 116 O GLN 189 -15.701 24.095 56.831 1.00 48.85 O ATOM 117 N SER 190 -14.014 22.905 57.764 1.00 68.40 N ATOM 118 CA SER 190 -14.110 21.767 56.894 1.00 68.40 C ATOM 119 CB SER 190 -13.032 20.711 57.184 1.00 68.40 C ATOM 120 OG SER 190 -13.181 19.614 56.296 1.00 68.40 O ATOM 121 C SER 190 -15.442 21.098 57.051 1.00 68.40 C ATOM 122 O SER 190 -16.044 20.665 56.070 1.00 68.40 O ATOM 123 N SER 191 -15.949 21.011 58.295 1.00 64.88 N ATOM 124 CA SER 191 -17.180 20.316 58.538 1.00 64.88 C ATOM 125 CB SER 191 -17.565 20.319 60.027 1.00 64.88 C ATOM 126 OG SER 191 -16.569 19.654 60.790 1.00 64.88 O ATOM 127 C SER 191 -18.276 21.004 57.790 1.00 64.88 C ATOM 128 O SER 191 -19.163 20.360 57.228 1.00 64.88 O ATOM 129 N ASN 192 -18.232 22.347 57.768 1.00 34.96 N ATOM 130 CA ASN 192 -19.241 23.126 57.113 1.00 34.96 C ATOM 131 CB ASN 192 -18.996 24.639 57.270 1.00 34.96 C ATOM 132 CG ASN 192 -19.099 24.996 58.744 1.00 34.96 C ATOM 133 OD1 ASN 192 -19.900 24.420 59.478 1.00 34.96 O ATOM 134 ND2 ASN 192 -18.256 25.965 59.194 1.00 34.96 N ATOM 135 C ASN 192 -19.201 22.833 55.643 1.00 34.96 C ATOM 136 O ASN 192 -20.241 22.677 55.004 1.00 34.96 O ATOM 137 N LEU 193 -17.984 22.741 55.071 1.00104.89 N ATOM 138 CA LEU 193 -17.817 22.532 53.661 1.00104.89 C ATOM 139 CB LEU 193 -16.326 22.477 53.261 1.00104.89 C ATOM 140 CG LEU 193 -15.999 22.565 51.748 1.00104.89 C ATOM 141 CD1 LEU 193 -14.503 22.315 51.504 1.00104.89 C ATOM 142 CD2 LEU 193 -16.892 21.680 50.866 1.00104.89 C ATOM 143 C LEU 193 -18.420 21.203 53.333 1.00104.89 C ATOM 144 O LEU 193 -19.122 21.056 52.334 1.00104.89 O ATOM 145 N ASN 194 -18.182 20.200 54.196 1.00 33.52 N ATOM 146 CA ASN 194 -18.642 18.869 53.921 1.00 33.52 C ATOM 147 CB ASN 194 -18.346 17.878 55.061 1.00 33.52 C ATOM 148 CG ASN 194 -16.846 17.630 55.134 1.00 33.52 C ATOM 149 OD1 ASN 194 -16.105 17.910 54.194 1.00 33.52 O ATOM 150 ND2 ASN 194 -16.389 17.063 56.282 1.00 33.52 N ATOM 151 C ASN 194 -20.129 18.885 53.753 1.00 33.52 C ATOM 152 O ASN 194 -20.661 18.275 52.827 1.00 33.52 O ATOM 153 N LEU 195 -20.844 19.591 54.648 1.00 36.34 N ATOM 154 CA LEU 195 -22.276 19.601 54.574 1.00 36.34 C ATOM 155 CB LEU 195 -22.915 20.405 55.729 1.00 36.34 C ATOM 156 CG LEU 195 -24.457 20.318 55.863 1.00 36.34 C ATOM 157 CD1 LEU 195 -24.929 21.110 57.091 1.00 36.34 C ATOM 158 CD2 LEU 195 -25.211 20.757 54.596 1.00 36.34 C ATOM 159 C LEU 195 -22.644 20.237 53.273 1.00 36.34 C ATOM 160 O LEU 195 -23.519 19.751 52.559 1.00 36.34 O ATOM 161 N HIS 196 -21.952 21.331 52.915 1.00 40.04 N ATOM 162 CA HIS 196 -22.275 22.037 51.713 1.00 40.04 C ATOM 163 ND1 HIS 196 -22.734 24.874 50.102 1.00 40.04 N ATOM 164 CG HIS 196 -21.660 24.022 50.231 1.00 40.04 C ATOM 165 CB HIS 196 -21.344 23.238 51.472 1.00 40.04 C ATOM 166 NE2 HIS 196 -21.630 24.948 48.172 1.00 40.04 N ATOM 167 CD2 HIS 196 -20.997 24.079 49.042 1.00 40.04 C ATOM 168 CE1 HIS 196 -22.668 25.401 48.852 1.00 40.04 C ATOM 169 C HIS 196 -22.120 21.098 50.563 1.00 40.04 C ATOM 170 O HIS 196 -22.987 21.023 49.693 1.00 40.04 O ATOM 171 N MET 197 -21.004 20.346 50.538 1.00 44.97 N ATOM 172 CA MET 197 -20.773 19.407 49.483 1.00 44.97 C ATOM 173 CB MET 197 -19.528 18.533 49.721 1.00 44.97 C ATOM 174 CG MET 197 -18.201 19.287 49.600 1.00 44.97 C ATOM 175 SD MET 197 -17.684 19.644 47.894 1.00 44.97 S ATOM 176 CE MET 197 -17.139 17.948 47.539 1.00 44.97 C ATOM 177 C MET 197 -21.984 18.483 49.421 1.00 44.97 C ATOM 178 O MET 197 -22.518 18.289 48.296 1.00 44.97 O ATOM 179 OXT MET 197 -22.389 17.959 50.493 1.00 44.97 O