EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:05:25 REMARK 6 MODELLER OBJECTIVE FUNCTION: 80.9637 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 54.545 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1256.81506 REMARK 6 GA341 score: 0.97428 REMARK 6 Normalized DOPE score: -0.68634 REMARK 6 TEMPLATE: 2i13A02 75:A - 96:A MODELS 1: - 22: AT 54.5% ATOM 1 N GLU 259 -9.040 30.248 58.664 1.00 58.64 N ATOM 2 CA GLU 259 -10.280 30.849 59.212 1.00 58.64 C ATOM 3 CB GLU 259 -10.725 30.085 60.475 1.00 58.64 C ATOM 4 CG GLU 259 -9.659 30.006 61.569 1.00 58.64 C ATOM 5 CD GLU 259 -10.162 29.088 62.672 1.00 58.64 C ATOM 6 OE1 GLU 259 -11.357 28.680 62.627 1.00 58.64 O ATOM 7 OE2 GLU 259 -9.347 28.781 63.583 1.00 58.64 O ATOM 8 C GLU 259 -10.069 32.292 59.537 1.00 58.64 C ATOM 9 O GLU 259 -8.943 32.785 59.503 1.00 58.64 O ATOM 10 N LYS 260 -11.165 33.023 59.826 1.00150.94 N ATOM 11 CA LYS 260 -11.036 34.412 60.164 1.00150.94 C ATOM 12 CB LYS 260 -11.897 35.325 59.265 1.00150.94 C ATOM 13 CG LYS 260 -13.206 34.699 58.749 1.00150.94 C ATOM 14 CD LYS 260 -14.244 34.367 59.825 1.00150.94 C ATOM 15 CE LYS 260 -15.559 33.799 59.291 1.00150.94 C ATOM 16 NZ LYS 260 -16.353 34.875 58.656 1.00150.94 N ATOM 17 C LYS 260 -11.424 34.596 61.601 1.00150.94 C ATOM 18 O LYS 260 -12.589 34.758 61.960 1.00150.94 O ATOM 19 N PRO 261 -10.428 34.577 62.432 1.00114.04 N ATOM 20 CA PRO 261 -10.629 34.696 63.849 1.00114.04 C ATOM 21 CD PRO 261 -9.187 33.896 62.105 1.00114.04 C ATOM 22 CB PRO 261 -9.327 34.213 64.499 1.00114.04 C ATOM 23 CG PRO 261 -8.310 34.132 63.345 1.00114.04 C ATOM 24 C PRO 261 -11.068 36.041 64.333 1.00114.04 C ATOM 25 O PRO 261 -11.666 36.105 65.406 1.00114.04 O ATOM 26 N PHE 262 -10.791 37.130 63.591 1.00 55.50 N ATOM 27 CA PHE 262 -11.114 38.412 64.151 1.00 55.50 C ATOM 28 CB PHE 262 -10.004 39.456 63.956 1.00 55.50 C ATOM 29 CG PHE 262 -8.828 38.963 64.724 1.00 55.50 C ATOM 30 CD1 PHE 262 -8.758 39.138 66.086 1.00 55.50 C ATOM 31 CD2 PHE 262 -7.795 38.324 64.078 1.00 55.50 C ATOM 32 CE1 PHE 262 -7.671 38.681 66.793 1.00 55.50 C ATOM 33 CE2 PHE 262 -6.707 37.865 64.779 1.00 55.50 C ATOM 34 CZ PHE 262 -6.645 38.045 66.139 1.00 55.50 C ATOM 35 C PHE 262 -12.347 38.955 63.507 1.00 55.50 C ATOM 36 O PHE 262 -12.425 39.069 62.286 1.00 55.50 O ATOM 37 N THR 263 -13.344 39.326 64.335 1.00 31.21 N ATOM 38 CA THR 263 -14.565 39.858 63.803 1.00 31.21 C ATOM 39 CB THR 263 -15.783 39.079 64.213 1.00 31.21 C ATOM 40 OG1 THR 263 -15.680 37.733 63.771 1.00 31.21 O ATOM 41 CG2 THR 263 -17.030 39.747 63.608 1.00 31.21 C ATOM 42 C THR 263 -14.734 41.255 64.316 1.00 31.21 C ATOM 43 O THR 263 -14.433 41.551 65.472 1.00 31.21 O ATOM 44 N CYS 264 -15.195 42.169 63.436 1.00 41.51 N ATOM 45 CA CYS 264 -15.427 43.534 63.827 1.00 41.51 C ATOM 46 CB CYS 264 -15.499 44.516 62.641 1.00 41.51 C ATOM 47 SG CYS 264 -15.793 46.240 63.150 1.00 41.51 S ATOM 48 C CYS 264 -16.735 43.589 64.553 1.00 41.51 C ATOM 49 O CYS 264 -17.727 43.000 64.127 1.00 41.51 O ATOM 50 N THR 265 -16.769 44.318 65.682 1.00 39.83 N ATOM 51 CA THR 265 -17.962 44.373 66.474 1.00 39.83 C ATOM 52 CB THR 265 -17.781 45.122 67.762 1.00 39.83 C ATOM 53 OG1 THR 265 -16.766 44.508 68.542 1.00 39.83 O ATOM 54 CG2 THR 265 -19.115 45.123 68.531 1.00 39.83 C ATOM 55 C THR 265 -19.069 45.048 65.730 1.00 39.83 C ATOM 56 O THR 265 -20.212 44.597 65.789 1.00 39.83 O ATOM 57 N GLN 266 -18.781 46.178 65.051 1.00 71.91 N ATOM 58 CA GLN 266 -19.871 46.871 64.424 1.00 71.91 C ATOM 59 CB GLN 266 -19.466 48.246 63.874 1.00 71.91 C ATOM 60 CG GLN 266 -20.629 48.977 63.199 1.00 71.91 C ATOM 61 CD GLN 266 -20.070 50.215 62.514 1.00 71.91 C ATOM 62 OE1 GLN 266 -19.117 50.822 62.999 1.00 71.91 O ATOM 63 NE2 GLN 266 -20.668 50.591 61.349 1.00 71.91 N ATOM 64 C GLN 266 -20.472 46.140 63.256 1.00 71.91 C ATOM 65 O GLN 266 -21.656 45.803 63.278 1.00 71.91 O ATOM 66 N CYS 267 -19.661 45.898 62.201 1.00 60.40 N ATOM 67 CA CYS 267 -20.122 45.300 60.972 1.00 60.40 C ATOM 68 CB CYS 267 -19.197 45.593 59.778 1.00 60.40 C ATOM 69 SG CYS 267 -17.484 45.054 60.047 1.00 60.40 S ATOM 70 C CYS 267 -20.318 43.820 61.079 1.00 60.40 C ATOM 71 O CYS 267 -21.266 43.271 60.519 1.00 60.40 O ATOM 72 N GLY 268 -19.418 43.126 61.801 1.00 25.53 N ATOM 73 CA GLY 268 -19.512 41.698 61.892 1.00 25.53 C ATOM 74 C GLY 268 -18.636 41.085 60.837 1.00 25.53 C ATOM 75 O GLY 268 -18.664 39.873 60.628 1.00 25.53 O ATOM 76 N LYS 269 -17.841 41.914 60.129 1.00105.01 N ATOM 77 CA LYS 269 -16.954 41.423 59.106 1.00105.01 C ATOM 78 CB LYS 269 -16.344 42.556 58.257 1.00105.01 C ATOM 79 CG LYS 269 -15.502 42.087 57.068 1.00105.01 C ATOM 80 CD LYS 269 -16.334 41.524 55.915 1.00105.01 C ATOM 81 CE LYS 269 -15.501 41.009 54.739 1.00105.01 C ATOM 82 NZ LYS 269 -14.891 42.137 53.998 1.00105.01 N ATOM 83 C LYS 269 -15.822 40.705 59.788 1.00105.01 C ATOM 84 O LYS 269 -15.333 41.150 60.824 1.00105.01 O ATOM 85 N SER 270 -15.362 39.570 59.214 1.00 45.65 N ATOM 86 CA SER 270 -14.316 38.815 59.858 1.00 45.65 C ATOM 87 CB SER 270 -14.669 37.329 60.048 1.00 45.65 C ATOM 88 OG SER 270 -15.748 37.197 60.962 1.00 45.65 O ATOM 89 C SER 270 -13.061 38.899 59.040 1.00 45.65 C ATOM 90 O SER 270 -13.109 39.013 57.817 1.00 45.65 O ATOM 91 N PHE 271 -11.885 38.848 59.711 1.00 69.27 N ATOM 92 CA PHE 271 -10.634 38.986 59.011 1.00 69.27 C ATOM 93 CB PHE 271 -9.967 40.359 59.216 1.00 69.27 C ATOM 94 CG PHE 271 -10.780 41.380 58.495 1.00 69.27 C ATOM 95 CD1 PHE 271 -10.507 41.675 57.179 1.00 69.27 C ATOM 96 CD2 PHE 271 -11.817 42.031 59.126 1.00 69.27 C ATOM 97 CE1 PHE 271 -11.247 42.613 56.499 1.00 69.27 C ATOM 98 CE2 PHE 271 -12.563 42.969 58.450 1.00 69.27 C ATOM 99 CZ PHE 271 -12.278 43.265 57.137 1.00 69.27 C ATOM 100 C PHE 271 -9.653 37.945 59.461 1.00 69.27 C ATOM 101 O PHE 271 -9.728 37.409 60.565 1.00 69.27 O ATOM 102 N ILE 272 -8.712 37.632 58.550 1.00126.58 N ATOM 103 CA ILE 272 -7.644 36.695 58.732 1.00126.58 C ATOM 104 CB ILE 272 -6.872 36.480 57.461 1.00126.58 C ATOM 105 CG1 ILE 272 -5.777 35.424 57.664 1.00126.58 C ATOM 106 CG2 ILE 272 -6.338 37.847 57.003 1.00126.58 C ATOM 107 CD1 ILE 272 -6.321 34.016 57.892 1.00126.58 C ATOM 108 C ILE 272 -6.684 37.208 59.766 1.00126.58 C ATOM 109 O ILE 272 -6.185 36.441 60.589 1.00126.58 O ATOM 110 N GLN 273 -6.389 38.525 59.753 1.00 40.23 N ATOM 111 CA GLN 273 -5.377 39.024 60.650 1.00 40.23 C ATOM 112 CB GLN 273 -4.155 39.601 59.917 1.00 40.23 C ATOM 113 CG GLN 273 -3.363 38.541 59.145 1.00 40.23 C ATOM 114 CD GLN 273 -2.222 39.241 58.420 1.00 40.23 C ATOM 115 OE1 GLN 273 -2.180 40.468 58.345 1.00 40.23 O ATOM 116 NE2 GLN 273 -1.274 38.439 57.863 1.00 40.23 N ATOM 117 C GLN 273 -5.912 40.114 61.531 1.00 40.23 C ATOM 118 O GLN 273 -6.828 40.850 61.169 1.00 40.23 O ATOM 119 N SER 274 -5.310 40.231 62.735 1.00 68.52 N ATOM 120 CA SER 274 -5.675 41.201 63.732 1.00 68.52 C ATOM 121 CB SER 274 -4.854 41.040 65.027 1.00 68.52 C ATOM 122 OG SER 274 -5.232 42.031 65.972 1.00 68.52 O ATOM 123 C SER 274 -5.404 42.583 63.219 1.00 68.52 C ATOM 124 O SER 274 -6.243 43.475 63.335 1.00 68.52 O ATOM 125 N SER 275 -4.220 42.789 62.617 1.00 61.54 N ATOM 126 CA SER 275 -3.845 44.106 62.193 1.00 61.54 C ATOM 127 CB SER 275 -2.406 44.172 61.647 1.00 61.54 C ATOM 128 OG SER 275 -2.066 45.504 61.283 1.00 61.54 O ATOM 129 C SER 275 -4.778 44.576 61.118 1.00 61.54 C ATOM 130 O SER 275 -5.132 45.754 61.063 1.00 61.54 O ATOM 131 N GLN 276 -5.208 43.662 60.230 1.00 73.92 N ATOM 132 CA GLN 276 -6.064 44.057 59.150 1.00 73.92 C ATOM 133 CB GLN 276 -6.319 42.914 58.153 1.00 73.92 C ATOM 134 CG GLN 276 -7.202 43.309 56.968 1.00 73.92 C ATOM 135 CD GLN 276 -7.195 42.148 55.981 1.00 73.92 C ATOM 136 OE1 GLN 276 -8.246 41.670 55.561 1.00 73.92 O ATOM 137 NE2 GLN 276 -5.976 41.686 55.589 1.00 73.92 N ATOM 138 C GLN 276 -7.373 44.512 59.717 1.00 73.92 C ATOM 139 O GLN 276 -7.952 45.501 59.269 1.00 73.92 O ATOM 140 N LEU 277 -7.866 43.797 60.744 1.00 97.78 N ATOM 141 CA LEU 277 -9.127 44.109 61.349 1.00 97.78 C ATOM 142 CB LEU 277 -9.462 43.112 62.479 1.00 97.78 C ATOM 143 CG LEU 277 -10.916 43.115 62.999 1.00 97.78 C ATOM 144 CD1 LEU 277 -11.030 42.286 64.289 1.00 97.78 C ATOM 145 CD2 LEU 277 -11.514 44.523 63.127 1.00 97.78 C ATOM 146 C LEU 277 -8.993 45.476 61.952 1.00 97.78 C ATOM 147 O LEU 277 -9.889 46.312 61.840 1.00 97.78 O ATOM 148 N ASN 278 -7.837 45.746 62.588 1.00 59.76 N ATOM 149 CA ASN 278 -7.612 46.984 63.278 1.00 59.76 C ATOM 150 CB ASN 278 -6.206 47.043 63.901 1.00 59.76 C ATOM 151 CG ASN 278 -6.196 48.114 64.981 1.00 59.76 C ATOM 152 OD1 ASN 278 -6.563 49.263 64.747 1.00 59.76 O ATOM 153 ND2 ASN 278 -5.767 47.723 66.211 1.00 59.76 N ATOM 154 C ASN 278 -7.736 48.108 62.298 1.00 59.76 C ATOM 155 O ASN 278 -8.390 49.112 62.573 1.00 59.76 O ATOM 156 N ARG 279 -7.117 47.963 61.112 1.00 63.85 N ATOM 157 CA ARG 279 -7.182 48.999 60.120 1.00 63.85 C ATOM 158 CB ARG 279 -6.313 48.702 58.887 1.00 63.85 C ATOM 159 CG ARG 279 -6.369 49.784 57.804 1.00 63.85 C ATOM 160 CD ARG 279 -5.329 49.575 56.701 1.00 63.85 C ATOM 161 NE ARG 279 -5.671 50.472 55.563 1.00 63.85 N ATOM 162 CZ ARG 279 -6.446 49.995 54.546 1.00 63.85 C ATOM 163 NH1 ARG 279 -6.863 48.696 54.551 1.00 63.85 N ATOM 164 NH2 ARG 279 -6.797 50.818 53.516 1.00 63.85 N ATOM 165 C ARG 279 -8.603 49.151 59.677 1.00 63.85 C ATOM 166 O ARG 279 -9.100 50.268 59.538 1.00 63.85 O ATOM 167 N HIS 280 -9.306 48.020 59.468 1.00 35.60 N ATOM 168 CA HIS 280 -10.667 48.055 59.016 1.00 35.60 C ATOM 169 ND1 HIS 280 -12.813 46.224 57.000 1.00 35.60 N ATOM 170 CG HIS 280 -12.647 46.617 58.310 1.00 35.60 C ATOM 171 CB HIS 280 -11.323 46.661 59.013 1.00 35.60 C ATOM 172 NE2 HIS 280 -14.828 46.779 57.756 1.00 35.60 N ATOM 173 CD2 HIS 280 -13.888 46.949 58.757 1.00 35.60 C ATOM 174 CE1 HIS 280 -14.135 46.341 56.720 1.00 35.60 C ATOM 175 C HIS 280 -11.471 48.950 59.955 1.00 35.60 C ATOM 176 O HIS 280 -12.447 49.590 59.477 1.00 35.60 O ATOM 177 OXT HIS 280 -11.120 49.005 61.163 1.00 35.60 O