EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:05:19 REMARK 6 MODELLER OBJECTIVE FUNCTION: 92.2556 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 47.619 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1255.72192 REMARK 6 GA341 score: 0.79754 REMARK 6 Normalized DOPE score: 0.21726 REMARK 6 TEMPLATE: 2i13A02 75:A - 95:A MODELS 1: - 21: AT 47.6% ATOM 1 N GLU 203 -1.666 27.198 62.244 1.00 85.71 N ATOM 2 CA GLU 203 -3.104 27.191 61.897 1.00 85.71 C ATOM 3 CB GLU 203 -3.879 26.198 62.780 1.00 85.71 C ATOM 4 CG GLU 203 -4.085 26.647 64.232 1.00 85.71 C ATOM 5 CD GLU 203 -2.738 26.772 64.915 1.00 85.71 C ATOM 6 OE1 GLU 203 -1.936 25.803 64.836 1.00 85.71 O ATOM 7 OE2 GLU 203 -2.491 27.851 65.516 1.00 85.71 O ATOM 8 C GLU 203 -3.692 28.548 62.108 1.00 85.71 C ATOM 9 O GLU 203 -2.966 29.535 62.212 1.00 85.71 O ATOM 10 N LYS 204 -5.034 28.639 62.137 1.00 71.81 N ATOM 11 CA LYS 204 -5.652 29.915 62.361 1.00 71.81 C ATOM 12 CB LYS 204 -6.359 30.455 61.108 1.00 71.81 C ATOM 13 CG LYS 204 -5.453 30.537 59.877 1.00 71.81 C ATOM 14 CD LYS 204 -6.208 30.814 58.574 1.00 71.81 C ATOM 15 CE LYS 204 -5.341 30.688 57.318 1.00 71.81 C ATOM 16 NZ LYS 204 -5.570 29.371 56.675 1.00 71.81 N ATOM 17 C LYS 204 -6.715 29.689 63.391 1.00 71.81 C ATOM 18 O LYS 204 -7.714 29.033 63.112 1.00 71.81 O ATOM 19 N PRO 205 -6.528 30.188 64.579 1.00107.20 N ATOM 20 CA PRO 205 -7.515 29.961 65.597 1.00107.20 C ATOM 21 CD PRO 205 -5.186 30.260 65.140 1.00107.20 C ATOM 22 CB PRO 205 -6.813 30.176 66.932 1.00107.20 C ATOM 23 CG PRO 205 -5.334 29.887 66.621 1.00107.20 C ATOM 24 C PRO 205 -8.792 30.745 65.495 1.00107.20 C ATOM 25 O PRO 205 -9.780 30.311 66.085 1.00107.20 O ATOM 26 N PHE 206 -8.821 31.885 64.782 1.00 60.74 N ATOM 27 CA PHE 206 -10.017 32.675 64.856 1.00 60.74 C ATOM 28 CB PHE 206 -9.758 34.186 64.948 1.00 60.74 C ATOM 29 CG PHE 206 -9.049 34.386 66.237 1.00 60.74 C ATOM 30 CD1 PHE 206 -9.759 34.560 67.403 1.00 60.74 C ATOM 31 CD2 PHE 206 -7.674 34.382 66.273 1.00 60.74 C ATOM 32 CE1 PHE 206 -9.103 34.736 68.600 1.00 60.74 C ATOM 33 CE2 PHE 206 -7.014 34.563 67.464 1.00 60.74 C ATOM 34 CZ PHE 206 -7.730 34.743 68.626 1.00 60.74 C ATOM 35 C PHE 206 -10.850 32.443 63.642 1.00 60.74 C ATOM 36 O PHE 206 -10.347 32.419 62.521 1.00 60.74 O ATOM 37 N SER 207 -12.168 32.247 63.847 1.00 71.48 N ATOM 38 CA SER 207 -13.045 32.053 62.731 1.00 71.48 C ATOM 39 CB SER 207 -13.747 30.678 62.710 1.00 71.48 C ATOM 40 OG SER 207 -14.612 30.588 61.589 1.00 71.48 O ATOM 41 C SER 207 -14.112 33.100 62.809 1.00 71.48 C ATOM 42 O SER 207 -14.630 33.387 63.887 1.00 71.48 O ATOM 43 N CYS 208 -14.436 33.719 61.657 1.00 42.52 N ATOM 44 CA CYS 208 -15.468 34.717 61.624 1.00 42.52 C ATOM 45 CB CYS 208 -15.374 35.644 60.398 1.00 42.52 C ATOM 46 SG CYS 208 -16.678 36.910 60.373 1.00 42.52 S ATOM 47 C CYS 208 -16.777 33.994 61.558 1.00 42.52 C ATOM 48 O CYS 208 -16.937 33.053 60.784 1.00 42.52 O ATOM 49 N THR 209 -17.759 34.415 62.381 1.00 43.69 N ATOM 50 CA THR 209 -19.022 33.729 62.390 1.00 43.69 C ATOM 51 CB THR 209 -19.981 34.226 63.428 1.00 43.69 C ATOM 52 OG1 THR 209 -19.435 34.075 64.731 1.00 43.69 O ATOM 53 CG2 THR 209 -21.273 33.403 63.298 1.00 43.69 C ATOM 54 C THR 209 -19.725 33.887 61.079 1.00 43.69 C ATOM 55 O THR 209 -20.310 32.935 60.562 1.00 43.69 O ATOM 56 N GLN 210 -19.741 35.110 60.521 1.00108.80 N ATOM 57 CA GLN 210 -20.526 35.270 59.332 1.00108.80 C ATOM 58 CB GLN 210 -20.759 36.741 58.967 1.00108.80 C ATOM 59 CG GLN 210 -21.910 36.937 57.981 1.00108.80 C ATOM 60 CD GLN 210 -23.199 36.894 58.790 1.00108.80 C ATOM 61 OE1 GLN 210 -24.296 36.925 58.237 1.00108.80 O ATOM 62 NE2 GLN 210 -23.071 36.809 60.142 1.00108.80 N ATOM 63 C GLN 210 -19.900 34.603 58.141 1.00108.80 C ATOM 64 O GLN 210 -20.547 33.813 57.454 1.00108.80 O ATOM 65 N CYS 211 -18.619 34.931 57.873 1.00 91.30 N ATOM 66 CA CYS 211 -17.868 34.453 56.743 1.00 91.30 C ATOM 67 CB CYS 211 -16.556 35.240 56.589 1.00 91.30 C ATOM 68 SG CYS 211 -15.524 34.665 55.213 1.00 91.30 S ATOM 69 C CYS 211 -17.511 32.999 56.876 1.00 91.30 C ATOM 70 O CYS 211 -17.703 32.217 55.946 1.00 91.30 O ATOM 71 N GLY 212 -16.983 32.600 58.051 1.00 25.47 N ATOM 72 CA GLY 212 -16.560 31.245 58.272 1.00 25.47 C ATOM 73 C GLY 212 -15.091 31.154 58.001 1.00 25.47 C ATOM 74 O GLY 212 -14.480 30.104 58.202 1.00 25.47 O ATOM 75 N LYS 213 -14.483 32.266 57.544 1.00 83.24 N ATOM 76 CA LYS 213 -13.086 32.264 57.233 1.00 83.24 C ATOM 77 CB LYS 213 -12.663 33.498 56.414 1.00 83.24 C ATOM 78 CG LYS 213 -11.221 33.451 55.901 1.00 83.24 C ATOM 79 CD LYS 213 -10.935 34.492 54.812 1.00 83.24 C ATOM 80 CE LYS 213 -9.450 34.624 54.461 1.00 83.24 C ATOM 81 NZ LYS 213 -8.898 33.318 54.042 1.00 83.24 N ATOM 82 C LYS 213 -12.315 32.252 58.518 1.00 83.24 C ATOM 83 O LYS 213 -12.760 32.797 59.526 1.00 83.24 O ATOM 84 N SER 214 -11.123 31.612 58.515 1.00 54.24 N ATOM 85 CA SER 214 -10.321 31.536 59.708 1.00 54.24 C ATOM 86 CB SER 214 -9.806 30.116 60.022 1.00 54.24 C ATOM 87 OG SER 214 -10.887 29.250 60.335 1.00 54.24 O ATOM 88 C SER 214 -9.123 32.413 59.510 1.00 54.24 C ATOM 89 O SER 214 -8.637 32.559 58.390 1.00 54.24 O ATOM 90 N PHE 215 -8.614 33.021 60.602 1.00135.52 N ATOM 91 CA PHE 215 -7.514 33.936 60.474 1.00135.52 C ATOM 92 CB PHE 215 -7.917 35.388 60.784 1.00135.52 C ATOM 93 CG PHE 215 -8.881 35.824 59.729 1.00135.52 C ATOM 94 CD1 PHE 215 -10.233 35.602 59.862 1.00135.52 C ATOM 95 CD2 PHE 215 -8.428 36.444 58.588 1.00135.52 C ATOM 96 CE1 PHE 215 -11.110 36.003 58.877 1.00135.52 C ATOM 97 CE2 PHE 215 -9.298 36.848 57.602 1.00135.52 C ATOM 98 CZ PHE 215 -10.648 36.629 57.741 1.00135.52 C ATOM 99 C PHE 215 -6.415 33.552 61.412 1.00135.52 C ATOM 100 O PHE 215 -6.644 32.972 62.473 1.00135.52 O ATOM 101 N ARG 216 -5.169 33.866 61.004 1.00 60.49 N ATOM 102 CA ARG 216 -4.007 33.563 61.780 1.00 60.49 C ATOM 103 CB ARG 216 -2.684 33.838 61.046 1.00 60.49 C ATOM 104 CG ARG 216 -2.404 32.832 59.925 1.00 60.49 C ATOM 105 CD ARG 216 -0.947 32.834 59.456 1.00 60.49 C ATOM 106 NE ARG 216 -0.755 31.676 58.540 1.00 60.49 N ATOM 107 CZ ARG 216 0.489 31.130 58.397 1.00 60.49 C ATOM 108 NH1 ARG 216 1.536 31.621 59.122 1.00 60.49 N ATOM 109 NH2 ARG 216 0.688 30.094 57.532 1.00 60.49 N ATOM 110 C ARG 216 -4.025 34.379 63.028 1.00 60.49 C ATOM 111 O ARG 216 -3.610 33.908 64.085 1.00 60.49 O ATOM 112 N HIS 217 -4.496 35.640 62.963 1.00105.66 N ATOM 113 CA HIS 217 -4.416 36.366 64.197 1.00105.66 C ATOM 114 ND1 HIS 217 -2.295 37.004 66.520 1.00105.66 N ATOM 115 CG HIS 217 -2.938 37.824 65.618 1.00105.66 C ATOM 116 CB HIS 217 -3.285 37.397 64.225 1.00105.66 C ATOM 117 NE2 HIS 217 -2.616 38.948 67.547 1.00105.66 N ATOM 118 CD2 HIS 217 -3.129 39.008 66.263 1.00105.66 C ATOM 119 CE1 HIS 217 -2.127 37.726 67.654 1.00105.66 C ATOM 120 C HIS 217 -5.696 37.094 64.468 1.00105.66 C ATOM 121 O HIS 217 -6.518 37.313 63.581 1.00105.66 O ATOM 122 N SER 218 -5.872 37.484 65.746 1.00 73.32 N ATOM 123 CA SER 218 -7.041 38.158 66.232 1.00 73.32 C ATOM 124 CB SER 218 -6.986 38.410 67.747 1.00 73.32 C ATOM 125 OG SER 218 -5.943 39.327 68.051 1.00 73.32 O ATOM 126 C SER 218 -7.147 39.497 65.583 1.00 73.32 C ATOM 127 O SER 218 -8.250 39.968 65.303 1.00 73.32 O ATOM 128 N LEU 219 -5.997 40.134 65.301 1.00 43.90 N ATOM 129 CA LEU 219 -6.005 41.471 64.786 1.00 43.90 C ATOM 130 CB LEU 219 -4.592 41.964 64.422 1.00 43.90 C ATOM 131 CG LEU 219 -3.570 41.974 65.578 1.00 43.90 C ATOM 132 CD1 LEU 219 -2.205 42.489 65.100 1.00 43.90 C ATOM 133 CD2 LEU 219 -4.092 42.743 66.799 1.00 43.90 C ATOM 134 C LEU 219 -6.766 41.473 63.502 1.00 43.90 C ATOM 135 O LEU 219 -7.642 42.308 63.285 1.00 43.90 O ATOM 136 N PHE 220 -6.438 40.514 62.617 1.00 51.09 N ATOM 137 CA PHE 220 -7.056 40.461 61.323 1.00 51.09 C ATOM 138 CB PHE 220 -6.397 39.477 60.346 1.00 51.09 C ATOM 139 CG PHE 220 -5.130 40.140 59.950 1.00 51.09 C ATOM 140 CD1 PHE 220 -5.128 41.070 58.937 1.00 51.09 C ATOM 141 CD2 PHE 220 -3.955 39.865 60.609 1.00 51.09 C ATOM 142 CE1 PHE 220 -3.963 41.702 58.571 1.00 51.09 C ATOM 143 CE2 PHE 220 -2.786 40.491 60.248 1.00 51.09 C ATOM 144 CZ PHE 220 -2.788 41.410 59.224 1.00 51.09 C ATOM 145 C PHE 220 -8.502 40.127 61.423 1.00 51.09 C ATOM 146 O PHE 220 -9.322 40.732 60.731 1.00 51.09 O ATOM 147 N LEU 221 -8.863 39.164 62.289 1.00 53.60 N ATOM 148 CA LEU 221 -10.248 38.803 62.347 1.00 53.60 C ATOM 149 CB LEU 221 -10.541 37.670 63.344 1.00 53.60 C ATOM 150 CG LEU 221 -12.017 37.233 63.324 1.00 53.60 C ATOM 151 CD1 LEU 221 -12.431 36.753 61.922 1.00 53.60 C ATOM 152 CD2 LEU 221 -12.302 36.171 64.393 1.00 53.60 C ATOM 153 C LEU 221 -11.001 40.019 62.775 1.00 53.60 C ATOM 154 O LEU 221 -12.071 40.312 62.249 1.00 53.60 O ATOM 155 N LYS 222 -10.435 40.769 63.734 1.00105.47 N ATOM 156 CA LYS 222 -11.042 41.973 64.219 1.00105.47 C ATOM 157 CB LYS 222 -10.185 42.641 65.312 1.00105.47 C ATOM 158 CG LYS 222 -10.765 43.938 65.875 1.00105.47 C ATOM 159 CD LYS 222 -9.954 44.506 67.046 1.00105.47 C ATOM 160 CE LYS 222 -10.614 45.692 67.753 1.00105.47 C ATOM 161 NZ LYS 222 -11.027 46.705 66.758 1.00105.47 N ATOM 162 C LYS 222 -11.100 42.950 63.086 1.00105.47 C ATOM 163 O LYS 222 -12.142 43.543 62.807 1.00105.47 O ATOM 164 N GLN 223 -9.964 43.111 62.380 1.00 78.63 N ATOM 165 CA GLN 223 -9.883 44.092 61.336 1.00 78.63 C ATOM 166 CB GLN 223 -8.922 45.243 61.696 1.00 78.63 C ATOM 167 CG GLN 223 -8.773 46.340 60.634 1.00 78.63 C ATOM 168 CD GLN 223 -7.779 47.370 61.163 1.00 78.63 C ATOM 169 OE1 GLN 223 -7.672 48.477 60.638 1.00 78.63 O ATOM 170 NE2 GLN 223 -7.034 46.995 62.238 1.00 78.63 N ATOM 171 C GLN 223 -9.327 43.406 60.088 1.00 78.63 C ATOM 172 O GLN 223 -10.135 42.892 59.270 1.00 78.63 O ATOM 173 OXT GLN 223 -8.075 43.406 59.928 1.00 78.63 O