EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:13:59 REMARK 6 MODELLER OBJECTIVE FUNCTION: 90.7363 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 52.174 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1427.44849 REMARK 6 GA341 score: 0.95650 REMARK 6 Normalized DOPE score: -0.32667 REMARK 6 TEMPLATE: 2i13A02 75:A - 97:A MODELS 1: - 23: AT 52.2% ATOM 1 N GLU 210 -21.511 32.248 44.285 1.00 61.67 N ATOM 2 CA GLU 210 -22.073 32.335 45.652 1.00 61.67 C ATOM 3 CB GLU 210 -23.571 32.682 45.592 1.00 61.67 C ATOM 4 CG GLU 210 -24.240 32.828 46.963 1.00 61.67 C ATOM 5 CD GLU 210 -23.930 34.213 47.522 1.00 61.67 C ATOM 6 OE1 GLU 210 -22.726 34.520 47.738 1.00 61.67 O ATOM 7 OE2 GLU 210 -24.900 34.988 47.743 1.00 61.67 O ATOM 8 C GLU 210 -21.919 31.028 46.352 1.00 61.67 C ATOM 9 O GLU 210 -21.954 29.968 45.730 1.00 61.67 O ATOM 10 N ARG 211 -21.702 31.075 47.678 1.00160.87 N ATOM 11 CA ARG 211 -21.567 29.863 48.429 1.00160.87 C ATOM 12 CB ARG 211 -20.302 29.859 49.302 1.00160.87 C ATOM 13 CG ARG 211 -18.998 29.958 48.504 1.00160.87 C ATOM 14 CD ARG 211 -18.880 31.234 47.662 1.00160.87 C ATOM 15 NE ARG 211 -18.529 32.381 48.550 1.00160.87 N ATOM 16 CZ ARG 211 -17.226 32.756 48.717 1.00160.87 C ATOM 17 NH1 ARG 211 -16.225 32.063 48.095 1.00160.87 N ATOM 18 NH2 ARG 211 -16.925 33.837 49.495 1.00160.87 N ATOM 19 C ARG 211 -22.745 29.830 49.347 1.00160.87 C ATOM 20 O ARG 211 -22.759 30.466 50.400 1.00160.87 O ATOM 21 N PRO 212 -23.742 29.107 48.935 1.00108.23 N ATOM 22 CA PRO 212 -24.957 29.038 49.700 1.00108.23 C ATOM 23 CD PRO 212 -24.006 29.021 47.507 1.00108.23 C ATOM 24 CB PRO 212 -26.019 28.489 48.748 1.00108.23 C ATOM 25 CG PRO 212 -25.535 28.947 47.363 1.00108.23 C ATOM 26 C PRO 212 -24.888 28.302 51.001 1.00108.23 C ATOM 27 O PRO 212 -25.745 28.541 51.851 1.00108.23 O ATOM 28 N TYR 213 -23.904 27.411 51.207 1.00 67.79 N ATOM 29 CA TYR 213 -23.967 26.638 52.412 1.00 67.79 C ATOM 30 CB TYR 213 -23.885 25.131 52.124 1.00 67.79 C ATOM 31 CG TYR 213 -25.181 24.822 51.450 1.00 67.79 C ATOM 32 CD1 TYR 213 -26.277 24.482 52.206 1.00 67.79 C ATOM 33 CD2 TYR 213 -25.312 24.895 50.080 1.00 67.79 C ATOM 34 CE1 TYR 213 -27.481 24.205 51.609 1.00 67.79 C ATOM 35 CE2 TYR 213 -26.518 24.618 49.477 1.00 67.79 C ATOM 36 CZ TYR 213 -27.607 24.273 50.243 1.00 67.79 C ATOM 37 OH TYR 213 -28.848 23.988 49.632 1.00 67.79 O ATOM 38 C TYR 213 -22.874 27.059 53.339 1.00 67.79 C ATOM 39 O TYR 213 -21.694 26.998 53.001 1.00 67.79 O ATOM 40 N THR 214 -23.252 27.500 54.559 1.00102.67 N ATOM 41 CA THR 214 -22.256 27.991 55.465 1.00102.67 C ATOM 42 CB THR 214 -22.508 29.395 55.936 1.00102.67 C ATOM 43 OG1 THR 214 -21.360 29.898 56.603 1.00102.67 O ATOM 44 CG2 THR 214 -23.709 29.388 56.898 1.00102.67 C ATOM 45 C THR 214 -22.201 27.119 56.679 1.00102.67 C ATOM 46 O THR 214 -23.209 26.557 57.109 1.00102.67 O ATOM 47 N CYS 215 -20.984 26.978 57.244 1.00 44.30 N ATOM 48 CA CYS 215 -20.761 26.174 58.410 1.00 44.30 C ATOM 49 CB CYS 215 -19.269 25.892 58.674 1.00 44.30 C ATOM 50 SG CYS 215 -18.996 24.869 60.152 1.00 44.30 S ATOM 51 C CYS 215 -21.308 26.907 59.583 1.00 44.30 C ATOM 52 O CYS 215 -21.035 28.090 59.776 1.00 44.30 O ATOM 53 N GLN 216 -22.099 26.203 60.412 1.00 74.28 N ATOM 54 CA GLN 216 -22.712 26.849 61.527 1.00 74.28 C ATOM 55 CB GLN 216 -23.592 25.890 62.349 1.00 74.28 C ATOM 56 CG GLN 216 -24.869 25.451 61.632 1.00 74.28 C ATOM 57 CD GLN 216 -25.933 26.493 61.944 1.00 74.28 C ATOM 58 OE1 GLN 216 -25.808 27.250 62.904 1.00 74.28 O ATOM 59 NE2 GLN 216 -27.012 26.538 61.118 1.00 74.28 N ATOM 60 C GLN 216 -21.642 27.333 62.440 1.00 74.28 C ATOM 61 O GLN 216 -21.695 28.463 62.923 1.00 74.28 O ATOM 62 N GLN 217 -20.646 26.476 62.722 1.00123.78 N ATOM 63 CA GLN 217 -19.677 26.870 63.700 1.00123.78 C ATOM 64 CB GLN 217 -18.873 25.657 64.178 1.00123.78 C ATOM 65 CG GLN 217 -19.795 24.643 64.858 1.00123.78 C ATOM 66 CD GLN 217 -18.999 23.408 65.251 1.00123.78 C ATOM 67 OE1 GLN 217 -19.243 22.313 64.748 1.00123.78 O ATOM 68 NE2 GLN 217 -18.034 23.576 66.194 1.00123.78 N ATOM 69 C GLN 217 -18.722 27.950 63.260 1.00123.78 C ATOM 70 O GLN 217 -18.668 29.013 63.879 1.00123.78 O ATOM 71 N CYS 218 -17.937 27.692 62.185 1.00 60.25 N ATOM 72 CA CYS 218 -16.916 28.602 61.713 1.00 60.25 C ATOM 73 CB CYS 218 -15.824 27.913 60.875 1.00 60.25 C ATOM 74 SG CYS 218 -16.452 27.170 59.345 1.00 60.25 S ATOM 75 C CYS 218 -17.457 29.756 60.923 1.00 60.25 C ATOM 76 O CYS 218 -16.988 30.886 61.052 1.00 60.25 O ATOM 77 N GLY 219 -18.463 29.503 60.066 1.00 30.13 N ATOM 78 CA GLY 219 -19.006 30.570 59.275 1.00 30.13 C ATOM 79 C GLY 219 -18.464 30.505 57.877 1.00 30.13 C ATOM 80 O GLY 219 -18.807 31.339 57.041 1.00 30.13 O ATOM 81 N LYS 220 -17.591 29.523 57.580 1.00 73.71 N ATOM 82 CA LYS 220 -17.045 29.407 56.256 1.00 73.71 C ATOM 83 CB LYS 220 -15.840 28.457 56.183 1.00 73.71 C ATOM 84 CG LYS 220 -15.075 28.534 54.863 1.00 73.71 C ATOM 85 CD LYS 220 -13.714 27.840 54.915 1.00 73.71 C ATOM 86 CE LYS 220 -12.920 27.969 53.615 1.00 73.71 C ATOM 87 NZ LYS 220 -12.173 29.245 53.614 1.00 73.71 N ATOM 88 C LYS 220 -18.121 28.886 55.352 1.00 73.71 C ATOM 89 O LYS 220 -18.929 28.048 55.750 1.00 73.71 O ATOM 90 N SER 221 -18.152 29.372 54.094 1.00 97.52 N ATOM 91 CA SER 221 -19.208 28.976 53.204 1.00 97.52 C ATOM 92 CB SER 221 -20.024 30.165 52.674 1.00 97.52 C ATOM 93 OG SER 221 -19.160 31.105 52.059 1.00 97.52 O ATOM 94 C SER 221 -18.655 28.216 52.038 1.00 97.52 C ATOM 95 O SER 221 -17.493 28.375 51.666 1.00 97.52 O ATOM 96 N PHE 222 -19.506 27.346 51.444 1.00144.03 N ATOM 97 CA PHE 222 -19.079 26.470 50.388 1.00144.03 C ATOM 98 CB PHE 222 -18.937 25.013 50.866 1.00144.03 C ATOM 99 CG PHE 222 -17.821 24.925 51.853 1.00144.03 C ATOM 100 CD1 PHE 222 -18.048 25.154 53.193 1.00144.03 C ATOM 101 CD2 PHE 222 -16.546 24.615 51.439 1.00144.03 C ATOM 102 CE1 PHE 222 -17.025 25.075 54.107 1.00144.03 C ATOM 103 CE2 PHE 222 -15.518 24.533 52.349 1.00144.03 C ATOM 104 CZ PHE 222 -15.755 24.761 53.685 1.00144.03 C ATOM 105 C PHE 222 -20.094 26.454 49.281 1.00144.03 C ATOM 106 O PHE 222 -21.280 26.706 49.484 1.00144.03 O ATOM 107 N TYR 223 -19.612 26.176 48.051 1.00106.47 N ATOM 108 CA TYR 223 -20.438 26.048 46.884 1.00106.47 C ATOM 109 CB TYR 223 -19.650 25.960 45.564 1.00106.47 C ATOM 110 CG TYR 223 -20.631 25.569 44.510 1.00106.47 C ATOM 111 CD1 TYR 223 -21.578 26.457 44.055 1.00106.47 C ATOM 112 CD2 TYR 223 -20.597 24.308 43.960 1.00106.47 C ATOM 113 CE1 TYR 223 -22.480 26.087 43.081 1.00106.47 C ATOM 114 CE2 TYR 223 -21.493 23.934 42.988 1.00106.47 C ATOM 115 CZ TYR 223 -22.441 24.822 42.545 1.00106.47 C ATOM 116 OH TYR 223 -23.363 24.435 41.548 1.00106.47 O ATOM 117 C TYR 223 -21.258 24.801 46.981 1.00106.47 C ATOM 118 O TYR 223 -22.421 24.795 46.579 1.00106.47 O ATOM 119 N ASN 224 -20.659 23.709 47.508 1.00 46.76 N ATOM 120 CA ASN 224 -21.328 22.434 47.501 1.00 46.76 C ATOM 121 CB ASN 224 -20.479 21.286 46.912 1.00 46.76 C ATOM 122 CG ASN 224 -20.251 21.496 45.422 1.00 46.76 C ATOM 123 OD1 ASN 224 -21.193 21.659 44.648 1.00 46.76 O ATOM 124 ND2 ASN 224 -18.957 21.471 45.003 1.00 46.76 N ATOM 125 C ASN 224 -21.665 21.990 48.893 1.00 46.76 C ATOM 126 O ASN 224 -20.928 22.225 49.850 1.00 46.76 O ATOM 127 N THR 225 -22.820 21.306 49.016 1.00100.06 N ATOM 128 CA THR 225 -23.295 20.768 50.258 1.00100.06 C ATOM 129 CB THR 225 -24.640 20.114 50.130 1.00100.06 C ATOM 130 OG1 THR 225 -24.558 18.998 49.257 1.00100.06 O ATOM 131 CG2 THR 225 -25.634 21.137 49.564 1.00100.06 C ATOM 132 C THR 225 -22.349 19.699 50.703 1.00100.06 C ATOM 133 O THR 225 -21.976 19.629 51.872 1.00100.06 O ATOM 134 N GLY 226 -21.913 18.845 49.758 1.00 17.61 N ATOM 135 CA GLY 226 -21.066 17.737 50.092 1.00 17.61 C ATOM 136 C GLY 226 -19.786 18.241 50.674 1.00 17.61 C ATOM 137 O GLY 226 -19.275 17.667 51.635 1.00 17.61 O ATOM 138 N ASN 227 -19.221 19.321 50.099 1.00 26.55 N ATOM 139 CA ASN 227 -17.975 19.829 50.595 1.00 26.55 C ATOM 140 CB ASN 227 -17.417 21.002 49.774 1.00 26.55 C ATOM 141 CG ASN 227 -16.918 20.449 48.448 1.00 26.55 C ATOM 142 OD1 ASN 227 -16.684 19.250 48.313 1.00 26.55 O ATOM 143 ND2 ASN 227 -16.744 21.350 47.444 1.00 26.55 N ATOM 144 C ASN 227 -18.184 20.324 51.984 1.00 26.55 C ATOM 145 O ASN 227 -17.336 20.146 52.855 1.00 26.55 O ATOM 146 N PHE 228 -19.338 20.966 52.225 1.00 55.60 N ATOM 147 CA PHE 228 -19.617 21.504 53.519 1.00 55.60 C ATOM 148 CB PHE 228 -20.952 22.261 53.548 1.00 55.60 C ATOM 149 CG PHE 228 -21.219 22.523 54.978 1.00 55.60 C ATOM 150 CD1 PHE 228 -20.401 23.381 55.664 1.00 55.60 C ATOM 151 CD2 PHE 228 -22.234 21.872 55.637 1.00 55.60 C ATOM 152 CE1 PHE 228 -20.630 23.614 56.994 1.00 55.60 C ATOM 153 CE2 PHE 228 -22.467 22.110 56.971 1.00 55.60 C ATOM 154 CZ PHE 228 -21.661 22.988 57.653 1.00 55.60 C ATOM 155 C PHE 228 -19.661 20.388 54.517 1.00 55.60 C ATOM 156 O PHE 228 -19.091 20.490 55.605 1.00 55.60 O ATOM 157 N ALA 229 -20.312 19.269 54.155 1.00 23.95 N ATOM 158 CA ALA 229 -20.466 18.183 55.077 1.00 23.95 C ATOM 159 CB ALA 229 -21.231 16.995 54.466 1.00 23.95 C ATOM 160 C ALA 229 -19.112 17.694 55.480 1.00 23.95 C ATOM 161 O ALA 229 -18.862 17.444 56.658 1.00 23.95 O ATOM 162 N ALA 230 -18.189 17.562 54.512 1.00 18.72 N ATOM 163 CA ALA 230 -16.879 17.070 54.823 1.00 18.72 C ATOM 164 CB ALA 230 -15.982 16.917 53.582 1.00 18.72 C ATOM 165 C ALA 230 -16.219 18.041 55.748 1.00 18.72 C ATOM 166 O ALA 230 -15.551 17.646 56.702 1.00 18.72 O ATOM 167 N HIS 231 -16.417 19.349 55.496 1.00 39.20 N ATOM 168 CA HIS 231 -15.764 20.358 56.274 1.00 39.20 C ATOM 169 ND1 HIS 231 -14.094 23.254 56.183 1.00 39.20 N ATOM 170 CG HIS 231 -15.355 22.844 56.556 1.00 39.20 C ATOM 171 CB HIS 231 -16.140 21.785 55.835 1.00 39.20 C ATOM 172 NE2 HIS 231 -14.648 24.452 57.973 1.00 39.20 N ATOM 173 CD2 HIS 231 -15.678 23.584 57.650 1.00 39.20 C ATOM 174 CE1 HIS 231 -13.720 24.217 57.065 1.00 39.20 C ATOM 175 C HIS 231 -16.171 20.202 57.696 1.00 39.20 C ATOM 176 O HIS 231 -15.327 20.230 58.589 1.00 39.20 O ATOM 177 N MET 232 -17.478 20.022 57.958 1.00 55.69 N ATOM 178 CA MET 232 -17.874 19.891 59.328 1.00 55.69 C ATOM 179 CB MET 232 -19.389 19.973 59.564 1.00 55.69 C ATOM 180 CG MET 232 -19.744 20.047 61.051 1.00 55.69 C ATOM 181 SD MET 232 -21.522 20.150 61.399 1.00 55.69 S ATOM 182 CE MET 232 -21.740 21.763 60.596 1.00 55.69 C ATOM 183 C MET 232 -17.427 18.522 59.811 1.00 55.69 C ATOM 184 O MET 232 -17.582 18.258 61.035 1.00 55.69 O ATOM 185 OXT MET 232 -16.936 17.724 58.968 1.00 55.69 O