EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:03:36 REMARK 6 MODELLER OBJECTIVE FUNCTION: 100.5272 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 58.333 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1437.06152 REMARK 6 GA341 score: 0.98988 REMARK 6 Normalized DOPE score: -0.40513 REMARK 6 TEMPLATE: 2i13A02 75:A - 98:A MODELS 1: - 24: AT 58.3% ATOM 1 N GLU 203 -22.842 47.264 50.523 1.00 27.56 N ATOM 2 CA GLU 203 -22.532 46.466 51.732 1.00 27.56 C ATOM 3 CB GLU 203 -23.827 45.847 52.291 1.00 27.56 C ATOM 4 CG GLU 203 -23.684 45.187 53.663 1.00 27.56 C ATOM 5 CD GLU 203 -25.080 44.751 54.095 1.00 27.56 C ATOM 6 OE1 GLU 203 -26.046 45.026 53.332 1.00 27.56 O ATOM 7 OE2 GLU 203 -25.200 44.142 55.192 1.00 27.56 O ATOM 8 C GLU 203 -21.551 45.385 51.406 1.00 27.56 C ATOM 9 O GLU 203 -21.304 45.087 50.240 1.00 27.56 O ATOM 10 N LYS 204 -20.934 44.785 52.440 1.00 73.95 N ATOM 11 CA LYS 204 -19.973 43.750 52.191 1.00 73.95 C ATOM 12 CB LYS 204 -18.592 44.114 52.771 1.00 73.95 C ATOM 13 CG LYS 204 -17.933 45.270 52.005 1.00 73.95 C ATOM 14 CD LYS 204 -16.811 45.999 52.750 1.00 73.95 C ATOM 15 CE LYS 204 -17.234 47.375 53.274 1.00 73.95 C ATOM 16 NZ LYS 204 -16.059 48.104 53.801 1.00 73.95 N ATOM 17 C LYS 204 -20.482 42.511 52.864 1.00 73.95 C ATOM 18 O LYS 204 -20.325 42.319 54.067 1.00 73.95 O ATOM 19 N PRO 205 -21.113 41.676 52.083 1.00105.09 N ATOM 20 CA PRO 205 -21.712 40.468 52.596 1.00105.09 C ATOM 21 CD PRO 205 -21.834 42.193 50.929 1.00105.09 C ATOM 22 CB PRO 205 -22.686 40.001 51.516 1.00105.09 C ATOM 23 CG PRO 205 -23.064 41.290 50.768 1.00105.09 C ATOM 24 C PRO 205 -20.799 39.371 53.058 1.00105.09 C ATOM 25 O PRO 205 -21.228 38.577 53.896 1.00105.09 O ATOM 26 N PHE 206 -19.560 39.279 52.542 1.00 54.52 N ATOM 27 CA PHE 206 -18.745 38.147 52.893 1.00 54.52 C ATOM 28 CB PHE 206 -17.977 37.574 51.695 1.00 54.52 C ATOM 29 CG PHE 206 -19.002 37.078 50.739 1.00 54.52 C ATOM 30 CD1 PHE 206 -19.533 35.815 50.881 1.00 54.52 C ATOM 31 CD2 PHE 206 -19.438 37.876 49.709 1.00 54.52 C ATOM 32 CE1 PHE 206 -20.481 35.356 50.000 1.00 54.52 C ATOM 33 CE2 PHE 206 -20.389 37.421 48.825 1.00 54.52 C ATOM 34 CZ PHE 206 -20.911 36.159 48.970 1.00 54.52 C ATOM 35 C PHE 206 -17.745 38.559 53.921 1.00 54.52 C ATOM 36 O PHE 206 -17.005 39.523 53.727 1.00 54.52 O ATOM 37 N THR 207 -17.684 37.816 55.044 1.00104.12 N ATOM 38 CA THR 207 -16.786 38.192 56.097 1.00104.12 C ATOM 39 CB THR 207 -17.487 38.422 57.403 1.00104.12 C ATOM 40 OG1 THR 207 -18.082 37.214 57.860 1.00104.12 O ATOM 41 CG2 THR 207 -18.579 39.484 57.188 1.00104.12 C ATOM 42 C THR 207 -15.777 37.104 56.320 1.00104.12 C ATOM 43 O THR 207 -16.104 35.917 56.295 1.00104.12 O ATOM 44 N CYS 208 -14.506 37.508 56.531 1.00 43.30 N ATOM 45 CA CYS 208 -13.426 36.597 56.793 1.00 43.30 C ATOM 46 CB CYS 208 -12.038 37.235 56.608 1.00 43.30 C ATOM 47 SG CYS 208 -10.661 36.088 56.928 1.00 43.30 S ATOM 48 C CYS 208 -13.540 36.141 58.216 1.00 43.30 C ATOM 49 O CYS 208 -13.688 36.943 59.135 1.00 43.30 O ATOM 50 N THR 209 -13.448 34.818 58.432 1.00106.03 N ATOM 51 CA THR 209 -13.593 34.270 59.747 1.00106.03 C ATOM 52 CB THR 209 -13.588 32.766 59.753 1.00106.03 C ATOM 53 OG1 THR 209 -13.874 32.286 61.057 1.00106.03 O ATOM 54 CG2 THR 209 -12.218 32.251 59.275 1.00106.03 C ATOM 55 C THR 209 -12.483 34.737 60.637 1.00106.03 C ATOM 56 O THR 209 -12.718 35.054 61.805 1.00106.03 O ATOM 57 N GLN 210 -11.234 34.752 60.133 1.00108.78 N ATOM 58 CA GLN 210 -10.151 35.103 61.012 1.00108.78 C ATOM 59 CB GLN 210 -8.786 34.756 60.401 1.00108.78 C ATOM 60 CG GLN 210 -8.577 33.251 60.223 1.00108.78 C ATOM 61 CD GLN 210 -7.197 33.046 59.622 1.00108.78 C ATOM 62 OE1 GLN 210 -6.687 33.903 58.907 1.00108.78 O ATOM 63 NE2 GLN 210 -6.574 31.877 59.932 1.00108.78 N ATOM 64 C GLN 210 -10.119 36.562 61.383 1.00108.78 C ATOM 65 O GLN 210 -10.157 36.902 62.564 1.00108.78 O ATOM 66 N CYS 211 -10.028 37.447 60.365 1.00110.95 N ATOM 67 CA CYS 211 -9.876 38.874 60.522 1.00110.95 C ATOM 68 CB CYS 211 -9.554 39.584 59.197 1.00110.95 C ATOM 69 SG CYS 211 -8.132 38.908 58.311 1.00110.95 S ATOM 70 C CYS 211 -11.144 39.539 60.946 1.00110.95 C ATOM 71 O CYS 211 -11.157 40.386 61.835 1.00110.95 O ATOM 72 N GLY 212 -12.256 39.160 60.291 1.00 30.29 N ATOM 73 CA GLY 212 -13.497 39.832 60.512 1.00 30.29 C ATOM 74 C GLY 212 -13.655 40.864 59.427 1.00 30.29 C ATOM 75 O GLY 212 -14.635 41.606 59.414 1.00 30.29 O ATOM 76 N LYS 213 -12.687 40.940 58.487 1.00105.21 N ATOM 77 CA LYS 213 -12.766 41.884 57.403 1.00105.21 C ATOM 78 CB LYS 213 -11.468 41.979 56.581 1.00105.21 C ATOM 79 CG LYS 213 -11.531 43.015 55.457 1.00105.21 C ATOM 80 CD LYS 213 -10.175 43.294 54.800 1.00105.21 C ATOM 81 CE LYS 213 -9.366 44.395 55.486 1.00105.21 C ATOM 82 NZ LYS 213 -8.803 43.890 56.759 1.00105.21 N ATOM 83 C LYS 213 -13.858 41.440 56.473 1.00105.21 C ATOM 84 O LYS 213 -14.053 40.248 56.255 1.00105.21 O ATOM 85 N SER 214 -14.604 42.410 55.893 1.00 95.48 N ATOM 86 CA SER 214 -15.700 42.053 55.029 1.00 95.48 C ATOM 87 CB SER 214 -17.049 42.626 55.493 1.00 95.48 C ATOM 88 OG SER 214 -16.958 44.035 55.628 1.00 95.48 O ATOM 89 C SER 214 -15.425 42.529 53.633 1.00 95.48 C ATOM 90 O SER 214 -14.724 43.520 53.425 1.00 95.48 O ATOM 91 N PHE 215 -15.977 41.809 52.628 1.00147.34 N ATOM 92 CA PHE 215 -15.712 42.121 51.247 1.00147.34 C ATOM 93 CB PHE 215 -14.817 41.073 50.564 1.00147.34 C ATOM 94 CG PHE 215 -13.469 41.110 51.204 1.00147.34 C ATOM 95 CD1 PHE 215 -13.203 40.354 52.322 1.00147.34 C ATOM 96 CD2 PHE 215 -12.475 41.911 50.690 1.00147.34 C ATOM 97 CE1 PHE 215 -11.957 40.389 52.910 1.00147.34 C ATOM 98 CE2 PHE 215 -11.229 41.949 51.270 1.00147.34 C ATOM 99 CZ PHE 215 -10.969 41.188 52.385 1.00147.34 C ATOM 100 C PHE 215 -16.996 42.120 50.475 1.00147.34 C ATOM 101 O PHE 215 -17.972 41.466 50.835 1.00147.34 O ATOM 102 N SER 216 -17.015 42.904 49.380 1.00 37.58 N ATOM 103 CA SER 216 -18.152 42.975 48.512 1.00 37.58 C ATOM 104 CB SER 216 -18.083 44.149 47.522 1.00 37.58 C ATOM 105 OG SER 216 -17.009 43.960 46.615 1.00 37.58 O ATOM 106 C SER 216 -18.250 41.713 47.707 1.00 37.58 C ATOM 107 O SER 216 -19.349 41.317 47.319 1.00 37.58 O ATOM 108 N GLN 217 -17.109 41.038 47.429 1.00 53.03 N ATOM 109 CA GLN 217 -17.183 39.886 46.569 1.00 53.03 C ATOM 110 CB GLN 217 -16.420 40.046 45.246 1.00 53.03 C ATOM 111 CG GLN 217 -16.955 41.142 44.326 1.00 53.03 C ATOM 112 CD GLN 217 -16.146 41.082 43.037 1.00 53.03 C ATOM 113 OE1 GLN 217 -16.614 40.571 42.021 1.00 53.03 O ATOM 114 NE2 GLN 217 -14.891 41.601 43.076 1.00 53.03 N ATOM 115 C GLN 217 -16.589 38.673 47.223 1.00 53.03 C ATOM 116 O GLN 217 -15.617 38.749 47.973 1.00 53.03 O ATOM 117 N SER 218 -17.170 37.497 46.903 1.00 68.90 N ATOM 118 CA SER 218 -16.748 36.233 47.438 1.00 68.90 C ATOM 119 CB SER 218 -17.637 35.064 46.978 1.00 68.90 C ATOM 120 OG SER 218 -17.490 34.859 45.582 1.00 68.90 O ATOM 121 C SER 218 -15.359 35.922 46.975 1.00 68.90 C ATOM 122 O SER 218 -14.537 35.439 47.753 1.00 68.90 O ATOM 123 N SER 219 -15.059 36.195 45.690 1.00 69.03 N ATOM 124 CA SER 219 -13.770 35.869 45.147 1.00 69.03 C ATOM 125 CB SER 219 -13.647 36.159 43.638 1.00 69.03 C ATOM 126 OG SER 219 -14.439 35.246 42.889 1.00 69.03 O ATOM 127 C SER 219 -12.716 36.670 45.844 1.00 69.03 C ATOM 128 O SER 219 -11.625 36.165 46.107 1.00 69.03 O ATOM 129 N ASN 220 -13.014 37.943 46.163 1.00 33.98 N ATOM 130 CA ASN 220 -12.038 38.782 46.797 1.00 33.98 C ATOM 131 CB ASN 220 -12.517 40.233 47.000 1.00 33.98 C ATOM 132 CG ASN 220 -12.604 40.916 45.644 1.00 33.98 C ATOM 133 OD1 ASN 220 -12.184 40.363 44.628 1.00 33.98 O ATOM 134 ND2 ASN 220 -13.157 42.158 45.628 1.00 33.98 N ATOM 135 C ASN 220 -11.721 38.236 48.152 1.00 33.98 C ATOM 136 O ASN 220 -10.562 38.214 48.564 1.00 33.98 O ATOM 137 N LEU 221 -12.745 37.774 48.891 1.00101.76 N ATOM 138 CA LEU 221 -12.499 37.287 50.215 1.00101.76 C ATOM 139 CB LEU 221 -13.792 36.879 50.946 1.00101.76 C ATOM 140 CG LEU 221 -13.657 36.667 52.474 1.00101.76 C ATOM 141 CD1 LEU 221 -15.004 36.248 53.084 1.00101.76 C ATOM 142 CD2 LEU 221 -12.518 35.714 52.869 1.00101.76 C ATOM 143 C LEU 221 -11.620 36.080 50.091 1.00101.76 C ATOM 144 O LEU 221 -10.675 35.899 50.854 1.00101.76 O ATOM 145 N ASN 222 -11.895 35.241 49.079 1.00 77.53 N ATOM 146 CA ASN 222 -11.190 34.011 48.891 1.00 77.53 C ATOM 147 CB ASN 222 -11.641 33.296 47.608 1.00 77.53 C ATOM 148 CG ASN 222 -10.929 31.961 47.518 1.00 77.53 C ATOM 149 OD1 ASN 222 -10.198 31.700 46.564 1.00 77.53 O ATOM 150 ND2 ASN 222 -11.147 31.092 48.541 1.00 77.53 N ATOM 151 C ASN 222 -9.727 34.303 48.773 1.00 77.53 C ATOM 152 O ASN 222 -8.901 33.643 49.402 1.00 77.53 O ATOM 153 N LEU 223 -9.366 35.319 47.970 1.00 40.48 N ATOM 154 CA LEU 223 -7.981 35.645 47.784 1.00 40.48 C ATOM 155 CB LEU 223 -7.782 36.740 46.706 1.00 40.48 C ATOM 156 CG LEU 223 -6.329 37.068 46.278 1.00 40.48 C ATOM 157 CD1 LEU 223 -6.332 38.164 45.201 1.00 40.48 C ATOM 158 CD2 LEU 223 -5.410 37.443 47.451 1.00 40.48 C ATOM 159 C LEU 223 -7.445 36.125 49.102 1.00 40.48 C ATOM 160 O LEU 223 -6.327 35.781 49.487 1.00 40.48 O ATOM 161 N HIS 224 -8.249 36.912 49.841 1.00 47.62 N ATOM 162 CA HIS 224 -7.810 37.491 51.080 1.00 47.62 C ATOM 163 ND1 HIS 224 -7.591 40.078 53.111 1.00 47.62 N ATOM 164 CG HIS 224 -8.413 38.978 53.023 1.00 47.62 C ATOM 165 CB HIS 224 -8.888 38.370 51.740 1.00 47.62 C ATOM 166 NE2 HIS 224 -8.010 39.434 55.197 1.00 47.62 N ATOM 167 CD2 HIS 224 -8.660 38.599 54.308 1.00 47.62 C ATOM 168 CE1 HIS 224 -7.382 40.308 54.433 1.00 47.62 C ATOM 169 C HIS 224 -7.458 36.410 52.052 1.00 47.62 C ATOM 170 O HIS 224 -6.459 36.509 52.763 1.00 47.62 O ATOM 171 N MET 225 -8.259 35.334 52.101 1.00 52.54 N ATOM 172 CA MET 225 -8.007 34.303 53.069 1.00 52.54 C ATOM 173 CB MET 225 -9.022 33.152 53.008 1.00 52.54 C ATOM 174 CG MET 225 -10.407 33.533 53.520 1.00 52.54 C ATOM 175 SD MET 225 -11.596 32.158 53.495 1.00 52.54 S ATOM 176 CE MET 225 -12.728 32.917 54.692 1.00 52.54 C ATOM 177 C MET 225 -6.659 33.703 52.842 1.00 52.54 C ATOM 178 O MET 225 -5.930 33.453 53.800 1.00 52.54 O ATOM 179 N MET 226 -6.293 33.461 51.570 1.00 85.04 N ATOM 180 CA MET 226 -5.033 32.839 51.279 1.00 85.04 C ATOM 181 CB MET 226 -4.724 32.790 49.774 1.00 85.04 C ATOM 182 CG MET 226 -5.725 31.939 48.994 1.00 85.04 C ATOM 183 SD MET 226 -5.679 30.167 49.396 1.00 85.04 S ATOM 184 CE MET 226 -4.089 29.856 48.576 1.00 85.04 C ATOM 185 C MET 226 -3.917 33.624 51.957 1.00 85.04 C ATOM 186 O MET 226 -3.731 34.818 51.604 1.00 85.04 O ATOM 187 OXT MET 226 -3.235 33.040 52.840 1.00 85.04 O