EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:14:18 REMARK 6 MODELLER OBJECTIVE FUNCTION: 88.1178 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 43.478 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1625.13757 REMARK 6 GA341 score: 0.84300 REMARK 6 Normalized DOPE score: -0.47602 REMARK 6 TEMPLATE: 2i13A02 75:A - 97:A MODELS 1: - 23: AT 43.5% ATOM 1 N GLU 202 -10.404 23.510 47.077 1.00 58.47 N ATOM 2 CA GLU 202 -11.793 23.768 47.519 1.00 58.47 C ATOM 3 CB GLU 202 -12.508 22.445 47.847 1.00 58.47 C ATOM 4 CG GLU 202 -12.771 21.558 46.628 1.00 58.47 C ATOM 5 CD GLU 202 -13.379 20.255 47.129 1.00 58.47 C ATOM 6 OE1 GLU 202 -12.634 19.471 47.781 1.00 58.47 O ATOM 7 OE2 GLU 202 -14.588 20.025 46.871 1.00 58.47 O ATOM 8 C GLU 202 -11.818 24.623 48.742 1.00 58.47 C ATOM 9 O GLU 202 -10.805 24.795 49.418 1.00 58.47 O ATOM 10 N THR 203 -12.992 25.216 49.034 1.00108.00 N ATOM 11 CA THR 203 -13.127 26.035 50.202 1.00108.00 C ATOM 12 CB THR 203 -13.541 27.433 49.867 1.00108.00 C ATOM 13 OG1 THR 203 -14.742 27.405 49.112 1.00108.00 O ATOM 14 CG2 THR 203 -12.423 28.104 49.054 1.00108.00 C ATOM 15 C THR 203 -14.188 25.431 51.065 1.00108.00 C ATOM 16 O THR 203 -15.386 25.605 50.847 1.00108.00 O ATOM 17 N PRO 204 -13.739 24.701 52.040 1.00109.78 N ATOM 18 CA PRO 204 -14.660 24.047 52.929 1.00109.78 C ATOM 19 CD PRO 204 -12.550 23.894 51.811 1.00109.78 C ATOM 20 CB PRO 204 -13.875 22.915 53.587 1.00109.78 C ATOM 21 CG PRO 204 -12.799 22.568 52.546 1.00109.78 C ATOM 22 C PRO 204 -15.396 24.908 53.912 1.00109.78 C ATOM 23 O PRO 204 -16.406 24.445 54.437 1.00109.78 O ATOM 24 N PHE 205 -14.934 26.139 54.207 1.00 56.10 N ATOM 25 CA PHE 205 -15.631 26.873 55.228 1.00 56.10 C ATOM 26 CB PHE 205 -14.701 27.647 56.178 1.00 56.10 C ATOM 27 CG PHE 205 -13.906 26.623 56.907 1.00 56.10 C ATOM 28 CD1 PHE 205 -14.461 25.941 57.965 1.00 56.10 C ATOM 29 CD2 PHE 205 -12.612 26.347 56.533 1.00 56.10 C ATOM 30 CE1 PHE 205 -13.730 24.992 58.639 1.00 56.10 C ATOM 31 CE2 PHE 205 -11.876 25.399 57.204 1.00 56.10 C ATOM 32 CZ PHE 205 -12.437 24.720 58.258 1.00 56.10 C ATOM 33 C PHE 205 -16.556 27.851 54.583 1.00 56.10 C ATOM 34 O PHE 205 -16.142 28.663 53.760 1.00 56.10 O ATOM 35 N THR 206 -17.849 27.800 54.975 1.00103.80 N ATOM 36 CA THR 206 -18.845 28.642 54.376 1.00103.80 C ATOM 37 CB THR 206 -20.023 27.868 53.859 1.00103.80 C ATOM 38 OG1 THR 206 -20.698 27.226 54.932 1.00103.80 O ATOM 39 CG2 THR 206 -19.514 26.817 52.857 1.00103.80 C ATOM 40 C THR 206 -19.362 29.595 55.412 1.00103.80 C ATOM 41 O THR 206 -19.524 29.247 56.578 1.00103.80 O ATOM 42 N CYS 207 -19.609 30.856 54.989 1.00 41.33 N ATOM 43 CA CYS 207 -20.131 31.865 55.871 1.00 41.33 C ATOM 44 CB CYS 207 -19.748 33.297 55.452 1.00 41.33 C ATOM 45 SG CYS 207 -20.410 34.578 56.561 1.00 41.33 S ATOM 46 C CYS 207 -21.625 31.762 55.860 1.00 41.33 C ATOM 47 O CYS 207 -22.262 31.686 54.813 1.00 41.33 O ATOM 48 N THR 208 -22.225 31.755 57.063 1.00 43.16 N ATOM 49 CA THR 208 -23.643 31.613 57.181 1.00 43.16 C ATOM 50 CB THR 208 -24.078 31.543 58.614 1.00 43.16 C ATOM 51 OG1 THR 208 -23.474 30.431 59.259 1.00 43.16 O ATOM 52 CG2 THR 208 -25.609 31.432 58.667 1.00 43.16 C ATOM 53 C THR 208 -24.344 32.787 56.568 1.00 43.16 C ATOM 54 O THR 208 -25.331 32.619 55.851 1.00 43.16 O ATOM 55 N GLN 209 -23.886 34.020 56.857 1.00 62.74 N ATOM 56 CA GLN 209 -24.654 35.127 56.368 1.00 62.74 C ATOM 57 CB GLN 209 -24.175 36.469 56.953 1.00 62.74 C ATOM 58 CG GLN 209 -24.978 37.677 56.459 1.00 62.74 C ATOM 59 CD GLN 209 -24.311 38.940 56.978 1.00 62.74 C ATOM 60 OE1 GLN 209 -23.344 38.883 57.737 1.00 62.74 O ATOM 61 NE2 GLN 209 -24.844 40.117 56.556 1.00 62.74 N ATOM 62 C GLN 209 -24.597 35.258 54.871 1.00 62.74 C ATOM 63 O GLN 209 -25.623 35.181 54.197 1.00 62.74 O ATOM 64 N CYS 210 -23.382 35.471 54.319 1.00 63.83 N ATOM 65 CA CYS 210 -23.194 35.705 52.909 1.00 63.83 C ATOM 66 CB CYS 210 -21.896 36.471 52.589 1.00 63.83 C ATOM 67 SG CYS 210 -20.390 35.610 53.130 1.00 63.83 S ATOM 68 C CYS 210 -23.236 34.452 52.089 1.00 63.83 C ATOM 69 O CYS 210 -23.785 34.448 50.989 1.00 63.83 O ATOM 70 N GLY 211 -22.660 33.346 52.595 1.00 25.87 N ATOM 71 CA GLY 211 -22.609 32.153 51.800 1.00 25.87 C ATOM 72 C GLY 211 -21.285 32.121 51.094 1.00 25.87 C ATOM 73 O GLY 211 -21.057 31.270 50.237 1.00 25.87 O ATOM 74 N LYS 212 -20.372 33.054 51.437 1.00 55.55 N ATOM 75 CA LYS 212 -19.077 33.087 50.817 1.00 55.55 C ATOM 76 CB LYS 212 -18.340 34.412 51.073 1.00 55.55 C ATOM 77 CG LYS 212 -17.143 34.652 50.156 1.00 55.55 C ATOM 78 CD LYS 212 -16.689 36.115 50.145 1.00 55.55 C ATOM 79 CE LYS 212 -15.491 36.387 49.232 1.00 55.55 C ATOM 80 NZ LYS 212 -15.191 37.835 49.217 1.00 55.55 N ATOM 81 C LYS 212 -18.267 31.960 51.384 1.00 55.55 C ATOM 82 O LYS 212 -18.405 31.614 52.557 1.00 55.55 O ATOM 83 N SER 213 -17.391 31.351 50.557 1.00 48.53 N ATOM 84 CA SER 213 -16.642 30.221 51.034 1.00 48.53 C ATOM 85 CB SER 213 -16.785 28.985 50.134 1.00 48.53 C ATOM 86 OG SER 213 -18.138 28.556 50.095 1.00 48.53 O ATOM 87 C SER 213 -15.190 30.584 51.096 1.00 48.53 C ATOM 88 O SER 213 -14.705 31.397 50.314 1.00 48.53 O ATOM 89 N PHE 214 -14.462 29.970 52.059 1.00145.61 N ATOM 90 CA PHE 214 -13.081 30.304 52.276 1.00145.61 C ATOM 91 CB PHE 214 -12.849 31.034 53.609 1.00145.61 C ATOM 92 CG PHE 214 -13.507 32.365 53.524 1.00145.61 C ATOM 93 CD1 PHE 214 -14.819 32.533 53.899 1.00145.61 C ATOM 94 CD2 PHE 214 -12.802 33.449 53.059 1.00145.61 C ATOM 95 CE1 PHE 214 -15.416 33.767 53.816 1.00145.61 C ATOM 96 CE2 PHE 214 -13.393 34.686 52.973 1.00145.61 C ATOM 97 CZ PHE 214 -14.703 34.846 53.353 1.00145.61 C ATOM 98 C PHE 214 -12.252 29.063 52.353 1.00145.61 C ATOM 99 O PHE 214 -12.706 28.000 52.771 1.00145.61 O ATOM 100 N ASN 215 -10.986 29.195 51.917 1.00104.89 N ATOM 101 CA ASN 215 -10.009 28.149 51.972 1.00104.89 C ATOM 102 CB ASN 215 -8.715 28.513 51.224 1.00104.89 C ATOM 103 CG ASN 215 -9.020 28.517 49.734 1.00104.89 C ATOM 104 OD1 ASN 215 -8.500 27.694 48.981 1.00104.89 O ATOM 105 ND2 ASN 215 -9.897 29.461 49.298 1.00104.89 N ATOM 106 C ASN 215 -9.619 27.911 53.399 1.00104.89 C ATOM 107 O ASN 215 -9.386 26.771 53.801 1.00104.89 O ATOM 108 N TYR 216 -9.540 28.986 54.213 1.00102.30 N ATOM 109 CA TYR 216 -9.012 28.817 55.539 1.00102.30 C ATOM 110 CB TYR 216 -7.820 29.739 55.846 1.00102.30 C ATOM 111 CG TYR 216 -6.751 29.530 54.829 1.00102.30 C ATOM 112 CD1 TYR 216 -6.782 30.242 53.651 1.00102.30 C ATOM 113 CD2 TYR 216 -5.722 28.641 55.043 1.00102.30 C ATOM 114 CE1 TYR 216 -5.806 30.071 52.699 1.00102.30 C ATOM 115 CE2 TYR 216 -4.741 28.465 54.094 1.00102.30 C ATOM 116 CZ TYR 216 -4.782 29.182 52.920 1.00102.30 C ATOM 117 OH TYR 216 -3.778 29.006 51.944 1.00102.30 O ATOM 118 C TYR 216 -10.050 29.177 56.558 1.00102.30 C ATOM 119 O TYR 216 -10.851 30.091 56.366 1.00102.30 O ATOM 120 N LEU 217 -10.036 28.449 57.692 1.00118.71 N ATOM 121 CA LEU 217 -10.947 28.655 58.780 1.00118.71 C ATOM 122 CB LEU 217 -10.742 27.647 59.923 1.00118.71 C ATOM 123 CG LEU 217 -11.656 27.904 61.135 1.00118.71 C ATOM 124 CD1 LEU 217 -13.137 27.709 60.775 1.00118.71 C ATOM 125 CD2 LEU 217 -11.216 27.076 62.354 1.00118.71 C ATOM 126 C LEU 217 -10.724 30.010 59.368 1.00118.71 C ATOM 127 O LEU 217 -11.676 30.725 59.675 1.00118.71 O ATOM 128 N SER 218 -9.447 30.402 59.530 1.00 61.06 N ATOM 129 CA SER 218 -9.124 31.652 60.153 1.00 61.06 C ATOM 130 CB SER 218 -7.608 31.898 60.242 1.00 61.06 C ATOM 131 OG SER 218 -7.350 33.160 60.843 1.00 61.06 O ATOM 132 C SER 218 -9.696 32.768 59.346 1.00 61.06 C ATOM 133 O SER 218 -10.201 33.747 59.896 1.00 61.06 O ATOM 134 N HIS 219 -9.632 32.654 58.009 1.00 65.47 N ATOM 135 CA HIS 219 -10.096 33.745 57.209 1.00 65.47 C ATOM 136 ND1 HIS 219 -8.613 35.671 54.956 1.00 65.47 N ATOM 137 CG HIS 219 -9.751 34.898 54.994 1.00 65.47 C ATOM 138 CB HIS 219 -9.805 33.577 55.709 1.00 65.47 C ATOM 139 NE2 HIS 219 -10.166 36.778 53.816 1.00 65.47 N ATOM 140 CD2 HIS 219 -10.692 35.588 54.293 1.00 65.47 C ATOM 141 CE1 HIS 219 -8.916 36.783 54.240 1.00 65.47 C ATOM 142 C HIS 219 -11.575 33.874 57.399 1.00 65.47 C ATOM 143 O HIS 219 -12.100 34.984 57.488 1.00 65.47 O ATOM 144 N LEU 220 -12.293 32.737 57.474 1.00 61.04 N ATOM 145 CA LEU 220 -13.717 32.809 57.626 1.00 61.04 C ATOM 146 CB LEU 220 -14.425 31.446 57.591 1.00 61.04 C ATOM 147 CG LEU 220 -15.949 31.577 57.759 1.00 61.04 C ATOM 148 CD1 LEU 220 -16.552 32.483 56.675 1.00 61.04 C ATOM 149 CD2 LEU 220 -16.618 30.200 57.784 1.00 61.04 C ATOM 150 C LEU 220 -14.040 33.454 58.937 1.00 61.04 C ATOM 151 O LEU 220 -14.964 34.261 59.017 1.00 61.04 O ATOM 152 N ASN 221 -13.282 33.134 60.005 1.00 35.42 N ATOM 153 CA ASN 221 -13.580 33.716 61.285 1.00 35.42 C ATOM 154 CB ASN 221 -12.554 33.356 62.379 1.00 35.42 C ATOM 155 CG ASN 221 -12.729 31.910 62.821 1.00 35.42 C ATOM 156 OD1 ASN 221 -13.653 31.578 63.563 1.00 35.42 O ATOM 157 ND2 ASN 221 -11.808 31.022 62.360 1.00 35.42 N ATOM 158 C ASN 221 -13.494 35.200 61.133 1.00 35.42 C ATOM 159 O ASN 221 -14.356 35.942 61.604 1.00 35.42 O ATOM 160 N HIS 222 -12.444 35.662 60.436 1.00 38.36 N ATOM 161 CA HIS 222 -12.194 37.058 60.252 1.00 38.36 C ATOM 162 ND1 HIS 222 -10.540 39.618 58.523 1.00 38.36 N ATOM 163 CG HIS 222 -10.367 38.662 59.497 1.00 38.36 C ATOM 164 CB HIS 222 -10.910 37.272 59.435 1.00 38.36 C ATOM 165 NE2 HIS 222 -9.311 40.551 60.125 1.00 38.36 N ATOM 166 CD2 HIS 222 -9.617 39.247 60.469 1.00 38.36 C ATOM 167 CE1 HIS 222 -9.887 40.729 58.949 1.00 38.36 C ATOM 168 C HIS 222 -13.347 37.648 59.498 1.00 38.36 C ATOM 169 O HIS 222 -13.860 38.708 59.857 1.00 38.36 O ATOM 170 N HIS 223 -13.802 36.956 58.437 1.00 41.53 N ATOM 171 CA HIS 223 -14.879 37.448 57.628 1.00 41.53 C ATOM 172 ND1 HIS 223 -16.071 37.990 54.592 1.00 41.53 N ATOM 173 CG HIS 223 -16.272 37.002 55.527 1.00 41.53 C ATOM 174 CB HIS 223 -15.208 36.498 56.462 1.00 41.53 C ATOM 175 NE2 HIS 223 -18.184 37.330 54.373 1.00 41.53 N ATOM 176 CD2 HIS 223 -17.567 36.609 55.383 1.00 41.53 C ATOM 177 CE1 HIS 223 -17.248 38.146 53.929 1.00 41.53 C ATOM 178 C HIS 223 -16.096 37.548 58.483 1.00 41.53 C ATOM 179 O HIS 223 -16.781 38.570 58.491 1.00 41.53 O ATOM 180 N MET 224 -16.381 36.481 59.251 1.00 78.78 N ATOM 181 CA MET 224 -17.531 36.501 60.103 1.00 78.78 C ATOM 182 CB MET 224 -17.706 35.207 60.915 1.00 78.78 C ATOM 183 CG MET 224 -18.930 35.209 61.832 1.00 78.78 C ATOM 184 SD MET 224 -19.137 33.676 62.786 1.00 78.78 S ATOM 185 CE MET 224 -20.299 34.344 64.013 1.00 78.78 C ATOM 186 C MET 224 -17.357 37.646 61.089 1.00 78.78 C ATOM 187 O MET 224 -18.109 38.652 60.963 1.00 78.78 O ATOM 188 OXT MET 224 -16.475 37.532 61.979 1.00 78.78 O