EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:15:00 REMARK 6 MODELLER OBJECTIVE FUNCTION: 113.6314 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 34.783 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1446.08337 REMARK 6 GA341 score: 0.91397 REMARK 6 Normalized DOPE score: -0.11462 REMARK 6 TEMPLATE: 1a1iA03 160:A - 182:A MODELS 1: - 23: AT 34.8% ATOM 1 N GLU 186 15.699 28.516 52.912 1.00 90.65 N ATOM 2 CA GLU 186 15.110 29.745 52.338 1.00 90.65 C ATOM 3 CB GLU 186 16.144 30.457 51.452 1.00 90.65 C ATOM 4 CG GLU 186 17.320 31.051 52.233 1.00 90.65 C ATOM 5 CD GLU 186 16.862 32.335 52.917 1.00 90.65 C ATOM 6 OE1 GLU 186 15.660 32.684 52.781 1.00 90.65 O ATOM 7 OE2 GLU 186 17.713 32.984 53.587 1.00 90.65 O ATOM 8 C GLU 186 13.925 29.399 51.504 1.00 90.65 C ATOM 9 O GLU 186 13.173 28.480 51.827 1.00 90.65 O ATOM 10 N ARG 187 13.719 30.140 50.401 1.00161.50 N ATOM 11 CA ARG 187 12.587 29.847 49.588 1.00161.50 C ATOM 12 CB ARG 187 12.484 30.763 48.356 1.00161.50 C ATOM 13 CG ARG 187 12.105 32.213 48.684 1.00161.50 C ATOM 14 CD ARG 187 13.221 33.041 49.330 1.00161.50 C ATOM 15 NE ARG 187 12.679 34.410 49.592 1.00161.50 N ATOM 16 CZ ARG 187 12.768 35.394 48.648 1.00161.50 C ATOM 17 NH1 ARG 187 13.382 35.150 47.453 1.00161.50 N ATOM 18 NH2 ARG 187 12.273 36.640 48.909 1.00161.50 N ATOM 19 C ARG 187 12.744 28.448 49.114 1.00161.50 C ATOM 20 O ARG 187 11.840 27.651 49.321 1.00161.50 O ATOM 21 N SER 188 13.908 28.111 48.518 1.00228.45 N ATOM 22 CA SER 188 14.199 26.800 48.006 1.00228.45 C ATOM 23 CB SER 188 13.483 25.604 48.663 1.00228.45 C ATOM 24 OG SER 188 13.912 25.462 50.008 1.00228.45 O ATOM 25 C SER 188 13.929 26.788 46.540 1.00228.45 C ATOM 26 O SER 188 14.760 27.234 45.752 1.00228.45 O ATOM 27 N PHE 189 12.762 26.243 46.131 1.00104.82 N ATOM 28 CA PHE 189 12.513 26.086 44.730 1.00104.82 C ATOM 29 CB PHE 189 11.665 24.848 44.392 1.00104.82 C ATOM 30 CG PHE 189 12.514 23.689 44.791 1.00104.82 C ATOM 31 CD1 PHE 189 13.615 23.336 44.044 1.00104.82 C ATOM 32 CD2 PHE 189 12.212 22.955 45.911 1.00104.82 C ATOM 33 CE1 PHE 189 14.405 22.271 44.409 1.00104.82 C ATOM 34 CE2 PHE 189 12.998 21.889 46.278 1.00104.82 C ATOM 35 CZ PHE 189 14.096 21.540 45.530 1.00104.82 C ATOM 36 C PHE 189 11.934 27.329 44.131 1.00104.82 C ATOM 37 O PHE 189 11.007 27.946 44.656 1.00104.82 O ATOM 38 N ILE 190 12.491 27.699 42.960 1.00 48.50 N ATOM 39 CA ILE 190 12.176 28.915 42.279 1.00 48.50 C ATOM 40 CB ILE 190 13.420 29.714 42.030 1.00 48.50 C ATOM 41 CG1 ILE 190 14.113 30.048 43.366 1.00 48.50 C ATOM 42 CG2 ILE 190 13.045 30.937 41.180 1.00 48.50 C ATOM 43 CD1 ILE 190 15.575 30.475 43.215 1.00 48.50 C ATOM 44 C ILE 190 11.586 28.571 40.943 1.00 48.50 C ATOM 45 O ILE 190 12.021 27.635 40.274 1.00 48.50 O ATOM 46 N CYS 191 10.551 29.335 40.536 1.00 47.53 N ATOM 47 CA CYS 191 9.914 29.143 39.265 1.00 47.53 C ATOM 48 CB CYS 191 8.719 30.093 39.049 1.00 47.53 C ATOM 49 SG CYS 191 7.903 29.901 37.434 1.00 47.53 S ATOM 50 C CYS 191 10.932 29.452 38.220 1.00 47.53 C ATOM 51 O CYS 191 11.644 30.451 38.298 1.00 47.53 O ATOM 52 N THR 192 11.047 28.578 37.207 1.00109.50 N ATOM 53 CA THR 192 12.036 28.818 36.204 1.00109.50 C ATOM 54 CB THR 192 12.132 27.703 35.207 1.00109.50 C ATOM 55 OG1 THR 192 10.881 27.526 34.562 1.00109.50 O ATOM 56 CG2 THR 192 12.561 26.411 35.927 1.00109.50 C ATOM 57 C THR 192 11.709 30.077 35.463 1.00109.50 C ATOM 58 O THR 192 12.574 30.933 35.286 1.00109.50 O ATOM 59 N GLN 193 10.455 30.226 34.989 1.00 72.00 N ATOM 60 CA GLN 193 10.167 31.402 34.211 1.00 72.00 C ATOM 61 CB GLN 193 8.833 31.317 33.448 1.00 72.00 C ATOM 62 CG GLN 193 8.840 30.294 32.310 1.00 72.00 C ATOM 63 CD GLN 193 7.507 30.406 31.581 1.00 72.00 C ATOM 64 OE1 GLN 193 6.617 31.145 31.995 1.00 72.00 O ATOM 65 NE2 GLN 193 7.369 29.672 30.445 1.00 72.00 N ATOM 66 C GLN 193 10.127 32.659 35.033 1.00 72.00 C ATOM 67 O GLN 193 10.838 33.620 34.739 1.00 72.00 O ATOM 68 N CYS 194 9.275 32.673 36.080 1.00 90.55 N ATOM 69 CA CYS 194 9.066 33.823 36.921 1.00 90.55 C ATOM 70 CB CYS 194 7.803 33.677 37.790 1.00 90.55 C ATOM 71 SG CYS 194 7.559 35.047 38.957 1.00 90.55 S ATOM 72 C CYS 194 10.227 34.073 37.837 1.00 90.55 C ATOM 73 O CYS 194 10.667 35.210 37.996 1.00 90.55 O ATOM 74 N GLY 195 10.763 33.010 38.465 1.00 28.05 N ATOM 75 CA GLY 195 11.825 33.198 39.410 1.00 28.05 C ATOM 76 C GLY 195 11.222 33.315 40.781 1.00 28.05 C ATOM 77 O GLY 195 11.945 33.410 41.771 1.00 28.05 O ATOM 78 N LYS 196 9.877 33.292 40.883 1.00117.52 N ATOM 79 CA LYS 196 9.240 33.429 42.162 1.00117.52 C ATOM 80 CB LYS 196 7.702 33.469 42.050 1.00117.52 C ATOM 81 CG LYS 196 6.979 34.280 43.136 1.00117.52 C ATOM 82 CD LYS 196 7.148 33.806 44.577 1.00117.52 C ATOM 83 CE LYS 196 6.476 34.734 45.596 1.00117.52 C ATOM 84 NZ LYS 196 6.872 34.348 46.967 1.00117.52 N ATOM 85 C LYS 196 9.634 32.212 42.938 1.00117.52 C ATOM 86 O LYS 196 9.722 31.120 42.377 1.00117.52 O ATOM 87 N GLY 197 9.897 32.369 44.255 1.00 38.44 N ATOM 88 CA GLY 197 10.365 31.244 45.014 1.00 38.44 C ATOM 89 C GLY 197 9.333 30.840 46.015 1.00 38.44 C ATOM 90 O GLY 197 8.615 31.673 46.564 1.00 38.44 O ATOM 91 N PHE 198 9.261 29.519 46.285 1.00 65.78 N ATOM 92 CA PHE 198 8.324 28.988 47.230 1.00 65.78 C ATOM 93 CB PHE 198 7.148 28.229 46.584 1.00 65.78 C ATOM 94 CG PHE 198 6.416 29.141 45.652 1.00 65.78 C ATOM 95 CD1 PHE 198 6.820 29.248 44.340 1.00 65.78 C ATOM 96 CD2 PHE 198 5.334 29.884 46.068 1.00 65.78 C ATOM 97 CE1 PHE 198 6.167 30.072 43.453 1.00 65.78 C ATOM 98 CE2 PHE 198 4.676 30.712 45.185 1.00 65.78 C ATOM 99 CZ PHE 198 5.088 30.807 43.876 1.00 65.78 C ATOM 100 C PHE 198 9.067 27.996 48.070 1.00 65.78 C ATOM 101 O PHE 198 10.020 27.370 47.610 1.00 65.78 O ATOM 102 N SER 199 8.648 27.846 49.343 1.00 81.91 N ATOM 103 CA SER 199 9.321 26.951 50.240 1.00 81.91 C ATOM 104 CB SER 199 8.871 27.115 51.701 1.00 81.91 C ATOM 105 OG SER 199 9.590 26.215 52.530 1.00 81.91 O ATOM 106 C SER 199 9.060 25.528 49.837 1.00 81.91 C ATOM 107 O SER 199 9.950 24.683 49.947 1.00 81.91 O ATOM 108 N GLN 200 7.832 25.234 49.346 1.00 48.30 N ATOM 109 CA GLN 200 7.448 23.885 49.020 1.00 48.30 C ATOM 110 CB GLN 200 6.042 23.509 49.529 1.00 48.30 C ATOM 111 CG GLN 200 5.908 23.470 51.053 1.00 48.30 C ATOM 112 CD GLN 200 4.458 23.128 51.368 1.00 48.30 C ATOM 113 OE1 GLN 200 3.694 23.978 51.822 1.00 48.30 O ATOM 114 NE2 GLN 200 4.062 21.852 51.116 1.00 48.30 N ATOM 115 C GLN 200 7.423 23.703 47.532 1.00 48.30 C ATOM 116 O GLN 200 7.164 24.634 46.773 1.00 48.30 O ATOM 117 N LYS 201 7.729 22.467 47.087 1.00 99.86 N ATOM 118 CA LYS 201 7.743 22.123 45.695 1.00 99.86 C ATOM 119 CB LYS 201 8.299 20.715 45.420 1.00 99.86 C ATOM 120 CG LYS 201 9.762 20.559 45.832 1.00 99.86 C ATOM 121 CD LYS 201 10.284 19.122 45.732 1.00 99.86 C ATOM 122 CE LYS 201 9.368 18.071 46.367 1.00 99.86 C ATOM 123 NZ LYS 201 9.282 18.287 47.828 1.00 99.86 N ATOM 124 C LYS 201 6.342 22.172 45.162 1.00 99.86 C ATOM 125 O LYS 201 6.125 22.561 44.016 1.00 99.86 O ATOM 126 N GLN 202 5.350 21.762 45.980 1.00 47.95 N ATOM 127 CA GLN 202 3.984 21.741 45.531 1.00 47.95 C ATOM 128 CB GLN 202 2.949 21.285 46.581 1.00 47.95 C ATOM 129 CG GLN 202 2.902 19.800 46.944 1.00 47.95 C ATOM 130 CD GLN 202 1.597 19.610 47.718 1.00 47.95 C ATOM 131 OE1 GLN 202 0.598 20.268 47.432 1.00 47.95 O ATOM 132 NE2 GLN 202 1.595 18.696 48.725 1.00 47.95 N ATOM 133 C GLN 202 3.561 23.135 45.219 1.00 47.95 C ATOM 134 O GLN 202 2.851 23.379 44.248 1.00 47.95 O ATOM 135 N ASN 203 3.971 24.100 46.053 1.00 53.40 N ATOM 136 CA ASN 203 3.508 25.429 45.820 1.00 53.40 C ATOM 137 CB ASN 203 3.990 26.395 46.916 1.00 53.40 C ATOM 138 CG ASN 203 3.416 25.891 48.243 1.00 53.40 C ATOM 139 OD1 ASN 203 4.114 25.829 49.255 1.00 53.40 O ATOM 140 ND2 ASN 203 2.107 25.519 48.240 1.00 53.40 N ATOM 141 C ASN 203 4.016 25.867 44.480 1.00 53.40 C ATOM 142 O ASN 203 3.266 26.414 43.673 1.00 53.40 O ATOM 143 N LEU 204 5.304 25.598 44.196 1.00 62.04 N ATOM 144 CA LEU 204 5.904 26.005 42.960 1.00 62.04 C ATOM 145 CB LEU 204 7.436 25.799 42.965 1.00 62.04 C ATOM 146 CG LEU 204 8.161 26.020 41.622 1.00 62.04 C ATOM 147 CD1 LEU 204 9.668 26.201 41.851 1.00 62.04 C ATOM 148 CD2 LEU 204 7.931 24.843 40.658 1.00 62.04 C ATOM 149 C LEU 204 5.268 25.312 41.793 1.00 62.04 C ATOM 150 O LEU 204 5.029 25.940 40.763 1.00 62.04 O ATOM 151 N LYS 205 4.955 24.009 41.906 1.00 90.30 N ATOM 152 CA LYS 205 4.438 23.314 40.758 1.00 90.30 C ATOM 153 CB LYS 205 4.185 21.818 41.019 1.00 90.30 C ATOM 154 CG LYS 205 3.412 21.549 42.307 1.00 90.30 C ATOM 155 CD LYS 205 2.828 20.143 42.425 1.00 90.30 C ATOM 156 CE LYS 205 1.334 20.085 42.113 1.00 90.30 C ATOM 157 NZ LYS 205 0.838 18.703 42.290 1.00 90.30 N ATOM 158 C LYS 205 3.154 23.937 40.306 1.00 90.30 C ATOM 159 O LYS 205 2.949 24.153 39.112 1.00 90.30 O ATOM 160 N ILE 206 2.249 24.265 41.243 1.00 32.16 N ATOM 161 CA ILE 206 1.001 24.818 40.811 1.00 32.16 C ATOM 162 CB ILE 206 0.005 25.045 41.911 1.00 32.16 C ATOM 163 CG1 ILE 206 -0.434 23.699 42.517 1.00 32.16 C ATOM 164 CG2 ILE 206 -1.159 25.872 41.333 1.00 32.16 C ATOM 165 CD1 ILE 206 -1.307 23.848 43.762 1.00 32.16 C ATOM 166 C ILE 206 1.279 26.122 40.142 1.00 32.16 C ATOM 167 O ILE 206 0.681 26.443 39.116 1.00 32.16 O ATOM 168 N HIS 207 2.215 26.907 40.706 1.00 41.82 N ATOM 169 CA HIS 207 2.536 28.175 40.121 1.00 41.82 C ATOM 170 ND1 HIS 207 3.386 31.412 40.510 1.00 41.82 N ATOM 171 CG HIS 207 4.038 30.229 40.246 1.00 41.82 C ATOM 172 CB HIS 207 3.681 28.899 40.852 1.00 41.82 C ATOM 173 NE2 HIS 207 5.007 31.890 39.063 1.00 41.82 N ATOM 174 CD2 HIS 207 5.025 30.539 39.360 1.00 41.82 C ATOM 175 CE1 HIS 207 4.007 32.374 39.776 1.00 41.82 C ATOM 176 C HIS 207 3.005 27.932 38.723 1.00 41.82 C ATOM 177 O HIS 207 2.545 28.593 37.793 1.00 41.82 O ATOM 178 N MET 208 3.911 26.951 38.542 1.00 59.30 N ATOM 179 CA MET 208 4.463 26.659 37.249 1.00 59.30 C ATOM 180 CB MET 208 5.319 25.380 37.234 1.00 59.30 C ATOM 181 CG MET 208 6.544 25.477 38.142 1.00 59.30 C ATOM 182 SD MET 208 7.869 26.560 37.535 1.00 59.30 S ATOM 183 CE MET 208 8.705 25.265 36.573 1.00 59.30 C ATOM 184 C MET 208 3.315 26.450 36.274 1.00 59.30 C ATOM 185 O MET 208 3.518 26.732 35.062 1.00 59.30 O ATOM 186 OXT MET 208 2.224 26.012 36.725 1.00 59.30 O