EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:18:14 REMARK 6 MODELLER OBJECTIVE FUNCTION: 99.6135 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 44.000 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1509.36377 REMARK 6 GA341 score: 0.73632 REMARK 6 Normalized DOPE score: -0.66947 REMARK 6 TEMPLATE: 1a1iA03 160:A - 184:A MODELS 1: - 25: AT 44.0% ATOM 1 N GLU 175 9.097 5.726 32.556 1.00 51.69 N ATOM 2 CA GLU 175 9.500 6.842 31.669 1.00 51.69 C ATOM 3 CB GLU 175 8.995 6.604 30.238 1.00 51.69 C ATOM 4 CG GLU 175 9.650 5.410 29.545 1.00 51.69 C ATOM 5 CD GLU 175 9.043 5.308 28.155 1.00 51.69 C ATOM 6 OE1 GLU 175 8.174 6.163 27.832 1.00 51.69 O ATOM 7 OE2 GLU 175 9.433 4.379 27.399 1.00 51.69 O ATOM 8 C GLU 175 8.921 8.130 32.150 1.00 51.69 C ATOM 9 O GLU 175 8.300 8.188 33.208 1.00 51.69 O ATOM 10 N LYS 176 9.137 9.209 31.372 1.00198.60 N ATOM 11 CA LYS 176 8.620 10.490 31.743 1.00198.60 C ATOM 12 CB LYS 176 9.658 11.614 31.556 1.00198.60 C ATOM 13 CG LYS 176 10.227 11.740 30.136 1.00198.60 C ATOM 14 CD LYS 176 10.920 10.484 29.595 1.00198.60 C ATOM 15 CE LYS 176 11.931 9.858 30.561 1.00198.60 C ATOM 16 NZ LYS 176 13.120 10.729 30.698 1.00198.60 N ATOM 17 C LYS 176 7.430 10.752 30.874 1.00198.60 C ATOM 18 O LYS 176 7.535 11.330 29.794 1.00198.60 O ATOM 19 N SER 177 6.253 10.316 31.361 1.00 90.05 N ATOM 20 CA SER 177 5.005 10.384 30.656 1.00 90.05 C ATOM 21 CB SER 177 3.929 9.487 31.287 1.00 90.05 C ATOM 22 OG SER 177 2.718 9.591 30.553 1.00 90.05 O ATOM 23 C SER 177 4.438 11.771 30.593 1.00 90.05 C ATOM 24 O SER 177 3.669 12.067 29.678 1.00 90.05 O ATOM 25 N PHE 178 4.768 12.665 31.543 1.00 58.91 N ATOM 26 CA PHE 178 4.082 13.930 31.513 1.00 58.91 C ATOM 27 CB PHE 178 3.567 14.374 32.891 1.00 58.91 C ATOM 28 CG PHE 178 2.513 13.398 33.280 1.00 58.91 C ATOM 29 CD1 PHE 178 1.211 13.571 32.869 1.00 58.91 C ATOM 30 CD2 PHE 178 2.832 12.303 34.049 1.00 58.91 C ATOM 31 CE1 PHE 178 0.239 12.667 33.226 1.00 58.91 C ATOM 32 CE2 PHE 178 1.864 11.397 34.409 1.00 58.91 C ATOM 33 CZ PHE 178 0.566 11.577 33.996 1.00 58.91 C ATOM 34 C PHE 178 4.971 15.014 30.999 1.00 58.91 C ATOM 35 O PHE 178 6.007 15.316 31.589 1.00 58.91 O ATOM 36 N LYS 179 4.550 15.657 29.889 1.00 80.86 N ATOM 37 CA LYS 179 5.324 16.712 29.299 1.00 80.86 C ATOM 38 CB LYS 179 5.523 16.553 27.780 1.00 80.86 C ATOM 39 CG LYS 179 6.337 15.316 27.392 1.00 80.86 C ATOM 40 CD LYS 179 6.257 14.973 25.903 1.00 80.86 C ATOM 41 CE LYS 179 4.882 14.463 25.468 1.00 80.86 C ATOM 42 NZ LYS 179 3.929 15.591 25.360 1.00 80.86 N ATOM 43 C LYS 179 4.595 18.002 29.512 1.00 80.86 C ATOM 44 O LYS 179 3.370 18.064 29.417 1.00 80.86 O ATOM 45 N CYS 180 5.353 19.075 29.814 1.00 40.94 N ATOM 46 CA CYS 180 4.756 20.359 30.046 1.00 40.94 C ATOM 47 CB CYS 180 5.741 21.405 30.594 1.00 40.94 C ATOM 48 SG CYS 180 4.970 23.026 30.883 1.00 40.94 S ATOM 49 C CYS 180 4.239 20.855 28.740 1.00 40.94 C ATOM 50 O CYS 180 4.876 20.705 27.699 1.00 40.94 O ATOM 51 N THR 181 3.043 21.464 28.764 1.00 37.09 N ATOM 52 CA THR 181 2.459 21.909 27.540 1.00 37.09 C ATOM 53 CB THR 181 1.091 22.492 27.738 1.00 37.09 C ATOM 54 OG1 THR 181 0.233 21.529 28.333 1.00 37.09 O ATOM 55 CG2 THR 181 0.535 22.912 26.366 1.00 37.09 C ATOM 56 C THR 181 3.319 22.970 26.928 1.00 37.09 C ATOM 57 O THR 181 3.611 22.923 25.733 1.00 37.09 O ATOM 58 N GLN 182 3.729 23.975 27.726 1.00 71.42 N ATOM 59 CA GLN 182 4.475 25.052 27.141 1.00 71.42 C ATOM 60 CB GLN 182 4.608 26.256 28.090 1.00 71.42 C ATOM 61 CG GLN 182 3.274 26.926 28.426 1.00 71.42 C ATOM 62 CD GLN 182 3.557 28.092 29.361 1.00 71.42 C ATOM 63 OE1 GLN 182 4.362 27.976 30.290 1.00 71.42 O ATOM 64 NE2 GLN 182 2.891 29.250 29.117 1.00 71.42 N ATOM 65 C GLN 182 5.872 24.668 26.739 1.00 71.42 C ATOM 66 O GLN 182 6.232 24.775 25.566 1.00 71.42 O ATOM 67 N CYS 183 6.694 24.226 27.716 1.00 60.59 N ATOM 68 CA CYS 183 8.085 23.919 27.494 1.00 60.59 C ATOM 69 CB CYS 183 8.934 23.963 28.777 1.00 60.59 C ATOM 70 SG CYS 183 8.453 22.718 30.006 1.00 60.59 S ATOM 71 C CYS 183 8.304 22.593 26.830 1.00 60.59 C ATOM 72 O CYS 183 9.181 22.460 25.979 1.00 60.59 O ATOM 73 N GLY 184 7.518 21.564 27.201 1.00 25.22 N ATOM 74 CA GLY 184 7.736 20.260 26.640 1.00 25.22 C ATOM 75 C GLY 184 8.590 19.461 27.584 1.00 25.22 C ATOM 76 O GLY 184 8.930 18.312 27.308 1.00 25.22 O ATOM 77 N LYS 185 8.951 20.052 28.740 1.00128.94 N ATOM 78 CA LYS 185 9.759 19.378 29.718 1.00128.94 C ATOM 79 CB LYS 185 9.964 20.223 30.985 1.00128.94 C ATOM 80 CG LYS 185 10.971 19.647 31.979 1.00128.94 C ATOM 81 CD LYS 185 12.422 19.971 31.641 1.00128.94 C ATOM 82 CE LYS 185 12.821 21.374 32.102 1.00128.94 C ATOM 83 NZ LYS 185 14.291 21.535 32.051 1.00128.94 N ATOM 84 C LYS 185 9.010 18.152 30.146 1.00128.94 C ATOM 85 O LYS 185 7.794 18.193 30.330 1.00128.94 O ATOM 86 N SER 186 9.726 17.025 30.338 1.00 49.83 N ATOM 87 CA SER 186 9.063 15.796 30.678 1.00 49.83 C ATOM 88 CB SER 186 9.510 14.628 29.791 1.00 49.83 C ATOM 89 OG SER 186 10.907 14.424 29.944 1.00 49.83 O ATOM 90 C SER 186 9.389 15.422 32.091 1.00 49.83 C ATOM 91 O SER 186 10.499 15.649 32.568 1.00 49.83 O ATOM 92 N PHE 187 8.401 14.842 32.807 1.00138.38 N ATOM 93 CA PHE 187 8.612 14.439 34.169 1.00138.38 C ATOM 94 CB PHE 187 7.944 15.376 35.192 1.00138.38 C ATOM 95 CG PHE 187 8.538 16.735 35.015 1.00138.38 C ATOM 96 CD1 PHE 187 9.669 17.114 35.703 1.00138.38 C ATOM 97 CD2 PHE 187 7.961 17.632 34.144 1.00138.38 C ATOM 98 CE1 PHE 187 10.208 18.369 35.526 1.00138.38 C ATOM 99 CE2 PHE 187 8.493 18.887 33.964 1.00138.38 C ATOM 100 CZ PHE 187 9.620 19.257 34.657 1.00138.38 C ATOM 101 C PHE 187 8.005 13.082 34.340 1.00138.38 C ATOM 102 O PHE 187 7.056 12.721 33.647 1.00138.38 O ATOM 103 N ASN 188 8.574 12.276 35.256 1.00 87.77 N ATOM 104 CA ASN 188 8.085 10.952 35.515 1.00 87.77 C ATOM 105 CB ASN 188 9.053 10.101 36.347 1.00 87.77 C ATOM 106 CG ASN 188 9.157 10.729 37.725 1.00 87.77 C ATOM 107 OD1 ASN 188 9.093 11.948 37.873 1.00 87.77 O ATOM 108 ND2 ASN 188 9.317 9.872 38.768 1.00 87.77 N ATOM 109 C ASN 188 6.773 11.004 36.241 1.00 87.77 C ATOM 110 O ASN 188 5.919 10.138 36.041 1.00 87.77 O ATOM 111 N ARG 189 6.585 12.011 37.121 1.00108.30 N ATOM 112 CA ARG 189 5.388 12.041 37.910 1.00108.30 C ATOM 113 CB ARG 189 5.665 12.167 39.419 1.00108.30 C ATOM 114 CG ARG 189 6.418 10.956 39.977 1.00108.30 C ATOM 115 CD ARG 189 6.683 11.022 41.481 1.00108.30 C ATOM 116 NE ARG 189 5.404 10.714 42.181 1.00108.30 N ATOM 117 CZ ARG 189 5.390 9.873 43.258 1.00108.30 C ATOM 118 NH1 ARG 189 6.550 9.314 43.709 1.00108.30 N ATOM 119 NH2 ARG 189 4.209 9.590 43.883 1.00108.30 N ATOM 120 C ARG 189 4.534 13.196 37.490 1.00108.30 C ATOM 121 O ARG 189 5.029 14.259 37.120 1.00108.30 O ATOM 122 N SER 190 3.203 12.982 37.525 1.00 70.62 N ATOM 123 CA SER 190 2.242 13.966 37.125 1.00 70.62 C ATOM 124 CB SER 190 0.800 13.441 37.153 1.00 70.62 C ATOM 125 OG SER 190 -0.088 14.469 36.746 1.00 70.62 O ATOM 126 C SER 190 2.294 15.123 38.066 1.00 70.62 C ATOM 127 O SER 190 2.116 16.271 37.661 1.00 70.62 O ATOM 128 N SER 191 2.537 14.851 39.358 1.00 60.45 N ATOM 129 CA SER 191 2.543 15.906 40.326 1.00 60.45 C ATOM 130 CB SER 191 2.739 15.398 41.767 1.00 60.45 C ATOM 131 OG SER 191 2.733 16.491 42.674 1.00 60.45 O ATOM 132 C SER 191 3.659 16.845 40.015 1.00 60.45 C ATOM 133 O SER 191 3.516 18.056 40.177 1.00 60.45 O ATOM 134 N ASN 192 4.805 16.310 39.557 1.00 35.65 N ATOM 135 CA ASN 192 5.924 17.157 39.267 1.00 35.65 C ATOM 136 CB ASN 192 7.206 16.382 38.918 1.00 35.65 C ATOM 137 CG ASN 192 7.828 15.919 40.233 1.00 35.65 C ATOM 138 OD1 ASN 192 8.205 16.735 41.073 1.00 35.65 O ATOM 139 ND2 ASN 192 7.926 14.577 40.425 1.00 35.65 N ATOM 140 C ASN 192 5.580 18.061 38.130 1.00 35.65 C ATOM 141 O ASN 192 5.887 19.251 38.164 1.00 35.65 O ATOM 142 N LEU 193 4.917 17.526 37.090 1.00 73.62 N ATOM 143 CA LEU 193 4.578 18.334 35.957 1.00 73.62 C ATOM 144 CB LEU 193 3.886 17.537 34.839 1.00 73.62 C ATOM 145 CG LEU 193 3.510 18.399 33.618 1.00 73.62 C ATOM 146 CD1 LEU 193 4.759 18.987 32.941 1.00 73.62 C ATOM 147 CD2 LEU 193 2.610 17.625 32.642 1.00 73.62 C ATOM 148 C LEU 193 3.631 19.407 36.395 1.00 73.62 C ATOM 149 O LEU 193 3.751 20.558 35.979 1.00 73.62 O ATOM 150 N HIS 194 2.671 19.058 37.273 1.00 29.27 N ATOM 151 CA HIS 194 1.664 19.993 37.682 1.00 29.27 C ATOM 152 ND1 HIS 194 -1.604 20.506 38.346 1.00 29.27 N ATOM 153 CG HIS 194 -0.437 20.345 39.058 1.00 29.27 C ATOM 154 CB HIS 194 0.658 19.392 38.679 1.00 29.27 C ATOM 155 NE2 HIS 194 -1.715 21.906 40.069 1.00 29.27 N ATOM 156 CD2 HIS 194 -0.521 21.208 40.107 1.00 29.27 C ATOM 157 CE1 HIS 194 -2.332 21.450 38.994 1.00 29.27 C ATOM 158 C HIS 194 2.310 21.165 38.347 1.00 29.27 C ATOM 159 O HIS 194 1.957 22.311 38.070 1.00 29.27 O ATOM 160 N GLN 195 3.283 20.915 39.242 1.00 70.67 N ATOM 161 CA GLN 195 3.905 22.007 39.935 1.00 70.67 C ATOM 162 CB GLN 195 4.921 21.554 41.000 1.00 70.67 C ATOM 163 CG GLN 195 4.296 20.771 42.154 1.00 70.67 C ATOM 164 CD GLN 195 5.416 20.398 43.114 1.00 70.67 C ATOM 165 OE1 GLN 195 6.516 20.947 43.045 1.00 70.67 O ATOM 166 NE2 GLN 195 5.134 19.446 44.042 1.00 70.67 N ATOM 167 C GLN 195 4.649 22.847 38.944 1.00 70.67 C ATOM 168 O GLN 195 4.643 24.073 39.025 1.00 70.67 O ATOM 169 N HIS 196 5.298 22.182 37.971 1.00 71.97 N ATOM 170 CA HIS 196 6.143 22.796 36.986 1.00 71.97 C ATOM 171 ND1 HIS 196 9.009 22.577 35.142 1.00 71.97 N ATOM 172 CG HIS 196 7.663 22.321 35.001 1.00 71.97 C ATOM 173 CB HIS 196 6.788 21.740 36.069 1.00 71.97 C ATOM 174 NE2 HIS 196 8.459 23.183 33.074 1.00 71.97 N ATOM 175 CD2 HIS 196 7.344 22.698 33.732 1.00 71.97 C ATOM 176 CE1 HIS 196 9.435 23.090 33.961 1.00 71.97 C ATOM 177 C HIS 196 5.387 23.746 36.107 1.00 71.97 C ATOM 178 O HIS 196 5.845 24.857 35.851 1.00 71.97 O ATOM 179 N MET 197 4.185 23.363 35.648 1.00 78.74 N ATOM 180 CA MET 197 3.493 24.158 34.675 1.00 78.74 C ATOM 181 CB MET 197 2.140 23.549 34.266 1.00 78.74 C ATOM 182 CG MET 197 1.432 24.329 33.157 1.00 78.74 C ATOM 183 SD MET 197 -0.157 23.621 32.630 1.00 78.74 S ATOM 184 CE MET 197 0.584 22.250 31.698 1.00 78.74 C ATOM 185 C MET 197 3.230 25.534 35.202 1.00 78.74 C ATOM 186 O MET 197 3.369 26.514 34.471 1.00 78.74 O ATOM 187 N ARG 198 2.864 25.660 36.488 1.00159.12 N ATOM 188 CA ARG 198 2.504 26.953 36.991 1.00159.12 C ATOM 189 CB ARG 198 2.089 26.929 38.472 1.00159.12 C ATOM 190 CG ARG 198 1.617 28.291 38.980 1.00159.12 C ATOM 191 CD ARG 198 0.992 28.252 40.376 1.00159.12 C ATOM 192 NE ARG 198 2.100 28.164 41.368 1.00159.12 N ATOM 193 CZ ARG 198 1.850 28.421 42.685 1.00159.12 C ATOM 194 NH1 ARG 198 0.588 28.754 43.086 1.00159.12 N ATOM 195 NH2 ARG 198 2.860 28.346 43.599 1.00159.12 N ATOM 196 C ARG 198 3.659 27.893 36.849 1.00159.12 C ATOM 197 O ARG 198 3.478 29.034 36.424 1.00159.12 O ATOM 198 N ILE 199 4.885 27.449 37.185 1.00159.55 N ATOM 199 CA ILE 199 5.994 28.351 37.078 1.00159.55 C ATOM 200 CB ILE 199 7.310 27.754 37.521 1.00159.55 C ATOM 201 CG1 ILE 199 8.369 28.847 37.748 1.00159.55 C ATOM 202 CG2 ILE 199 7.758 26.704 36.495 1.00159.55 C ATOM 203 CD1 ILE 199 8.787 29.596 36.483 1.00159.55 C ATOM 204 C ILE 199 6.092 28.785 35.620 1.00159.55 C ATOM 205 O ILE 199 6.205 30.019 35.388 1.00159.55 O ATOM 206 OXT ILE 199 6.047 27.902 34.722 1.00159.55 O