REMARK YASARA ************************************************************* REMARK YASARA * * REMARK YASARA * Y A S A R A * REMARK YASARA * * REMARK YASARA * Yet Another Scientific Artificial Reality Application * REMARK YASARA * * REMARK YASARA * MOLECULE STRUCTURE FILE, PDB FORMAT * REMARK YASARA * * REMARK YASARA * Just use YASARA every day to make your questions go away! * REMARK YASARA * * REMARK YASARA * www.YASARA.org * REMARK YASARA * * REMARK YASARA ************************************************************* REMARK YASARA REMARK YASARA Original filename: C:\Users\federica\Favorites\Dropbox\lab13\Lucia\pdb_yadamp\risultati_grimd_abalone\pdb_final\GLFAVIKKVASVIGGL.pdb REMARK YASARA Written on: Wed May 14 19:23:13 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 243 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA SEQRES 1 16 GLY LEU PHE ALA VAL ILE LYS LYS VAL ALA SER VAL ILE SEQRES 2 16 GLY GLY LEU ATOM 1 N GLY 1 -13.533 -19.757 31.686 1.00 -0.42 N ATOM 2 1H GLY 1 -13.669 -18.755 31.690 1.00 -0.42 H ATOM 3 2H GLY 1 -13.404 -20.084 32.633 1.00 -0.42 H ATOM 4 3H GLY 1 -12.713 -19.976 31.137 1.00 0.27 H ATOM 5 CA GLY 1 -14.721 -20.413 31.085 1.00 -0.03 C ATOM 6 1HA GLY 1 -14.575 -21.492 31.094 1.00 0.07 H ATOM 7 2HA GLY 1 -15.606 -20.162 31.668 1.00 0.07 H ATOM 8 C GLY 1 -14.911 -19.955 29.665 1.00 0.60 C ATOM 9 O GLY 1 -14.083 -19.173 29.223 1.00 -0.57 O ATOM 10 N LEU 2 -15.949 -20.391 28.956 1.00 -0.42 N ATOM 11 H LEU 2 -16.632 -21.010 29.370 1.00 0.27 H ATOM 12 CA LEU 2 -16.118 -20.055 27.533 1.00 -0.05 C ATOM 13 HA LEU 2 -15.223 -20.392 27.009 1.00 0.09 H ATOM 14 C LEU 2 -16.248 -18.563 27.228 1.00 0.60 C ATOM 15 O LEU 2 -15.931 -18.119 26.138 1.00 -0.57 O ATOM 16 CB LEU 2 -17.303 -20.843 26.949 1.00 -0.11 C ATOM 17 1HB LEU 2 -17.277 -20.724 25.865 1.00 0.05 H ATOM 18 2HB LEU 2 -17.091 -21.893 27.147 1.00 0.05 H ATOM 19 CG LEU 2 -18.755 -20.589 27.402 1.00 0.35 C ATOM 20 HG LEU 2 -18.754 -20.422 28.479 1.00 -0.04 H ATOM 21 CD1 LEU 2 -19.430 -19.397 26.721 1.00 -0.41 C ATOM 22 1HD1 LEU 2 -18.915 -18.470 26.956 1.00 0.10 H ATOM 23 2HD1 LEU 2 -19.430 -19.531 25.637 1.00 0.10 H ATOM 24 3HD1 LEU 2 -20.463 -19.307 27.062 1.00 0.10 H ATOM 25 CD2 LEU 2 -19.585 -21.840 27.124 1.00 -0.41 C ATOM 26 1HD2 LEU 2 -19.602 -22.056 26.053 1.00 0.10 H ATOM 27 2HD2 LEU 2 -19.172 -22.700 27.653 1.00 0.10 H ATOM 28 3HD2 LEU 2 -20.611 -21.691 27.466 1.00 0.10 H ATOM 29 N PHE 3 -16.613 -17.771 28.225 1.00 -0.42 N ATOM 30 H PHE 3 -16.850 -18.175 29.111 1.00 0.27 H ATOM 31 CA PHE 3 -16.677 -16.315 28.097 1.00 -0.00 C ATOM 32 HA PHE 3 -17.345 -16.059 27.274 1.00 0.10 H ATOM 33 C PHE 3 -15.329 -15.653 27.793 1.00 0.60 C ATOM 34 O PHE 3 -15.283 -14.492 27.408 1.00 -0.57 O ATOM 35 CB PHE 3 -17.258 -15.739 29.392 1.00 -0.03 C ATOM 36 1HB PHE 3 -17.214 -14.650 29.347 1.00 0.03 H ATOM 37 2HB PHE 3 -18.306 -16.031 29.458 1.00 0.03 H ATOM 38 CG PHE 3 -16.559 -16.219 30.642 1.00 0.01 C ATOM 39 CD1 PHE 3 -17.145 -17.223 31.438 1.00 -0.13 C ATOM 40 HD1 PHE 3 -18.102 -17.642 31.157 1.00 0.13 H ATOM 41 CD2 PHE 3 -15.328 -15.665 31.041 1.00 -0.13 C ATOM 42 HD2 PHE 3 -14.876 -14.878 30.452 1.00 0.13 H ATOM 43 CE1 PHE 3 -16.515 -17.670 32.628 1.00 -0.17 C ATOM 44 HE1 PHE 3 -16.994 -18.415 33.249 1.00 0.14 H ATOM 45 CE2 PHE 3 -14.677 -16.113 32.218 1.00 -0.17 C ATOM 46 HE2 PHE 3 -13.736 -15.671 32.517 1.00 0.14 H ATOM 47 CZ PHE 3 -15.276 -17.112 33.018 1.00 -0.11 C ATOM 48 HZ PHE 3 -14.800 -17.430 33.936 1.00 0.13 H ATOM 49 N ALA 4 -14.228 -16.387 27.901 1.00 -0.42 N ATOM 50 H ALA 4 -14.302 -17.351 28.197 1.00 0.27 H ATOM 51 CA ALA 4 -12.907 -15.857 27.572 1.00 0.03 C ATOM 52 HA ALA 4 -12.736 -14.963 28.174 1.00 0.08 H ATOM 53 C ALA 4 -12.777 -15.448 26.097 1.00 0.60 C ATOM 54 O ALA 4 -11.875 -14.681 25.739 1.00 -0.57 O ATOM 55 CB ALA 4 -11.842 -16.898 27.933 1.00 -0.18 C ATOM 56 1HB ALA 4 -11.998 -17.808 27.350 1.00 0.06 H ATOM 57 2HB ALA 4 -10.852 -16.497 27.711 1.00 0.06 H ATOM 58 3HB ALA 4 -11.901 -17.135 28.996 1.00 0.06 H ATOM 59 N VAL 5 -13.678 -15.917 25.242 1.00 -0.42 N ATOM 60 H VAL 5 -14.420 -16.531 25.562 1.00 0.27 H ATOM 61 CA VAL 5 -13.635 -15.552 23.828 1.00 -0.09 C ATOM 62 HA VAL 5 -12.636 -15.783 23.466 1.00 0.10 H ATOM 63 C VAL 5 -13.851 -14.064 23.579 1.00 0.60 C ATOM 64 O VAL 5 -13.406 -13.568 22.551 1.00 -0.57 O ATOM 65 CB VAL 5 -14.640 -16.359 22.957 1.00 0.30 C ATOM 66 HB VAL 5 -14.511 -16.049 21.921 1.00 -0.03 H ATOM 67 CG1 VAL 5 -14.328 -17.859 23.035 1.00 -0.32 C ATOM 68 1HG1 VAL 5 -13.296 -18.041 22.737 1.00 0.08 H ATOM 69 2HG1 VAL 5 -14.488 -18.240 24.042 1.00 0.08 H ATOM 70 3HG1 VAL 5 -14.984 -18.401 22.351 1.00 0.08 H ATOM 71 CG2 VAL 5 -16.103 -16.088 23.355 1.00 -0.32 C ATOM 72 1HG2 VAL 5 -16.351 -15.040 23.186 1.00 0.08 H ATOM 73 2HG2 VAL 5 -16.767 -16.695 22.737 1.00 0.08 H ATOM 74 3HG2 VAL 5 -16.279 -16.336 24.400 1.00 0.08 H ATOM 75 N ILE 6 -14.431 -13.313 24.511 1.00 -0.42 N ATOM 76 H ILE 6 -14.784 -13.727 25.367 1.00 0.27 H ATOM 77 CA ILE 6 -14.594 -11.873 24.290 1.00 -0.06 C ATOM 78 HA ILE 6 -15.044 -11.748 23.307 1.00 0.09 H ATOM 79 C ILE 6 -13.231 -11.175 24.257 1.00 0.60 C ATOM 80 O ILE 6 -13.042 -10.166 23.587 1.00 -0.57 O ATOM 81 CB ILE 6 -15.562 -11.208 25.319 1.00 0.13 C ATOM 82 HB ILE 6 -15.763 -10.194 24.974 1.00 0.02 H ATOM 83 CG1 ILE 6 -14.933 -11.102 26.727 1.00 -0.04 C ATOM 84 1HG1 ILE 6 -14.703 -12.099 27.090 1.00 0.02 H ATOM 85 2HG1 ILE 6 -13.998 -10.550 26.649 1.00 0.02 H ATOM 86 CG2 ILE 6 -16.909 -11.981 25.330 1.00 -0.32 C ATOM 87 1HG2 ILE 6 -17.259 -12.137 24.308 1.00 0.09 H ATOM 88 2HG2 ILE 6 -16.800 -12.945 25.827 1.00 0.09 H ATOM 89 3HG2 ILE 6 -17.664 -11.399 25.858 1.00 0.09 H ATOM 90 CD1 ILE 6 -15.788 -10.392 27.783 1.00 -0.07 C ATOM 91 1HD1 ILE 6 -15.207 -10.272 28.697 1.00 0.02 H ATOM 92 2HD1 ILE 6 -16.088 -9.407 27.421 1.00 0.02 H ATOM 93 3HD1 ILE 6 -16.677 -10.983 28.010 1.00 0.02 H ATOM 94 N LYS 7 -12.245 -11.751 24.934 1.00 -0.35 N ATOM 95 H LYS 7 -12.434 -12.600 25.456 1.00 0.28 H ATOM 96 CA LYS 7 -10.895 -11.189 24.932 1.00 -0.24 C ATOM 97 HA LYS 7 -10.962 -10.100 24.901 1.00 0.14 H ATOM 98 C LYS 7 -10.169 -11.653 23.678 1.00 0.73 C ATOM 99 O LYS 7 -9.339 -10.946 23.121 1.00 -0.59 O ATOM 100 CB LYS 7 -10.160 -11.602 26.212 1.00 -0.01 C ATOM 101 1HB LYS 7 -10.821 -11.383 27.049 1.00 0.04 H ATOM 102 2HB LYS 7 -9.975 -12.676 26.192 1.00 0.04 H ATOM 103 CG LYS 7 -8.833 -10.866 26.423 1.00 0.02 C ATOM 104 1HG LYS 7 -8.153 -11.145 25.618 1.00 0.01 H ATOM 105 2HG LYS 7 -9.010 -9.792 26.366 1.00 0.01 H ATOM 106 CD LYS 7 -8.154 -11.179 27.761 1.00 -0.05 C ATOM 107 1HD LYS 7 -8.070 -12.260 27.876 1.00 0.06 H ATOM 108 2HD LYS 7 -7.151 -10.751 27.737 1.00 0.06 H ATOM 109 CE LYS 7 -8.905 -10.587 28.962 1.00 -0.01 C ATOM 110 1HE LYS 7 -9.051 -9.517 28.791 1.00 0.11 H ATOM 111 2HE LYS 7 -9.886 -11.059 29.044 1.00 0.11 H ATOM 112 NZ LYS 7 -8.152 -10.779 30.253 1.00 -0.38 N ATOM 113 1HZ LYS 7 -7.248 -10.330 30.193 1.00 0.17 H ATOM 114 2HZ LYS 7 -8.672 -10.370 31.018 1.00 0.17 H ATOM 115 3HZ LYS 7 -8.022 -11.765 30.433 1.00 0.17 H ATOM 116 N LYS 8 -10.512 -12.841 23.201 1.00 -0.35 N ATOM 117 H LYS 8 -11.221 -13.382 23.678 1.00 0.28 H ATOM 118 CA LYS 8 -9.910 -13.358 21.971 1.00 -0.24 C ATOM 119 HA LYS 8 -8.829 -13.238 22.033 1.00 0.14 H ATOM 120 C LYS 8 -10.363 -12.551 20.763 1.00 0.73 C ATOM 121 O LYS 8 -9.535 -12.208 19.932 1.00 -0.59 O ATOM 122 CB LYS 8 -10.254 -14.836 21.751 1.00 -0.01 C ATOM 123 1HB LYS 8 -11.337 -14.943 21.757 1.00 0.04 H ATOM 124 2HB LYS 8 -9.899 -15.125 20.761 1.00 0.04 H ATOM 125 CG LYS 8 -9.665 -15.813 22.774 1.00 0.02 C ATOM 126 1HG LYS 8 -9.956 -15.514 23.780 1.00 0.01 H ATOM 127 2HG LYS 8 -10.076 -16.803 22.574 1.00 0.01 H ATOM 128 CD LYS 8 -8.138 -15.897 22.688 1.00 -0.05 C ATOM 129 1HD LYS 8 -7.857 -16.112 21.656 1.00 0.06 H ATOM 130 2HD LYS 8 -7.702 -14.943 22.985 1.00 0.06 H ATOM 131 CE LYS 8 -7.596 -17.002 23.591 1.00 -0.01 C ATOM 132 1HE LYS 8 -7.889 -16.794 24.623 1.00 0.11 H ATOM 133 2HE LYS 8 -8.041 -17.954 23.290 1.00 0.11 H ATOM 134 NZ LYS 8 -6.094 -17.108 23.503 1.00 -0.38 N ATOM 135 1HZ LYS 8 -5.668 -16.233 23.777 1.00 0.17 H ATOM 136 2HZ LYS 8 -5.764 -17.842 24.116 1.00 0.17 H ATOM 137 3HZ LYS 8 -5.820 -17.324 22.554 1.00 0.17 H ATOM 138 N VAL 9 -11.641 -12.214 20.662 1.00 -0.42 N ATOM 139 H VAL 9 -12.316 -12.516 21.360 1.00 0.27 H ATOM 140 CA VAL 9 -12.105 -11.447 19.503 1.00 -0.09 C ATOM 141 HA VAL 9 -11.642 -11.880 18.617 1.00 0.10 H ATOM 142 C VAL 9 -11.647 -9.994 19.563 1.00 0.60 C ATOM 143 O VAL 9 -11.567 -9.334 18.541 1.00 -0.57 O ATOM 144 CB VAL 9 -13.645 -11.513 19.291 1.00 0.30 C ATOM 145 HB VAL 9 -13.884 -10.958 18.385 1.00 -0.03 H ATOM 146 CG1 VAL 9 -14.092 -12.968 19.082 1.00 -0.32 C ATOM 147 1HG1 VAL 9 -13.930 -13.558 19.984 1.00 0.08 H ATOM 148 2HG1 VAL 9 -15.154 -12.990 18.833 1.00 0.08 H ATOM 149 3HG1 VAL 9 -13.534 -13.411 18.256 1.00 0.08 H ATOM 150 CG2 VAL 9 -14.423 -10.887 20.451 1.00 -0.32 C ATOM 151 1HG2 VAL 9 -15.493 -10.949 20.251 1.00 0.08 H ATOM 152 2HG2 VAL 9 -14.206 -11.405 21.378 1.00 0.08 H ATOM 153 3HG2 VAL 9 -14.159 -9.834 20.559 1.00 0.08 H ATOM 154 N ALA 10 -11.270 -9.498 20.734 1.00 -0.42 N ATOM 155 H ALA 10 -11.366 -10.045 21.575 1.00 0.27 H ATOM 156 CA ALA 10 -10.719 -8.150 20.825 1.00 0.03 C ATOM 157 HA ALA 10 -11.392 -7.456 20.318 1.00 0.08 H ATOM 158 C ALA 10 -9.354 -8.084 20.127 1.00 0.60 C ATOM 159 O ALA 10 -8.940 -7.044 19.632 1.00 -0.57 O ATOM 160 CB ALA 10 -10.601 -7.739 22.298 1.00 -0.18 C ATOM 161 1HB ALA 10 -11.578 -7.809 22.781 1.00 0.06 H ATOM 162 2HB ALA 10 -9.892 -8.388 22.812 1.00 0.06 H ATOM 163 3HB ALA 10 -10.246 -6.709 22.357 1.00 0.06 H ATOM 164 N SER 11 -8.661 -9.213 20.064 1.00 -0.42 N ATOM 165 H SER 11 -9.066 -10.064 20.432 1.00 0.27 H ATOM 166 CA SER 11 -7.313 -9.267 19.503 1.00 -0.03 C ATOM 167 HA SER 11 -6.747 -8.424 19.899 1.00 0.08 H ATOM 168 C SER 11 -7.248 -9.198 17.976 1.00 0.60 C ATOM 169 O SER 11 -6.153 -9.095 17.418 1.00 -0.57 O ATOM 170 CB SER 11 -6.629 -10.556 19.965 1.00 0.21 C ATOM 171 1HB SER 11 -6.762 -10.661 21.043 1.00 0.04 H ATOM 172 2HB SER 11 -7.094 -11.407 19.466 1.00 0.04 H ATOM 173 OG SER 11 -5.241 -10.543 19.677 1.00 -0.65 O ATOM 174 HG SER 11 -5.122 -10.183 18.787 1.00 0.43 H ATOM 175 N VAL 12 -8.378 -9.240 17.278 1.00 -0.42 N ATOM 176 H VAL 12 -9.272 -9.265 17.755 1.00 0.27 H ATOM 177 CA VAL 12 -8.359 -9.281 15.807 1.00 -0.09 C ATOM 178 HA VAL 12 -7.649 -10.052 15.509 1.00 0.10 H ATOM 179 C VAL 12 -7.886 -7.975 15.172 1.00 0.60 C ATOM 180 O VAL 12 -7.593 -7.923 13.985 1.00 -0.57 O ATOM 181 CB VAL 12 -9.742 -9.658 15.199 1.00 0.30 C ATOM 182 HB VAL 12 -9.613 -9.788 14.125 1.00 -0.03 H ATOM 183 CG1 VAL 12 -10.230 -10.998 15.773 1.00 -0.32 C ATOM 184 1HG1 VAL 12 -10.426 -10.913 16.839 1.00 0.08 H ATOM 185 2HG1 VAL 12 -11.149 -11.295 15.269 1.00 0.08 H ATOM 186 3HG1 VAL 12 -9.476 -11.768 15.605 1.00 0.08 H ATOM 187 CG2 VAL 12 -10.791 -8.553 15.409 1.00 -0.32 C ATOM 188 1HG2 VAL 12 -11.770 -8.905 15.085 1.00 0.08 H ATOM 189 2HG2 VAL 12 -10.850 -8.263 16.456 1.00 0.08 H ATOM 190 3HG2 VAL 12 -10.529 -7.677 14.815 1.00 0.08 H ATOM 191 N ILE 13 -7.771 -6.933 15.984 1.00 -0.42 N ATOM 192 H ILE 13 -8.056 -7.026 16.948 1.00 0.27 H ATOM 193 CA ILE 13 -7.232 -5.643 15.553 1.00 -0.06 C ATOM 194 HA ILE 13 -7.747 -5.343 14.640 1.00 0.09 H ATOM 195 C ILE 13 -5.735 -5.720 15.222 1.00 0.60 C ATOM 196 O ILE 13 -5.174 -4.818 14.614 1.00 -0.57 O ATOM 197 CB ILE 13 -7.513 -4.564 16.642 1.00 0.13 C ATOM 198 HB ILE 13 -7.176 -3.599 16.263 1.00 0.02 H ATOM 199 CG1 ILE 13 -6.742 -4.877 17.945 1.00 -0.04 C ATOM 200 1HG1 ILE 13 -7.045 -5.856 18.312 1.00 0.02 H ATOM 201 2HG1 ILE 13 -5.683 -4.921 17.713 1.00 0.02 H ATOM 202 CG2 ILE 13 -9.046 -4.474 16.894 1.00 -0.32 C ATOM 203 1HG2 ILE 13 -9.404 -5.341 17.450 1.00 0.09 H ATOM 204 2HG2 ILE 13 -9.264 -3.573 17.469 1.00 0.09 H ATOM 205 3HG2 ILE 13 -9.575 -4.402 15.943 1.00 0.09 H ATOM 206 CD1 ILE 13 -6.915 -3.872 19.087 1.00 -0.07 C ATOM 207 1HD1 ILE 13 -6.699 -2.863 18.727 1.00 0.02 H ATOM 208 2HD1 ILE 13 -7.933 -3.911 19.474 1.00 0.02 H ATOM 209 3HD1 ILE 13 -6.222 -4.116 19.890 1.00 0.02 H ATOM 210 N GLY 14 -5.071 -6.804 15.611 1.00 -0.42 N ATOM 211 H GLY 14 -5.544 -7.519 16.152 1.00 0.27 H ATOM 212 CA GLY 14 -3.682 -7.012 15.228 1.00 -0.03 C ATOM 213 1HA GLY 14 -3.452 -8.074 15.301 1.00 0.07 H ATOM 214 2HA GLY 14 -3.564 -6.711 14.186 1.00 0.07 H ATOM 215 C GLY 14 -2.661 -6.241 16.041 1.00 0.60 C ATOM 216 O GLY 14 -1.462 -6.366 15.815 1.00 -0.57 O ATOM 217 N GLY 15 -3.139 -5.453 16.994 1.00 -0.42 N ATOM 218 H GLY 15 -4.133 -5.410 17.143 1.00 0.27 H ATOM 219 CA GLY 15 -2.276 -4.603 17.800 1.00 -0.03 C ATOM 220 1HA GLY 15 -2.685 -4.541 18.807 1.00 0.07 H ATOM 221 2HA GLY 15 -1.276 -5.031 17.854 1.00 0.07 H ATOM 222 C GLY 15 -2.180 -3.196 17.246 1.00 0.60 C ATOM 223 O GLY 15 -1.322 -2.420 17.670 1.00 -0.57 O ATOM 224 N LEU 16 -3.066 -2.877 16.310 1.00 -0.42 N ATOM 225 H LEU 16 -3.744 -3.558 16.004 1.00 0.27 H ATOM 226 CA LEU 16 -3.194 -1.540 15.735 1.00 -0.05 C ATOM 227 HA LEU 16 -2.428 -0.879 16.136 1.00 0.09 H ATOM 228 C LEU 16 -4.561 -1.012 16.154 1.00 0.60 C ATOM 229 O LEU 16 -4.926 0.121 15.779 1.00 -0.57 O ATOM 230 OXT LEU 16 -5.256 -1.782 16.851 1.00 -0.57 O ATOM 231 CB LEU 16 -3.088 -1.606 14.205 1.00 -0.11 C ATOM 232 1HB LEU 16 -3.906 -2.232 13.848 1.00 0.05 H ATOM 233 2HB LEU 16 -3.251 -0.600 13.821 1.00 0.05 H ATOM 234 CG LEU 16 -1.781 -2.141 13.602 1.00 0.35 C ATOM 235 HG LEU 16 -1.610 -3.153 13.968 1.00 -0.04 H ATOM 236 CD1 LEU 16 -1.917 -2.199 12.085 1.00 -0.41 C ATOM 237 1HD1 LEU 16 -2.757 -2.844 11.824 1.00 0.10 H ATOM 238 2HD1 LEU 16 -2.091 -1.200 11.686 1.00 0.10 H ATOM 239 3HD1 LEU 16 -1.009 -2.615 11.652 1.00 0.10 H ATOM 240 CD2 LEU 16 -0.577 -1.280 13.977 1.00 -0.41 C ATOM 241 1HD2 LEU 16 -0.749 -0.246 13.683 1.00 0.10 H ATOM 242 2HD2 LEU 16 -0.428 -1.324 15.058 1.00 0.10 H ATOM 243 3HD2 LEU 16 0.318 -1.662 13.491 1.00 0.10 H TER 244 LEU 16 END