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\FLPIVGKLLSGLF.pdb REMARK YASARA Written on: Wed May 14 17:05:51 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 215 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA SEQRES 1 13 PHE LEU PRO ILE VAL GLY LYS LEU LEU SER GLY LEU PHE ATOM 1 N PHE 1 -5.405 -12.334 16.476 1.00 -0.42 N ATOM 2 1H PHE 1 -5.454 -13.268 16.858 1.00 -0.42 H ATOM 3 2H PHE 1 -6.049 -11.735 16.978 1.00 -0.42 H ATOM 4 3H PHE 1 -5.679 -12.359 15.505 1.00 0.27 H ATOM 5 CA PHE 1 -4.018 -11.807 16.595 1.00 -0.00 C ATOM 6 HA PHE 1 -3.744 -11.856 17.647 1.00 0.10 H ATOM 7 C PHE 1 -3.975 -10.334 16.208 1.00 0.60 C ATOM 8 O PHE 1 -3.553 -9.521 17.012 1.00 -0.57 O ATOM 9 CB PHE 1 -3.008 -12.669 15.817 1.00 -0.03 C ATOM 10 1HB PHE 1 -2.003 -12.318 16.048 1.00 0.03 H ATOM 11 2HB PHE 1 -3.097 -13.699 16.159 1.00 0.03 H ATOM 12 CG PHE 1 -3.193 -12.647 14.321 1.00 0.01 C ATOM 13 CD1 PHE 1 -2.392 -11.809 13.521 1.00 -0.13 C ATOM 14 HD1 PHE 1 -1.621 -11.197 13.973 1.00 0.13 H ATOM 15 CD2 PHE 1 -4.158 -13.465 13.698 1.00 -0.13 C ATOM 16 HD2 PHE 1 -4.752 -14.152 14.283 1.00 0.13 H ATOM 17 CE1 PHE 1 -2.573 -11.757 12.116 1.00 -0.17 C ATOM 18 HE1 PHE 1 -1.948 -11.113 11.512 1.00 0.14 H ATOM 19 CE2 PHE 1 -4.356 -13.411 12.296 1.00 -0.17 C ATOM 20 HE2 PHE 1 -5.099 -14.041 11.825 1.00 0.14 H ATOM 21 CZ PHE 1 -3.565 -12.551 11.505 1.00 -0.11 C ATOM 22 HZ PHE 1 -3.710 -12.510 10.434 1.00 0.13 H ATOM 23 N LEU 2 -4.526 -9.957 15.057 1.00 -0.42 N ATOM 24 H LEU 2 -4.652 -10.619 14.304 1.00 0.27 H ATOM 25 CA LEU 2 -5.036 -8.598 14.866 1.00 -0.05 C ATOM 26 HA LEU 2 -4.271 -7.857 15.109 1.00 0.09 H ATOM 27 C LEU 2 -6.213 -8.481 15.831 1.00 0.60 C ATOM 28 O LEU 2 -6.784 -9.527 16.176 1.00 -0.57 O ATOM 29 CB LEU 2 -5.532 -8.423 13.423 1.00 -0.11 C ATOM 30 1HB LEU 2 -6.295 -9.178 13.250 1.00 0.05 H ATOM 31 2HB LEU 2 -6.011 -7.449 13.343 1.00 0.05 H ATOM 32 CG LEU 2 -4.508 -8.527 12.284 1.00 0.35 C ATOM 33 HG LEU 2 -3.986 -9.474 12.377 1.00 -0.04 H ATOM 34 CD1 LEU 2 -5.234 -8.518 10.944 1.00 -0.41 C ATOM 35 1HD1 LEU 2 -5.773 -7.580 10.804 1.00 0.10 H ATOM 36 2HD1 LEU 2 -4.510 -8.626 10.134 1.00 0.10 H ATOM 37 3HD1 LEU 2 -5.935 -9.350 10.887 1.00 0.10 H ATOM 38 CD2 LEU 2 -3.474 -7.406 12.321 1.00 -0.41 C ATOM 39 1HD2 LEU 2 -2.782 -7.512 11.482 1.00 0.10 H ATOM 40 2HD2 LEU 2 -3.962 -6.433 12.255 1.00 0.10 H ATOM 41 3HD2 LEU 2 -2.894 -7.458 13.242 1.00 0.10 H ATOM 42 N PRO 3 -6.622 -7.262 16.233 1.00 -0.25 N ATOM 43 CA PRO 3 -7.759 -7.244 17.164 1.00 -0.03 C ATOM 44 HA PRO 3 -7.506 -7.801 18.060 1.00 0.06 H ATOM 45 C PRO 3 -9.049 -7.814 16.575 1.00 0.59 C ATOM 46 O PRO 3 -9.810 -8.481 17.260 1.00 -0.57 O ATOM 47 CB PRO 3 -7.889 -5.758 17.520 1.00 -0.01 C ATOM 48 1HB PRO 3 -8.929 -5.488 17.707 1.00 0.03 H ATOM 49 2HB PRO 3 -7.275 -5.529 18.389 1.00 0.03 H ATOM 50 CG PRO 3 -7.339 -5.041 16.343 1.00 0.02 C ATOM 51 1HG PRO 3 -8.072 -5.017 15.536 1.00 0.02 H ATOM 52 2HG PRO 3 -7.027 -4.030 16.611 1.00 0.02 H ATOM 53 CD PRO 3 -6.149 -5.889 15.955 1.00 0.02 C ATOM 54 1HD PRO 3 -5.913 -5.749 14.900 1.00 0.04 H ATOM 55 2HD PRO 3 -5.287 -5.652 16.581 1.00 0.04 H ATOM 56 N ILE 4 -9.266 -7.612 15.284 1.00 -0.42 N ATOM 57 H ILE 4 -8.609 -7.065 14.755 1.00 0.27 H ATOM 58 CA ILE 4 -10.465 -8.109 14.606 1.00 -0.06 C ATOM 59 HA ILE 4 -11.347 -7.748 15.138 1.00 0.09 H ATOM 60 C ILE 4 -10.500 -9.640 14.619 1.00 0.60 C ATOM 61 O ILE 4 -11.555 -10.262 14.730 1.00 -0.57 O ATOM 62 CB ILE 4 -10.499 -7.572 13.135 1.00 0.13 C ATOM 63 HB ILE 4 -9.640 -7.984 12.605 1.00 0.02 H ATOM 64 CG1 ILE 4 -10.364 -6.031 13.096 1.00 -0.04 C ATOM 65 1HG1 ILE 4 -9.390 -5.749 13.493 1.00 0.02 H ATOM 66 2HG1 ILE 4 -10.379 -5.725 12.050 1.00 0.02 H ATOM 67 CG2 ILE 4 -11.776 -8.025 12.393 1.00 -0.32 C ATOM 68 1HG2 ILE 4 -11.778 -9.109 12.269 1.00 0.09 H ATOM 69 2HG2 ILE 4 -12.668 -7.738 12.951 1.00 0.09 H ATOM 70 3HG2 ILE 4 -11.812 -7.571 11.401 1.00 0.09 H ATOM 71 CD1 ILE 4 -11.439 -5.202 13.843 1.00 -0.07 C ATOM 72 1HD1 ILE 4 -11.407 -5.413 14.911 1.00 0.02 H ATOM 73 2HD1 ILE 4 -11.241 -4.140 13.687 1.00 0.02 H ATOM 74 3HD1 ILE 4 -12.432 -5.428 13.453 1.00 0.02 H ATOM 75 N VAL 5 -9.331 -10.260 14.548 1.00 -0.42 N ATOM 76 H VAL 5 -8.481 -9.723 14.549 1.00 0.27 H ATOM 77 CA VAL 5 -9.244 -11.719 14.513 1.00 -0.09 C ATOM 78 HA VAL 5 -10.114 -12.086 13.968 1.00 0.10 H ATOM 79 C VAL 5 -9.325 -12.260 15.944 1.00 0.60 C ATOM 80 O VAL 5 -8.313 -12.469 16.627 1.00 -0.57 O ATOM 81 CB VAL 5 -7.975 -12.215 13.759 1.00 0.30 C ATOM 82 HB VAL 5 -7.087 -11.911 14.312 1.00 -0.03 H ATOM 83 CG1 VAL 5 -7.982 -13.747 13.621 1.00 -0.32 C ATOM 84 1HG1 VAL 5 -8.879 -14.072 13.086 1.00 0.08 H ATOM 85 2HG1 VAL 5 -7.110 -14.080 13.063 1.00 0.08 H ATOM 86 3HG1 VAL 5 -7.966 -14.220 14.604 1.00 0.08 H ATOM 87 CG2 VAL 5 -7.905 -11.589 12.355 1.00 -0.32 C ATOM 88 1HG2 VAL 5 -7.848 -10.506 12.414 1.00 0.08 H ATOM 89 2HG2 VAL 5 -7.019 -11.951 11.831 1.00 0.08 H ATOM 90 3HG2 VAL 5 -8.791 -11.860 11.776 1.00 0.08 H ATOM 91 N GLY 6 -10.557 -12.430 16.401 1.00 -0.42 N ATOM 92 H GLY 6 -11.329 -12.087 15.831 1.00 0.27 H ATOM 93 CA GLY 6 -10.871 -13.090 17.661 1.00 -0.03 C ATOM 94 1HA GLY 6 -11.907 -13.428 17.619 1.00 0.07 H ATOM 95 2HA GLY 6 -10.237 -13.974 17.750 1.00 0.07 H ATOM 96 C GLY 6 -10.705 -12.281 18.932 1.00 0.60 C ATOM 97 O GLY 6 -11.520 -12.372 19.835 1.00 -0.57 O ATOM 98 N LYS 7 -9.663 -11.469 19.006 1.00 -0.35 N ATOM 99 H LYS 7 -9.050 -11.402 18.202 1.00 0.28 H ATOM 100 CA LYS 7 -9.344 -10.705 20.214 1.00 -0.24 C ATOM 101 HA LYS 7 -9.150 -11.394 21.038 1.00 0.14 H ATOM 102 C LYS 7 -10.482 -9.793 20.675 1.00 0.73 C ATOM 103 O LYS 7 -10.919 -9.860 21.820 1.00 -0.59 O ATOM 104 CB LYS 7 -8.085 -9.885 19.933 1.00 -0.01 C ATOM 105 1HB LYS 7 -8.116 -9.569 18.898 1.00 0.04 H ATOM 106 2HB LYS 7 -8.107 -9.000 20.555 1.00 0.04 H ATOM 107 CG LYS 7 -6.767 -10.605 20.181 1.00 0.02 C ATOM 108 1HG LYS 7 -6.720 -10.925 21.222 1.00 0.01 H ATOM 109 2HG LYS 7 -6.715 -11.483 19.538 1.00 0.01 H ATOM 110 CD LYS 7 -5.574 -9.689 19.877 1.00 -0.05 C ATOM 111 1HD LYS 7 -4.954 -10.181 19.134 1.00 0.06 H ATOM 112 2HD LYS 7 -5.935 -8.753 19.450 1.00 0.06 H ATOM 113 CE LYS 7 -4.698 -9.373 21.099 1.00 -0.01 C ATOM 114 1HE LYS 7 -4.405 -10.309 21.579 1.00 0.11 H ATOM 115 2HE LYS 7 -3.794 -8.876 20.744 1.00 0.11 H ATOM 116 NZ LYS 7 -5.347 -8.481 22.118 1.00 -0.38 N ATOM 117 1HZ LYS 7 -4.716 -8.253 22.866 1.00 0.17 H ATOM 118 2HZ LYS 7 -5.657 -7.610 21.686 1.00 0.17 H ATOM 119 3HZ LYS 7 -6.180 -8.917 22.504 1.00 0.17 H ATOM 120 N LEU 8 -11.006 -8.989 19.765 1.00 -0.42 N ATOM 121 H LEU 8 -10.601 -8.971 18.830 1.00 0.27 H ATOM 122 CA LEU 8 -12.115 -8.077 20.046 1.00 -0.05 C ATOM 123 HA LEU 8 -11.835 -7.412 20.861 1.00 0.09 H ATOM 124 C LEU 8 -13.380 -8.821 20.459 1.00 0.60 C ATOM 125 O LEU 8 -14.094 -8.390 21.358 1.00 -0.57 O ATOM 126 CB LEU 8 -12.382 -7.253 18.781 1.00 -0.11 C ATOM 127 1HB LEU 8 -11.453 -6.742 18.531 1.00 0.05 H ATOM 128 2HB LEU 8 -12.591 -7.961 17.979 1.00 0.05 H ATOM 129 CG LEU 8 -13.506 -6.208 18.752 1.00 0.35 C ATOM 130 HG LEU 8 -14.455 -6.712 18.937 1.00 -0.04 H ATOM 131 CD1 LEU 8 -13.344 -5.099 19.784 1.00 -0.41 C ATOM 132 1HD1 LEU 8 -12.367 -4.626 19.691 1.00 0.10 H ATOM 133 2HD1 LEU 8 -14.121 -4.348 19.646 1.00 0.10 H ATOM 134 3HD1 LEU 8 -13.456 -5.520 20.782 1.00 0.10 H ATOM 135 CD2 LEU 8 -13.558 -5.597 17.352 1.00 -0.41 C ATOM 136 1HD2 LEU 8 -14.399 -4.906 17.286 1.00 0.10 H ATOM 137 2HD2 LEU 8 -12.633 -5.056 17.142 1.00 0.10 H ATOM 138 3HD2 LEU 8 -13.699 -6.380 16.606 1.00 0.10 H ATOM 139 N LEU 9 -13.631 -9.958 19.827 1.00 -0.42 N ATOM 140 H LEU 9 -12.983 -10.286 19.132 1.00 0.27 H ATOM 141 CA LEU 9 -14.813 -10.771 20.119 1.00 -0.05 C ATOM 142 HA LEU 9 -15.701 -10.147 20.029 1.00 0.09 H ATOM 143 C LEU 9 -14.764 -11.327 21.542 1.00 0.60 C ATOM 144 O LEU 9 -15.776 -11.399 22.230 1.00 -0.57 O ATOM 145 CB LEU 9 -14.894 -11.918 19.105 1.00 -0.11 C ATOM 146 1HB LEU 9 -14.832 -11.483 18.108 1.00 0.05 H ATOM 147 2HB LEU 9 -14.018 -12.548 19.247 1.00 0.05 H ATOM 148 CG LEU 9 -16.124 -12.838 19.141 1.00 0.35 C ATOM 149 HG LEU 9 -16.193 -13.294 20.127 1.00 -0.04 H ATOM 150 CD1 LEU 9 -17.426 -12.090 18.860 1.00 -0.41 C ATOM 151 1HD1 LEU 9 -18.256 -12.795 18.842 1.00 0.10 H ATOM 152 2HD1 LEU 9 -17.615 -11.369 19.657 1.00 0.10 H ATOM 153 3HD1 LEU 9 -17.370 -11.573 17.903 1.00 0.10 H ATOM 154 CD2 LEU 9 -15.944 -13.954 18.112 1.00 -0.41 C ATOM 155 1HD2 LEU 9 -15.876 -13.538 17.106 1.00 0.10 H ATOM 156 2HD2 LEU 9 -15.034 -14.514 18.335 1.00 0.10 H ATOM 157 3HD2 LEU 9 -16.792 -14.639 18.162 1.00 0.10 H ATOM 158 N SER 10 -13.569 -11.670 21.996 1.00 -0.42 N ATOM 159 H SER 10 -12.764 -11.623 21.379 1.00 0.27 H ATOM 160 CA SER 10 -13.350 -12.142 23.362 1.00 -0.03 C ATOM 161 HA SER 10 -14.147 -12.835 23.630 1.00 0.08 H ATOM 162 C SER 10 -13.307 -11.031 24.409 1.00 0.60 C ATOM 163 O SER 10 -13.143 -11.308 25.594 1.00 -0.57 O ATOM 164 CB SER 10 -12.019 -12.887 23.420 1.00 0.21 C ATOM 165 1HB SER 10 -11.208 -12.194 23.190 1.00 0.04 H ATOM 166 2HB SER 10 -11.873 -13.289 24.423 1.00 0.04 H ATOM 167 OG SER 10 -12.010 -13.949 22.478 1.00 -0.65 O ATOM 168 HG SER 10 -11.172 -14.408 22.547 1.00 0.43 H ATOM 169 N GLY 11 -13.396 -9.777 23.985 1.00 -0.42 N ATOM 170 H GLY 11 -13.556 -9.581 23.002 1.00 0.27 H ATOM 171 CA GLY 11 -13.282 -8.657 24.911 1.00 -0.03 C ATOM 172 1HA GLY 11 -13.650 -7.757 24.424 1.00 0.07 H ATOM 173 2HA GLY 11 -13.894 -8.854 25.791 1.00 0.07 H ATOM 174 C GLY 11 -11.853 -8.426 25.364 1.00 0.60 C ATOM 175 O GLY 11 -11.594 -7.785 26.377 1.00 -0.57 O ATOM 176 N LEU 12 -10.917 -8.973 24.602 1.00 -0.42 N ATOM 177 H LEU 12 -11.196 -9.457 23.753 1.00 0.27 H ATOM 178 CA LEU 12 -9.487 -8.933 24.903 1.00 -0.05 C ATOM 179 HA LEU 12 -9.305 -8.223 25.709 1.00 0.09 H ATOM 180 C LEU 12 -8.813 -8.429 23.632 1.00 0.60 C ATOM 181 O LEU 12 -7.968 -9.095 23.028 1.00 -0.57 O ATOM 182 CB LEU 12 -9.010 -10.333 25.310 1.00 -0.11 C ATOM 183 1HB LEU 12 -9.703 -10.706 26.063 1.00 0.05 H ATOM 184 2HB LEU 12 -9.101 -10.980 24.438 1.00 0.05 H ATOM 185 CG LEU 12 -7.587 -10.491 25.875 1.00 0.35 C ATOM 186 HG LEU 12 -6.870 -10.123 25.144 1.00 -0.04 H ATOM 187 CD1 LEU 12 -7.381 -9.714 27.175 1.00 -0.41 C ATOM 188 1HD1 LEU 12 -8.123 -10.017 27.915 1.00 0.10 H ATOM 189 2HD1 LEU 12 -6.381 -9.898 27.565 1.00 0.10 H ATOM 190 3HD1 LEU 12 -7.487 -8.646 26.988 1.00 0.10 H ATOM 191 CD2 LEU 12 -7.307 -11.975 26.112 1.00 -0.41 C ATOM 192 1HD2 LEU 12 -7.420 -12.525 25.178 1.00 0.10 H ATOM 193 2HD2 LEU 12 -6.286 -12.100 26.473 1.00 0.10 H ATOM 194 3HD2 LEU 12 -8.001 -12.375 26.854 1.00 0.10 H ATOM 195 N PHE 13 -9.314 -7.281 23.204 1.00 -0.42 N ATOM 196 H PHE 13 -9.972 -6.814 23.808 1.00 0.27 H ATOM 197 CA PHE 13 -8.985 -6.627 21.933 1.00 -0.00 C ATOM 198 HA PHE 13 -9.296 -7.270 21.117 1.00 0.10 H ATOM 199 C PHE 13 -7.496 -6.374 21.757 1.00 0.60 C ATOM 200 O PHE 13 -7.003 -6.651 20.643 1.00 -0.57 O ATOM 201 OXT PHE 13 -6.809 -6.032 22.736 1.00 -0.57 O ATOM 202 CB PHE 13 -9.759 -5.309 21.829 1.00 -0.03 C ATOM 203 1HB PHE 13 -9.063 -4.515 21.559 1.00 0.03 H ATOM 204 2HB PHE 13 -10.493 -5.398 21.033 1.00 0.03 H ATOM 205 CG PHE 13 -10.468 -4.928 23.101 1.00 0.01 C ATOM 206 CD1 PHE 13 -11.806 -5.314 23.319 1.00 -0.13 C ATOM 207 HD1 PHE 13 -12.334 -5.870 22.560 1.00 0.13 H ATOM 208 CD2 PHE 13 -9.786 -4.223 24.109 1.00 -0.13 C ATOM 209 HD2 PHE 13 -8.755 -3.932 23.958 1.00 0.13 H ATOM 210 CE1 PHE 13 -12.462 -5.001 24.533 1.00 -0.17 C ATOM 211 HE1 PHE 13 -13.485 -5.306 24.690 1.00 0.14 H ATOM 212 CE2 PHE 13 -10.426 -3.913 25.334 1.00 -0.17 C ATOM 213 HE2 PHE 13 -9.888 -3.384 26.108 1.00 0.14 H ATOM 214 CZ PHE 13 -11.766 -4.305 25.547 1.00 -0.11 C ATOM 215 HZ PHE 13 -12.254 -4.082 26.485 1.00 0.13 H TER 216 PHE 13 END