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\FVPWFSKFLGRIL.pdb REMARK YASARA Written on: Wed May 14 17:06:44 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 238 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA SEQRES 1 13 PHE VAL PRO TRP PHE SER LYS PHE LEU GLY ARG ILE LEU ATOM 1 N PHE 1 -12.160 -6.139 15.187 1.00 -0.42 N ATOM 2 1H PHE 1 -11.660 -7.004 15.028 1.00 -0.42 H ATOM 3 2H PHE 1 -11.679 -5.600 15.893 1.00 -0.42 H ATOM 4 3H PHE 1 -13.098 -6.345 15.499 1.00 0.27 H ATOM 5 CA PHE 1 -12.215 -5.363 13.920 1.00 -0.00 C ATOM 6 HA PHE 1 -12.755 -5.977 13.199 1.00 0.10 H ATOM 7 C PHE 1 -10.811 -5.205 13.348 1.00 0.60 C ATOM 8 O PHE 1 -10.459 -5.979 12.471 1.00 -0.57 O ATOM 9 CB PHE 1 -13.018 -4.054 14.077 1.00 -0.03 C ATOM 10 1HB PHE 1 -13.024 -3.529 13.122 1.00 0.03 H ATOM 11 2HB PHE 1 -14.046 -4.317 14.325 1.00 0.03 H ATOM 12 CG PHE 1 -12.509 -3.117 15.151 1.00 0.01 C ATOM 13 CD1 PHE 1 -12.778 -3.354 16.514 1.00 -0.13 C ATOM 14 HD1 PHE 1 -13.389 -4.194 16.814 1.00 0.13 H ATOM 15 CD2 PHE 1 -11.786 -1.963 14.795 1.00 -0.13 C ATOM 16 HD2 PHE 1 -11.621 -1.726 13.752 1.00 0.13 H ATOM 17 CE1 PHE 1 -12.269 -2.493 17.515 1.00 -0.17 C ATOM 18 HE1 PHE 1 -12.476 -2.689 18.558 1.00 0.14 H ATOM 19 CE2 PHE 1 -11.270 -1.093 15.787 1.00 -0.17 C ATOM 20 HE2 PHE 1 -10.708 -0.214 15.501 1.00 0.14 H ATOM 21 CZ PHE 1 -11.502 -1.368 17.151 1.00 -0.11 C ATOM 22 HZ PHE 1 -11.107 -0.710 17.913 1.00 0.13 H ATOM 23 N VAL 2 -9.966 -4.321 13.868 1.00 -0.42 N ATOM 24 H VAL 2 -10.278 -3.623 14.527 1.00 0.27 H ATOM 25 CA VAL 2 -8.536 -4.362 13.545 1.00 -0.09 C ATOM 26 HA VAL 2 -8.414 -4.353 12.461 1.00 0.10 H ATOM 27 C VAL 2 -8.001 -5.694 14.080 1.00 0.60 C ATOM 28 O VAL 2 -8.577 -6.246 15.032 1.00 -0.57 O ATOM 29 CB VAL 2 -7.770 -3.149 14.146 1.00 0.30 C ATOM 30 HB VAL 2 -6.708 -3.294 13.966 1.00 -0.03 H ATOM 31 CG1 VAL 2 -8.188 -1.853 13.446 1.00 -0.32 C ATOM 32 1HG1 VAL 2 -8.015 -1.940 12.372 1.00 0.08 H ATOM 33 2HG1 VAL 2 -9.238 -1.631 13.621 1.00 0.08 H ATOM 34 3HG1 VAL 2 -7.584 -1.025 13.821 1.00 0.08 H ATOM 35 CG2 VAL 2 -7.996 -3.016 15.661 1.00 -0.32 C ATOM 36 1HG2 VAL 2 -7.602 -3.891 16.172 1.00 0.08 H ATOM 37 2HG2 VAL 2 -7.457 -2.142 16.029 1.00 0.08 H ATOM 38 3HG2 VAL 2 -9.049 -2.891 15.901 1.00 0.08 H ATOM 39 N PRO 3 -6.953 -6.264 13.457 1.00 -0.25 N ATOM 40 CA PRO 3 -6.786 -7.693 13.755 1.00 -0.03 C ATOM 41 HA PRO 3 -7.740 -8.201 13.617 1.00 0.06 H ATOM 42 C PRO 3 -6.269 -8.045 15.146 1.00 0.59 C ATOM 43 O PRO 3 -6.581 -9.119 15.653 1.00 -0.57 O ATOM 44 CB PRO 3 -5.814 -8.155 12.666 1.00 -0.01 C ATOM 45 1HB PRO 3 -5.193 -8.979 13.017 1.00 0.03 H ATOM 46 2HB PRO 3 -6.365 -8.446 11.772 1.00 0.03 H ATOM 47 CG PRO 3 -5.001 -6.945 12.373 1.00 0.02 C ATOM 48 1HG PRO 3 -4.253 -6.796 13.152 1.00 0.02 H ATOM 49 2HG PRO 3 -4.526 -7.021 11.394 1.00 0.02 H ATOM 50 CD PRO 3 -6.025 -5.836 12.392 1.00 0.02 C ATOM 51 1HD PRO 3 -5.555 -4.883 12.635 1.00 0.04 H ATOM 52 2HD PRO 3 -6.548 -5.780 11.434 1.00 0.04 H ATOM 53 N TRP 4 -5.543 -7.157 15.809 1.00 -0.42 N ATOM 54 H TRP 4 -5.266 -6.288 15.375 1.00 0.27 H ATOM 55 CA TRP 4 -5.114 -7.439 17.177 1.00 -0.03 C ATOM 56 HA TRP 4 -4.715 -8.453 17.218 1.00 0.11 H ATOM 57 C TRP 4 -6.307 -7.379 18.126 1.00 0.60 C ATOM 58 O TRP 4 -6.396 -8.156 19.068 1.00 -0.57 O ATOM 59 CB TRP 4 -4.007 -6.476 17.612 1.00 -0.00 C ATOM 60 1HB TRP 4 -3.722 -6.710 18.638 1.00 0.03 H ATOM 61 2HB TRP 4 -3.140 -6.641 16.973 1.00 0.03 H ATOM 62 CG TRP 4 -4.378 -5.023 17.527 1.00 -0.14 C ATOM 63 CD1 TRP 4 -4.890 -4.245 18.519 1.00 -0.16 C ATOM 64 HD1 TRP 4 -5.112 -4.603 19.518 1.00 0.21 H ATOM 65 CD2 TRP 4 -4.230 -4.148 16.392 1.00 0.12 C ATOM 66 NE1 TRP 4 -5.065 -2.953 18.103 1.00 -0.34 N ATOM 67 HE1 TRP 4 -5.412 -2.205 18.689 1.00 0.34 H ATOM 68 CE2 TRP 4 -4.664 -2.853 16.799 1.00 0.14 C ATOM 69 CE3 TRP 4 -3.755 -4.321 15.075 1.00 -0.24 C ATOM 70 HE3 TRP 4 -3.379 -5.279 14.749 1.00 0.17 H ATOM 71 CZ2 TRP 4 -4.644 -1.743 15.929 1.00 -0.26 C ATOM 72 HZ2 TRP 4 -4.967 -0.769 16.264 1.00 0.16 H ATOM 73 CZ3 TRP 4 -3.749 -3.212 14.191 1.00 -0.20 C ATOM 74 HZ3 TRP 4 -3.391 -3.332 13.177 1.00 0.14 H ATOM 75 CH2 TRP 4 -4.195 -1.932 14.633 1.00 -0.11 C ATOM 76 HH2 TRP 4 -4.172 -1.095 13.949 1.00 0.14 H ATOM 77 N PHE 5 -7.278 -6.523 17.833 1.00 -0.42 N ATOM 78 H PHE 5 -7.174 -5.903 17.048 1.00 0.27 H ATOM 79 CA PHE 5 -8.507 -6.484 18.621 1.00 -0.00 C ATOM 80 HA PHE 5 -8.262 -6.426 19.683 1.00 0.10 H ATOM 81 C PHE 5 -9.281 -7.768 18.368 1.00 0.60 C ATOM 82 O PHE 5 -9.825 -8.362 19.283 1.00 -0.57 O ATOM 83 CB PHE 5 -9.376 -5.281 18.242 1.00 -0.03 C ATOM 84 1HB PHE 5 -8.778 -4.376 18.348 1.00 0.03 H ATOM 85 2HB PHE 5 -9.681 -5.374 17.203 1.00 0.03 H ATOM 86 CG PHE 5 -10.610 -5.138 19.092 1.00 0.01 C ATOM 87 CD1 PHE 5 -10.609 -4.272 20.198 1.00 -0.13 C ATOM 88 HD1 PHE 5 -9.717 -3.713 20.447 1.00 0.13 H ATOM 89 CD2 PHE 5 -11.778 -5.873 18.802 1.00 -0.13 C ATOM 90 HD2 PHE 5 -11.788 -6.567 17.978 1.00 0.13 H ATOM 91 CE1 PHE 5 -11.763 -4.124 21.006 1.00 -0.17 C ATOM 92 HE1 PHE 5 -11.748 -3.459 21.859 1.00 0.14 H ATOM 93 CE2 PHE 5 -12.940 -5.736 19.598 1.00 -0.17 C ATOM 94 HE2 PHE 5 -13.828 -6.309 19.373 1.00 0.14 H ATOM 95 CZ PHE 5 -12.932 -4.858 20.703 1.00 -0.11 C ATOM 96 HZ PHE 5 -13.813 -4.753 21.321 1.00 0.13 H ATOM 97 N SER 6 -9.314 -8.223 17.124 1.00 -0.42 N ATOM 98 H SER 6 -8.853 -7.710 16.380 1.00 0.27 H ATOM 99 CA SER 6 -10.013 -9.465 16.803 1.00 -0.03 C ATOM 100 HA SER 6 -11.043 -9.383 17.150 1.00 0.08 H ATOM 101 C SER 6 -9.376 -10.665 17.505 1.00 0.60 C ATOM 102 O SER 6 -10.078 -11.565 17.942 1.00 -0.57 O ATOM 103 CB SER 6 -10.017 -9.686 15.291 1.00 0.21 C ATOM 104 1HB SER 6 -8.992 -9.831 14.949 1.00 0.04 H ATOM 105 2HB SER 6 -10.599 -10.578 15.057 1.00 0.04 H ATOM 106 OG SER 6 -10.571 -8.558 14.625 1.00 -0.65 O ATOM 107 HG SER 6 -10.411 -8.664 13.678 1.00 0.43 H ATOM 108 N LYS 7 -8.059 -10.671 17.662 1.00 -0.35 N ATOM 109 H LYS 7 -7.498 -9.931 17.246 1.00 0.28 H ATOM 110 CA LYS 7 -7.388 -11.733 18.419 1.00 -0.24 C ATOM 111 HA LYS 7 -7.843 -12.686 18.158 1.00 0.14 H ATOM 112 C LYS 7 -7.555 -11.610 19.926 1.00 0.73 C ATOM 113 O LYS 7 -7.566 -12.621 20.610 1.00 -0.59 O ATOM 114 CB LYS 7 -5.893 -11.778 18.083 1.00 -0.01 C ATOM 115 1HB LYS 7 -5.498 -10.763 18.123 1.00 0.04 H ATOM 116 2HB LYS 7 -5.386 -12.369 18.847 1.00 0.04 H ATOM 117 CG LYS 7 -5.562 -12.395 16.721 1.00 0.02 C ATOM 118 1HG LYS 7 -6.121 -11.882 15.939 1.00 0.01 H ATOM 119 2HG LYS 7 -4.495 -12.266 16.534 1.00 0.01 H ATOM 120 CD LYS 7 -5.888 -13.894 16.689 1.00 -0.05 C ATOM 121 1HD LYS 7 -5.391 -14.379 17.530 1.00 0.06 H ATOM 122 2HD LYS 7 -6.964 -14.034 16.787 1.00 0.06 H ATOM 123 CE LYS 7 -5.430 -14.553 15.396 1.00 -0.01 C ATOM 124 1HE LYS 7 -5.913 -14.058 14.551 1.00 0.11 H ATOM 125 2HE LYS 7 -4.347 -14.441 15.301 1.00 0.11 H ATOM 126 NZ LYS 7 -5.789 -16.016 15.402 1.00 -0.38 N ATOM 127 1HZ LYS 7 -5.492 -16.449 14.538 1.00 0.17 H ATOM 128 2HZ LYS 7 -5.332 -16.479 16.177 1.00 0.17 H ATOM 129 3HZ LYS 7 -6.790 -16.125 15.500 1.00 0.17 H ATOM 130 N PHE 8 -7.710 -10.402 20.441 1.00 -0.42 N ATOM 131 H PHE 8 -7.609 -9.582 19.856 1.00 0.27 H ATOM 132 CA PHE 8 -8.040 -10.228 21.853 1.00 -0.00 C ATOM 133 HA PHE 8 -7.359 -10.820 22.464 1.00 0.10 H ATOM 134 C PHE 8 -9.461 -10.716 22.117 1.00 0.60 C ATOM 135 O PHE 8 -9.720 -11.395 23.105 1.00 -0.57 O ATOM 136 CB PHE 8 -7.918 -8.753 22.245 1.00 -0.03 C ATOM 137 1HB PHE 8 -6.896 -8.426 22.058 1.00 0.03 H ATOM 138 2HB PHE 8 -8.588 -8.164 21.621 1.00 0.03 H ATOM 139 CG PHE 8 -8.262 -8.488 23.684 1.00 0.01 C ATOM 140 CD1 PHE 8 -7.306 -8.690 24.694 1.00 -0.13 C ATOM 141 HD1 PHE 8 -6.310 -9.019 24.434 1.00 0.13 H ATOM 142 CD2 PHE 8 -9.552 -8.050 24.037 1.00 -0.13 C ATOM 143 HD2 PHE 8 -10.297 -7.893 23.270 1.00 0.13 H ATOM 144 CE1 PHE 8 -7.635 -8.474 26.057 1.00 -0.17 C ATOM 145 HE1 PHE 8 -6.894 -8.634 26.826 1.00 0.14 H ATOM 146 CE2 PHE 8 -9.893 -7.821 25.392 1.00 -0.17 C ATOM 147 HE2 PHE 8 -10.888 -7.488 25.651 1.00 0.14 H ATOM 148 CZ PHE 8 -8.934 -8.041 26.405 1.00 -0.11 C ATOM 149 HZ PHE 8 -9.193 -7.878 27.441 1.00 0.13 H ATOM 150 N LEU 9 -10.377 -10.382 21.219 1.00 -0.42 N ATOM 151 H LEU 9 -10.115 -9.799 20.431 1.00 0.27 H ATOM 152 CA LEU 9 -11.768 -10.800 21.353 1.00 -0.05 C ATOM 153 HA LEU 9 -12.116 -10.512 22.343 1.00 0.09 H ATOM 154 C LEU 9 -11.883 -12.315 21.237 1.00 0.60 C ATOM 155 O LEU 9 -12.550 -12.938 22.046 1.00 -0.57 O ATOM 156 CB LEU 9 -12.634 -10.113 20.292 1.00 -0.11 C ATOM 157 1HB LEU 9 -12.483 -9.038 20.381 1.00 0.05 H ATOM 158 2HB LEU 9 -12.271 -10.422 19.313 1.00 0.05 H ATOM 159 CG LEU 9 -14.146 -10.392 20.341 1.00 0.35 C ATOM 160 HG LEU 9 -14.308 -11.462 20.225 1.00 -0.04 H ATOM 161 CD1 LEU 9 -14.794 -9.946 21.652 1.00 -0.41 C ATOM 162 1HD1 LEU 9 -14.576 -8.898 21.854 1.00 0.10 H ATOM 163 2HD1 LEU 9 -15.873 -10.093 21.600 1.00 0.10 H ATOM 164 3HD1 LEU 9 -14.417 -10.562 22.472 1.00 0.10 H ATOM 165 CD2 LEU 9 -14.825 -9.680 19.169 1.00 -0.41 C ATOM 166 1HD2 LEU 9 -14.396 -10.032 18.231 1.00 0.10 H ATOM 167 2HD2 LEU 9 -15.890 -9.919 19.173 1.00 0.10 H ATOM 168 3HD2 LEU 9 -14.697 -8.602 19.257 1.00 0.10 H ATOM 169 N GLY 10 -11.153 -12.911 20.304 1.00 -0.42 N ATOM 170 H GLY 10 -10.598 -12.347 19.672 1.00 0.27 H ATOM 171 CA GLY 10 -11.124 -14.360 20.130 1.00 -0.03 C ATOM 172 1HA GLY 10 -12.139 -14.746 20.245 1.00 0.07 H ATOM 173 2HA GLY 10 -10.782 -14.589 19.123 1.00 0.07 H ATOM 174 C GLY 10 -10.236 -15.094 21.119 1.00 0.60 C ATOM 175 O GLY 10 -9.573 -16.083 20.793 1.00 -0.57 O ATOM 176 N ARG 11 -10.194 -14.552 22.326 1.00 -0.35 N ATOM 177 H ARG 11 -10.715 -13.697 22.457 1.00 0.28 H ATOM 178 CA ARG 11 -9.487 -15.120 23.470 1.00 -0.26 C ATOM 179 HA ARG 11 -9.312 -16.181 23.285 1.00 0.16 H ATOM 180 C ARG 11 -10.351 -14.983 24.726 1.00 0.73 C ATOM 181 O ARG 11 -10.019 -15.535 25.774 1.00 -0.59 O ATOM 182 CB ARG 11 -8.146 -14.394 23.622 1.00 -0.00 C ATOM 183 1HB ARG 11 -7.700 -14.312 22.632 1.00 0.03 H ATOM 184 2HB ARG 11 -8.332 -13.390 23.998 1.00 0.03 H ATOM 185 CG ARG 11 -7.134 -15.075 24.525 1.00 0.04 C ATOM 186 1HG ARG 11 -7.535 -15.151 25.533 1.00 0.03 H ATOM 187 2HG ARG 11 -6.926 -16.074 24.142 1.00 0.03 H ATOM 188 CD ARG 11 -5.849 -14.275 24.570 1.00 0.05 C ATOM 189 1HD ARG 11 -5.465 -14.164 23.554 1.00 0.07 H ATOM 190 2HD ARG 11 -6.063 -13.287 24.980 1.00 0.07 H ATOM 191 NE ARG 11 -4.844 -14.948 25.407 1.00 -0.53 N ATOM 192 HE ARG 11 -5.128 -15.824 25.816 1.00 0.35 H ATOM 193 CZ ARG 11 -3.619 -14.512 25.670 1.00 0.81 C ATOM 194 NH1 ARG 11 -2.844 -15.240 26.425 1.00 -0.86 N ATOM 195 1HH1 ARG 11 -3.180 -16.110 26.803 1.00 0.32 H ATOM 196 2HH1 ARG 11 -1.910 -14.932 26.634 1.00 0.32 H ATOM 197 NH2 ARG 11 -3.139 -13.384 25.211 1.00 -0.86 N ATOM 198 1HH2 ARG 11 -3.723 -12.801 24.635 1.00 0.32 H ATOM 199 2HH2 ARG 11 -2.203 -13.097 25.434 1.00 0.32 H ATOM 200 N ILE 12 -11.443 -14.233 24.626 1.00 -0.42 N ATOM 201 H ILE 12 -11.682 -13.797 23.748 1.00 0.27 H ATOM 202 CA ILE 12 -12.355 -13.998 25.750 1.00 -0.06 C ATOM 203 HA ILE 12 -12.063 -14.632 26.585 1.00 0.09 H ATOM 204 C ILE 12 -13.785 -14.378 25.360 1.00 0.60 C ATOM 205 O ILE 12 -14.731 -14.160 26.120 1.00 -0.57 O ATOM 206 CB ILE 12 -12.299 -12.510 26.227 1.00 0.13 C ATOM 207 HB ILE 12 -12.965 -12.405 27.084 1.00 0.02 H ATOM 208 CG1 ILE 12 -12.776 -11.547 25.119 1.00 -0.04 C ATOM 209 1HG1 ILE 12 -12.043 -11.554 24.318 1.00 0.02 H ATOM 210 2HG1 ILE 12 -13.719 -11.910 24.713 1.00 0.02 H ATOM 211 CG2 ILE 12 -10.856 -12.150 26.684 1.00 -0.32 C ATOM 212 1HG2 ILE 12 -10.487 -12.915 27.369 1.00 0.09 H ATOM 213 2HG2 ILE 12 -10.190 -12.091 25.820 1.00 0.09 H ATOM 214 3HG2 ILE 12 -10.856 -11.190 27.199 1.00 0.09 H ATOM 215 CD1 ILE 12 -12.993 -10.094 25.551 1.00 -0.07 C ATOM 216 1HD1 ILE 12 -13.375 -9.522 24.706 1.00 0.02 H ATOM 217 2HD1 ILE 12 -13.718 -10.056 26.365 1.00 0.02 H ATOM 218 3HD1 ILE 12 -12.052 -9.655 25.878 1.00 0.02 H ATOM 219 N LEU 13 -13.923 -14.913 24.155 1.00 -0.42 N ATOM 220 H LEU 13 -13.111 -15.117 23.580 1.00 0.27 H ATOM 221 CA LEU 13 -15.183 -15.297 23.535 1.00 -0.05 C ATOM 222 HA LEU 13 -15.890 -15.680 24.267 1.00 0.09 H ATOM 223 C LEU 13 -14.710 -16.405 22.606 1.00 0.60 C ATOM 224 O LEU 13 -15.466 -17.338 22.268 1.00 -0.57 O ATOM 225 OXT LEU 13 -13.506 -16.298 22.264 1.00 -0.57 O ATOM 226 CB LEU 13 -15.758 -14.112 22.745 1.00 -0.11 C ATOM 227 1HB LEU 13 -15.931 -13.298 23.445 1.00 0.05 H ATOM 228 2HB LEU 13 -14.988 -13.790 22.046 1.00 0.05 H ATOM 229 CG LEU 13 -17.041 -14.335 21.936 1.00 0.35 C ATOM 230 HG LEU 13 -16.868 -15.121 21.204 1.00 -0.04 H ATOM 231 CD1 LEU 13 -18.214 -14.745 22.822 1.00 -0.41 C ATOM 232 1HD1 LEU 13 -17.999 -15.720 23.262 1.00 0.10 H ATOM 233 2HD1 LEU 13 -18.359 -14.015 23.618 1.00 0.10 H ATOM 234 3HD1 LEU 13 -19.118 -14.829 22.223 1.00 0.10 H ATOM 235 CD2 LEU 13 -17.384 -13.049 21.186 1.00 -0.41 C ATOM 236 1HD2 LEU 13 -18.272 -13.211 20.577 1.00 0.10 H ATOM 237 2HD2 LEU 13 -17.565 -12.240 21.893 1.00 0.10 H ATOM 238 3HD2 LEU 13 -16.553 -12.784 20.532 1.00 0.10 H TER 239 LEU 13 END