This the results for all buried atoms, independenty on whether all the residue is buried or not. Results of of atom volumes from file st461000_23.8.res Reformated NewVolFromYH1.dat The standard volume of a water molecule is 30 cubic Angstroms. ------------------------------------------------------------------------------ atom Count Mean volume SD SD(%) Minimum Maximum GLY O 755 15.931 1.519 9.532 11.725 23.858 C 811 10.237 0.795 7.769 8.024 13.134 CA 522 23.450 2.084 8.889 19.214 30.884 N 818 14.708 1.268 8.624 11.851 20.027 Total 2906 64.327 2.982 4.636 ALA O 944 15.910 1.380 8.671 11.428 26.289 C 1126 9.378 0.594 6.331 8.168 11.610 CA 1027 14.124 1.164 8.244 11.241 18.650 N 1101 13.946 1.166 8.359 11.101 20.685 CB 638 36.554 2.869 7.847 29.724 46.436 Total 4836 89.913 3.633 4.041 VAL O 940 15.879 1.230 7.743 12.444 21.118 C 1147 9.060 0.627 6.915 7.740 11.326 CA 1053 13.170 0.962 7.308 10.932 17.179 N 1184 13.661 0.943 6.905 11.852 26.054 CB 1111 14.575 1.133 7.776 7.358 19.682 CG1 768 36.366 2.673 7.350 29.181 44.576 CG2 821 36.010 2.653 7.369 23.481 44.705 Total 7024 138.721 4.381 3.158 LEU O 925 15.805 1.417 8.967 12.217 21.855 C 1105 9.342 0.662 7.087 7.562 12.223 CA 1088 13.151 0.835 6.349 10.608 17.206 N 1143 13.676 1.044 7.632 11.203 19.795 CB 966 23.006 1.693 7.357 17.966 29.600 CG 1087 14.764 1.362 9.223 9.162 21.775 CD1 766 37.348 3.068 8.214 27.994 48.362 CD2 692 37.264 3.094 8.302 26.938 46.351 Total 7772 164.356 5.285 3.216 ILE O 734 15.743 1.308 8.308 12.705 23.035 C 836 8.991 0.612 6.806 7.668 11.525 CA 751 13.079 0.963 7.363 10.725 16.252 N 826 13.708 1.103 8.049 11.426 25.272 CB 808 14.228 1.017 7.145 11.509 18.548 CG1 660 24.269 2.028 8.354 19.519 31.566 CG2 581 35.971 2.846 7.911 26.709 45.436 CD1 534 37.931 3.340 8.805 27.055 50.368 Total 5730 163.921 5.350 3.264 PRO O 224 16.130 1.687 10.459 12.358 22.553 C 274 9.390 0.551 5.867 8.236 10.923 CA 272 13.898 1.030 7.413 11.627 18.261 N 334 8.617 0.612 7.103 7.267 10.452 CB 173 25.095 2.280 9.084 19.922 31.595 CG 172 26.206 2.389 9.116 20.372 32.507 CD 180 23.633 2.182 9.232 18.964 29.291 Total 1629 122.969 4.500 3.659 MET O 231 15.849 1.390 8.769 13.261 22.701 C 258 9.299 0.645 6.933 7.643 11.428 CA 232 13.312 1.036 7.782 11.643 16.958 N 263 13.603 0.971 7.140 10.595 16.722 CB 206 23.037 1.757 7.627 16.874 28.222 CG 203 23.581 1.627 6.898 19.828 28.652 SD 215 31.443 2.455 7.808 25.789 38.104 CE 163 36.284 3.495 9.631 27.330 45.138 Total 1771 166.408 5.323 3.199 PHE O 487 15.808 1.324 8.377 12.271 20.262 C 560 9.274 0.822 8.869 7.566 11.936 CA 505 13.378 0.954 7.129 11.359 17.038 N 576 13.677 1.130 8.261 11.480 20.806 CB 476 23.700 1.753 7.395 18.436 28.831 CG 631 10.246 0.660 6.437 8.834 12.833 CD1 503 20.576 1.669 8.111 15.971 25.757 CD2 481 21.025 1.761 8.375 15.885 27.565 CE1 449 21.579 1.836 8.507 17.455 31.060 CE2 423 21.870 2.045 9.352 16.895 28.789 CZ 429 21.909 1.975 9.016 17.660 28.888 Total 5520 193.041 5.046 2.614 TYR O 299 15.645 1.275 8.147 12.635 20.811 C 339 9.262 0.771 8.320 7.584 11.674 CA 315 13.271 0.903 6.806 11.605 16.337 N 369 13.633 1.043 7.648 11.518 18.155 CB 301 23.693 1.852 7.819 19.272 28.562 CG 389 10.198 0.659 6.466 8.840 12.648 CD1 281 20.417 1.680 8.228 15.874 25.249 CD2 300 20.604 1.869 9.069 16.411 26.238 CE1 243 20.694 1.920 9.279 10.060 27.173 CE2 234 20.749 1.805 8.697 17.102 26.567 CZ 321 10.430 0.713 6.833 8.579 12.315 OH 185 17.488 1.673 9.568 14.060 23.247 Total 3576 196.084 4.955 2.527 TRP O 164 15.505 1.308 8.437 10.911 18.722 C 187 9.242 0.740 8.005 7.545 11.477 CA 182 13.361 0.841 6.294 11.427 16.574 N 191 13.760 0.933 6.779 11.478 16.367 CB 155 23.618 1.910 8.086 18.572 28.009 CG 221 10.375 0.646 6.224 8.511 12.704 CD1 132 21.078 1.938 9.193 16.645 28.999 NE1 141 16.849 1.673 9.927 13.097 21.365 CD2 211 10.645 0.724 6.799 9.094 12.692 CE2 204 10.370 0.848 8.173 8.704 12.960 CE3 187 20.746 1.750 8.436 16.812 25.981 CZ3 165 21.630 1.863 8.614 16.552 27.965 CZ2 136 21.298 1.891 8.879 17.095 27.931 CH2 146 21.495 1.992 9.266 16.534 27.521 Total 2422 229.971 5.456 2.373 SER O 449 15.892 1.415 8.903 11.873 20.700 C 525 9.381 0.657 7.007 7.655 11.637 CA 440 13.668 1.091 7.985 11.154 17.362 N 516 14.198 1.083 7.629 11.812 18.975 CB 307 23.946 2.005 8.374 18.440 29.033 OG 342 17.203 1.687 9.805 12.501 24.658 Total 2579 94.287 3.415 3.622 THR O 430 15.892 1.480 9.312 12.600 22.329 C 500 9.222 0.632 6.855 7.663 12.384 CA 481 13.388 1.107 8.268 11.129 17.959 N 515 14.003 1.029 7.347 11.400 17.612 CB 405 14.714 1.250 8.494 11.295 20.299 OG1 324 17.135 1.945 11.349 13.717 24.593 CG2 310 35.799 2.945 8.227 25.788 47.199 Total 2965 120.152 4.346 3.617 ASN O 229 15.911 1.527 9.599 12.778 22.436 C 275 9.326 0.666 7.139 7.631 11.383 CA 257 13.209 0.863 6.532 11.433 16.461 N 297 13.987 1.203 8.600 11.216 19.976 CB 181 23.324 1.749 7.497 19.662 28.321 CG 246 10.155 0.738 7.271 8.443 13.624 OD1 177 16.741 2.065 12.336 12.999 26.713 ND2 131 23.352 2.521 10.796 17.563 29.654 Total 1793 126.005 4.381 3.477 GLN O 123 15.872 1.529 9.635 12.663 20.973 C 156 9.233 0.615 6.660 7.779 10.853 CA 152 13.365 1.048 7.840 11.298 16.322 N 181 13.719 1.017 7.414 10.910 17.129 CB 127 23.081 2.030 8.797 18.371 28.341 CG 113 23.534 1.774 7.536 20.285 30.350 CD 139 10.228 0.744 7.273 8.365 12.026 OE1 95 16.948 2.161 12.753 13.174 27.795 NE2 84 23.750 2.317 9.756 18.689 30.434 Total 1170 149.729 4.766 3.183 CYS O 106 15.998 1.437 8.981 13.410 19.896 C 111 9.219 0.566 6.140 8.165 10.993 CA 100 13.549 0.997 7.356 11.614 17.401 N 117 13.851 1.105 7.974 11.897 17.107 CB 69 23.218 1.430 6.157 18.949 27.298 SG 67 37.801 4.105 10.861 20.045 46.197 Total 570 113.635 4.847 4.266 CYS(SS) O 144 15.663 1.471 9.390 11.732 21.558 C 190 9.375 0.649 6.926 7.872 11.636 CA 186 13.133 0.944 7.190 11.386 15.631 N 189 13.664 1.131 8.275 9.608 19.506 CB 158 22.841 2.083 9.118 19.036 29.914 SG 160 28.753 2.532 8.806 23.533 35.571 Total 1027 103.429 3.937 3.807 HIS O 170 15.541 1.176 7.565 13.213 19.782 C 204 9.231 0.688 7.455 8.023 11.742 CA 168 13.411 0.994 7.414 11.226 15.812 N 189 13.795 1.040 7.539 11.012 17.086 CB 156 23.799 2.062 8.664 19.799 29.012 CG 206 10.398 0.723 6.954 8.833 13.204 ND1 172 14.191 1.508 10.628 11.279 19.538 CD2 129 21.090 2.139 10.140 16.349 25.700 CE1 95 20.504 2.161 10.538 16.644 27.472 NE2 115 16.381 1.682 10.268 12.632 21.183 Total 1604 158.341 4.801 3.032 GLU O 155 15.739 1.295 8.226 12.726 19.925 C 196 9.236 0.615 6.655 7.869 11.224 CA 154 13.452 1.100 8.179 11.382 17.693 N 191 13.925 1.106 7.945 11.537 18.919 CB 136 23.273 1.911 8.213 18.707 27.933 CG 107 23.665 2.299 9.715 18.538 31.340 CD 120 9.943 0.721 7.256 8.201 11.667 OE1 101 15.988 2.070 12.950 11.830 23.875 OE2 91 16.371 1.976 12.071 12.506 21.830 Total 1251 141.591 4.705 3.323 ASP O 253 15.733 1.390 8.834 12.806 21.702 C 316 9.340 0.694 7.435 7.777 11.724 CA 281 13.279 0.961 7.240 11.136 16.759 N 314 14.120 1.225 8.675 11.637 21.995 CB 219 23.682 1.925 8.129 19.650 30.351 CG 206 10.064 0.768 7.633 8.398 12.524 OD1 173 15.940 1.769 11.100 12.942 22.438 OD2 152 15.760 1.874 11.892 12.831 24.038 Total 1914 117.917 3.972 3.369 ARG O 137 15.671 1.487 9.488 13.036 22.039 C 154 9.259 0.637 6.875 8.036 10.860 CA 147 13.425 1.098 8.181 10.859 16.717 N 160 13.628 0.910 6.674 11.604 16.477 CB 117 22.917 1.859 8.111 18.523 27.930 CG 101 23.455 2.244 9.568 18.456 28.742 CD 98 23.177 2.237 9.650 17.971 31.708 NE 102 15.591 1.378 8.836 12.106 20.537 CZ 132 10.081 0.730 7.237 8.350 12.036 NH1 79 22.631 1.708 7.547 18.665 28.285 NH2 61 23.903 2.207 9.235 19.872 32.237 Total 1288 193.738 5.326 2.749 LYS O 76 16.148 1.453 8.996 13.038 21.282 C 92 9.296 0.627 6.747 7.824 11.466 CA 81 13.364 0.937 7.014 10.887 16.585 N 91 13.695 1.141 8.334 11.294 17.922 CB 63 23.458 2.102 8.961 19.488 27.871 CG 64 23.720 1.999 8.426 20.196 28.171 CD 50 24.541 1.885 7.683 21.414 29.651 CE 27 24.510 2.010 8.202 21.027 28.114 NZ 31 19.976 1.562 7.818 17.521 25.004 Total 575 168.708 4.810 2.851 HOH O 10000 30.0 OW 10000 30.0