# BL- Volume set # from # J Tsai, R Taylor, C Chothia & M Gerstein (1999). # "The Packing Density in Proteins: Standard Radii and # Volumes," J. Mol. Biol. 290: 253-266. # # # from the file tab-8_new-SCOP1.75pdb-ouputs/TS5H-ws.a-vols # ================== # atom's volumes :: for residue file TS5H.rd # # MBG, 1999,08.15 # atom Count Mean volume SD SD() Minimum Maximum GLY O 491 16.391 1.639 9.999 12.361 24.851 C 723 9.840 0.845 8.584 7.627 13.500 CA 300 23.688 2.031 8.576 19.386 29.637 N 615 14.854 1.495 10.064 11.026 22.802 Total 2129 64.773 3.124 4.823 ALA O 637 16.188 1.418 8.760 11.753 24.222 C 1097 8.900 0.560 6.289 7.828 11.477 CA 706 14.063 1.169 8.313 11.108 18.123 N 808 14.046 1.177 8.378 11.564 20.185 CB 421 36.782 2.848 7.743 29.197 46.123 Total 3669 89.980 3.632 4.036 VAL O 640 16.181 1.343 8.302 13.266 22.809 C 1040 8.563 0.582 6.794 7.148 10.979 CA 791 13.123 0.973 7.416 10.791 17.340 N 882 13.676 0.950 6.943 11.340 19.407 CB 797 14.598 1.525 10.445 2.247 19.186 CG1 491 36.584 2.978 8.140 16.906 46.985 CG2 531 36.332 2.921 8.041 20.029 45.018 Total 5172 139.057 4.870 3.502 LEU O 739 16.208 1.502 9.269 12.950 23.723 C 1059 8.825 0.609 6.903 7.153 11.923 CA 919 13.122 0.862 6.566 10.522 15.954 N 999 13.655 1.061 7.767 10.692 19.809 CB 712 22.951 2.209 9.625 4.902 29.315 CG 931 14.764 1.280 8.671 4.515 19.817 CD1 590 37.425 3.317 8.863 19.102 49.963 CD2 530 37.143 3.539 9.529 10.739 48.835 Total 6479 164.093 5.877 3.582 ILE O 513 16.144 1.496 9.267 12.369 25.668 C 794 8.470 0.556 6.562 6.985 10.674 CA 629 13.007 1.018 7.825 10.734 16.371 N 696 13.633 1.069 7.838 9.891 20.235 CB 635 14.227 1.173 8.247 3.279 18.783 CG1 524 24.187 1.889 7.808 19.425 30.851 CG2 403 35.961 3.216 8.942 7.616 44.492 CD1 388 38.377 3.127 8.147 30.167 50.127 Total 4582 164.006 5.458 3.328 PRO O 243 16.169 1.649 10.198 12.756 22.843 C 567 8.812 0.465 5.276 7.749 10.487 CA 327 13.955 1.123 8.049 10.897 19.905 N 592 8.823 0.662 7.504 7.195 11.255 CB 138 25.563 2.071 8.101 20.702 31.594 CG 124 25.832 2.014 7.797 21.639 32.448 CD 158 23.836 1.843 7.730 19.727 31.091 Total 2149 122.991 4.047 3.290 MET O 182 16.277 1.680 10.319 12.866 23.247 C 261 8.782 0.598 6.805 7.648 10.773 CA 220 13.231 1.046 7.908 10.697 18.186 N 234 13.564 1.131 8.339 11.150 19.630 CB 178 23.645 1.825 7.717 18.912 28.665 CG 173 24.009 1.865 7.767 19.002 28.746 SD 172 30.093 2.761 9.176 19.460 36.959 CE 121 37.161 3.707 9.977 25.817 51.247 Total 1541 166.763 5.808 3.483 PHE O 416 16.151 1.399 8.661 12.657 23.056 C 592 8.753 0.696 7.956 7.312 11.301 CA 455 13.449 1.007 7.489 11.396 16.507 N 526 13.691 1.122 8.194 11.156 21.009 CB 382 23.777 1.874 7.880 18.782 30.259 CG 632 9.721 0.688 7.080 8.137 14.228 CD1 429 20.405 1.725 8.452 16.120 26.870 CD2 433 21.051 1.693 8.040 17.430 27.179 CE1 393 21.580 1.883 8.726 16.182 28.524 CE2 392 21.680 1.798 8.292 17.212 28.819 CZ 391 21.666 1.951 9.003 16.959 28.882 Total 5041 191.924 5.012 2.611 TYR O 350 16.124 1.395 8.654 12.315 23.507 C 525 8.770 0.692 7.892 7.344 11.115 CA 409 13.330 0.996 7.471 10.950 16.972 N 456 13.691 1.233 9.004 11.203 21.097 CB 333 23.678 2.182 9.217 2.884 29.429 CG 536 9.732 0.658 6.762 8.256 14.041 CD1 341 20.171 1.715 8.500 16.520 25.352 CD2 329 20.728 1.648 7.949 16.348 26.402 CE1 235 20.675 1.911 9.241 10.271 30.679 CE2 232 20.810 1.783 8.569 16.851 26.511 CZ 423 9.926 0.707 7.127 7.999 12.336 OH 125 19.173 2.525 13.169 11.320 26.501 Total 4294 196.809 5.431 2.759 TRP O 162 15.951 1.404 8.803 13.432 20.384 C 226 8.724 0.700 8.022 7.512 10.934 CA 173 13.377 0.942 7.045 11.370 17.390 N 190 13.791 1.055 7.651 11.243 18.625 CB 152 24.004 2.028 8.449 13.031 28.339 CG 231 9.965 0.707 7.091 8.503 12.264 CD1 126 20.874 2.186 10.474 10.214 27.057 NE1 127 16.969 1.691 9.965 13.008 24.394 CD2 215 10.097 0.719 7.124 8.550 12.635 CE2 211 9.889 0.776 7.849 8.033 12.266 CE3 180 20.448 1.989 9.725 11.543 25.739 CZ3 150 21.516 1.785 8.294 17.801 26.278 CZ2 113 21.012 2.172 10.335 9.889 27.810 CH2 129 21.339 1.892 8.867 18.018 26.508 Total 2385 227.958 5.768 2.530 SER O 484 16.179 1.626 10.050 6.695 23.064 C 838 8.923 0.621 6.959 3.793 11.229 CA 503 13.476 1.189 8.826 3.254 17.639 N 607 14.103 1.269 8.997 3.939 20.302 CB 241 23.884 2.924 12.241 4.028 30.962 OG 270 18.732 2.480 13.239 11.301 27.043 Total 2943 95.297 4.556 4.780 THR O 473 16.020 1.521 9.492 11.659 22.804 C 892 8.738 0.624 7.146 6.970 11.436 CA 564 13.099 0.954 7.281 11.218 16.446 N 706 13.832 1.129 8.165 11.081 21.357 CB 349 14.829 1.301 8.771 9.862 20.415 OG1 224 18.123 2.256 12.449 11.561 24.640 CG2 195 36.542 3.177 8.694 24.920 46.100 Total 3403 121.183 4.665 3.849 ASN O 293 16.199 1.468 9.064 12.907 21.863 C 586 8.928 0.664 7.435 7.385 11.178 CA 359 13.167 0.891 6.769 9.973 17.336 N 574 13.695 1.169 8.538 10.868 19.301 CB 171 23.128 2.996 12.954 4.968 31.938 CG 322 9.599 0.814 8.485 4.363 11.975 OD1 166 16.664 2.159 12.957 10.481 24.079 ND2 94 23.083 2.826 12.242 13.463 30.002 Total 2565 124.461 5.200 4.178 GLN O 236 15.993 1.516 9.480 11.827 22.981 C 437 8.787 0.626 7.120 7.473 11.668 CA 286 13.334 1.012 7.587 10.590 16.510 N 408 13.616 1.183 8.690 11.173 20.583 CB 149 23.275 1.876 8.062 19.186 29.057 CG 142 23.465 1.720 7.328 19.451 27.409 CD 193 9.659 0.700 7.250 8.129 12.136 OE1 88 17.091 1.911 11.178 12.314 24.369 NE2 63 24.150 3.129 12.958 16.772 31.274 Total 2002 149.371 5.052 3.382 CYS O 72 16.543 1.457 8.806 13.680 20.635 C 99 8.897 0.657 7.389 7.648 11.142 CA 81 13.656 1.169 8.559 11.914 16.720 N 95 13.981 1.168 8.356 11.957 19.369 CB 70 23.536 2.764 11.746 10.577 28.202 SG 63 34.603 5.682 16.420 22.869 46.344 Total 480 111.216 6.724 6.046 CSS O 88 16.185 1.402 8.662 13.462 20.836 C 149 8.834 0.654 7.408 7.538 10.418 CA 135 13.154 0.914 6.948 9.753 15.470 N 125 13.788 0.969 7.028 12.159 18.363 CB 86 23.588 2.104 8.919 19.593 30.500 SG 107 27.654 2.139 7.736 22.692 34.664 Total 690 103.203 3.629 3.517 HIS O 172 16.082 1.437 8.934 12.442 20.626 C 283 8.882 0.701 7.888 7.122 11.349 CA 179 13.467 1.150 8.542 11.630 17.928 N 246 13.715 1.269 9.254 11.457 21.145 CB 138 23.653 2.007 8.485 19.684 29.576 CG 229 9.952 0.724 7.278 8.686 12.413 ND1 130 15.506 2.258 14.565 9.199 22.550 CD2 122 21.085 1.839 8.723 16.895 27.244 CE1 72 20.636 1.889 9.154 16.288 26.861 NE2 92 15.337 2.819 18.378 9.228 22.354 Total 1663 158.315 5.481 3.462 GLU O 288 16.023 1.507 9.402 12.513 21.655 C 633 8.675 0.553 6.371 7.417 10.752 CA 356 13.399 0.977 7.291 11.144 17.168 N 528 13.615 1.093 8.025 10.838 18.603 CB 165 23.529 1.772 7.530 19.259 28.227 CG 128 23.513 2.751 11.698 3.556 28.818 CD 165 9.460 0.753 7.963 5.524 11.327 OE1 82 15.999 1.918 11.988 9.874 21.130 OE2 63 17.432 2.990 17.149 12.234 25.573 Total 2408 141.646 5.349 3.776 ASP O 376 16.091 1.511 9.392 11.100 22.308 C 747 8.816 0.626 7.102 6.632 11.198 CA 398 13.377 1.060 7.921 11.092 17.720 N 599 13.895 1.154 8.303 11.073 19.011 CB 156 23.481 2.347 9.994 9.509 29.304 CG 306 9.422 0.898 9.530 2.607 11.340 OD1 230 15.505 2.185 14.093 10.713 24.451 OD2 112 16.324 2.773 16.988 9.288 24.519 Total 2924 116.912 4.890 4.182 ARG O 322 16.084 1.292 8.030 12.805 21.573 C 550 8.838 0.669 7.569 3.431 11.158 CA 393 13.422 1.049 7.815 11.125 16.716 N 470 13.650 1.129 8.273 10.623 19.066 CB 212 23.088 1.790 7.754 18.447 27.809 CG 207 23.640 2.265 9.580 7.492 29.568 CD 137 23.300 1.869 8.022 19.127 29.180 NE 151 15.569 1.752 11.256 11.909 21.578 CZ 231 9.747 0.763 7.831 8.335 12.417 NH1 75 22.782 2.196 9.638 17.975 29.481 NH2 54 23.810 2.652 11.137 19.692 32.361 Total 2802 193.931 5.641 2.909 LYS O 345 16.049 1.445 9.004 12.554 24.009 C 719 8.759 0.655 7.480 7.127 13.682 CA 376 13.324 0.946 7.098 10.990 16.590 N 585 13.675 1.239 9.061 10.059 19.076 CB 174 22.904 3.350 14.624 3.889 28.192 CG 158 23.131 3.351 14.488 2.895 28.765 CD 74 23.837 3.922 16.453 2.982 31.270 CE 22 23.934 2.114 8.834 19.103 27.148 NZ 12 21.213 1.770 8.344 18.211 24.935 Total 2465 166.827 7.098 4.255