Back to Resultset

ID	1697	NAME	Circulin-F   Blast NCBI-PROT
LENGTH	29	DISULFIDE BRIDGE			View PDB 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\pdb_HM_final\AIPCGESCVWIPCISAAIGCSCKNKVCYR.pdb REMARK YASARA Written on: Wed May 14 14:01:14 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 418 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA COMPND MOL_ID: 1; COMPND 2 MOLECULE: CIRCULIN B; COMPND 3 CHAIN: A; SEQRES 1 A 29 ALA ILE PRO CYS GLY GLU SER CYS VAL TRP ILE PRO CYS SEQRES 2 A 29 ILE SER ALA ALA ILE GLY CYS SER CYS LYS ASN LYS VAL SEQRES 3 A 29 CYS TYR ARG CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 SSBOND 1 CYS A 4 CYS A 20 2.02 SSBOND 3 CYS A 8 CYS A 22 2.03 SSBOND 5 CYS A 13 CYS A 27 2.03 ATOM 1 N ALA A 1 -10.484 -32.641 -12.393 1.00-14.13 N ATOM 2 1H ALA A 1 -10.536 -31.934 -11.675 1.00-14.13 H ATOM 3 2H ALA A 1 -9.861 -33.378 -12.081 1.00-14.13 H ATOM 4 3H ALA A 1 -11.402 -33.027 -12.558 1.00-14.13 H ATOM 5 CA ALA A 1 -9.958 -32.043 -13.648 1.00-14.13 C ATOM 6 HA ALA A 1 -10.629 -31.238 -13.944 1.00-14.13 H ATOM 7 C ALA A 1 -9.964 -33.069 -14.776 1.00-14.13 C ATOM 8 O ALA A 1 -10.818 -32.993 -15.647 1.00-14.13 O ATOM 9 CB ALA A 1 -8.542 -31.438 -13.440 1.00-14.13 C ATOM 10 1HB ALA A 1 -8.589 -30.622 -12.717 1.00-14.13 H ATOM 11 2HB ALA A 1 -8.168 -31.046 -14.388 1.00-14.13 H ATOM 12 3HB ALA A 1 -7.848 -32.196 -13.071 1.00-14.13 H ATOM 13 N ILE A 2 -9.028 -34.006 -14.793 1.00 -0.27 N ATOM 14 H ILE A 2 -8.393 -34.114 -13.996 1.00 -0.27 H ATOM 15 CA ILE A 2 -8.885 -34.932 -15.918 1.00 -0.27 C ATOM 16 HA ILE A 2 -9.074 -34.390 -16.842 1.00 -0.27 H ATOM 17 C ILE A 2 -9.913 -36.053 -15.729 1.00 -0.27 C ATOM 18 O ILE A 2 -9.894 -36.711 -14.682 1.00 -0.27 O ATOM 19 CB ILE A 2 -7.449 -35.540 -15.980 1.00 -0.27 C ATOM 20 HB ILE A 2 -7.283 -36.120 -15.076 1.00 -0.27 H ATOM 21 CG1 ILE A 2 -6.390 -34.416 -16.031 1.00 -0.27 C ATOM 22 1HG1 ILE A 2 -6.482 -33.896 -16.984 1.00 -0.27 H ATOM 23 2HG1 ILE A 2 -6.587 -33.697 -15.238 1.00 -0.27 H ATOM 24 CG2 ILE A 2 -7.301 -36.482 -17.204 1.00 -0.27 C ATOM 25 1HG2 ILE A 2 -6.311 -36.935 -17.221 1.00 -0.27 H ATOM 26 2HG2 ILE A 2 -7.453 -35.927 -18.131 1.00 -0.27 H ATOM 27 3HG2 ILE A 2 -8.031 -37.289 -17.152 1.00 -0.27 H ATOM 28 CD1 ILE A 2 -4.932 -34.873 -15.861 1.00 -0.27 C ATOM 29 1HD1 ILE A 2 -4.285 -33.996 -15.810 1.00 -0.27 H ATOM 30 2HD1 ILE A 2 -4.622 -35.483 -16.709 1.00 -0.27 H ATOM 31 3HD1 ILE A 2 -4.825 -35.445 -14.938 1.00 -0.27 H ATOM 32 N PRO A 3 -10.835 -36.265 -16.690 1.00 -6.49 N ATOM 33 CA PRO A 3 -11.770 -37.382 -16.489 1.00 -6.49 C ATOM 34 HA PRO A 3 -12.324 -37.261 -15.560 1.00 -6.49 H ATOM 35 C PRO A 3 -11.058 -38.727 -16.529 1.00 -6.49 C ATOM 36 O PRO A 3 -10.028 -38.862 -17.186 1.00 -6.49 O ATOM 37 CB PRO A 3 -12.706 -37.283 -17.700 1.00 -6.49 C ATOM 38 1HB PRO A 3 -12.381 -37.978 -18.474 1.00 -6.49 H ATOM 39 2HB PRO A 3 -13.738 -37.487 -17.413 1.00 -6.49 H ATOM 40 CG PRO A 3 -12.555 -35.892 -18.188 1.00 -6.49 C ATOM 41 1HG PRO A 3 -12.823 -35.815 -19.242 1.00 -6.49 H ATOM 42 2HG PRO A 3 -13.165 -35.219 -17.590 1.00 -6.49 H ATOM 43 CD PRO A 3 -11.104 -35.594 -17.976 1.00 -6.49 C ATOM 44 1HD PRO A 3 -10.497 -36.034 -18.769 1.00 -6.49 H ATOM 45 2HD PRO A 3 -10.943 -34.518 -17.909 1.00 -6.49 H ATOM 46 N CYS A 4 -11.613 -39.732 -15.871 1.00 -0.13 N ATOM 47 H CYS A 4 -12.451 -39.571 -15.308 1.00 -0.13 H ATOM 48 CA CYS A 4 -11.015 -41.065 -15.871 1.00 -0.13 C ATOM 49 HA CYS A 4 -10.025 -41.013 -16.321 1.00 -0.13 H ATOM 50 C CYS A 4 -11.812 -42.095 -16.662 1.00 -0.13 C ATOM 51 O CYS A 4 -11.528 -43.285 -16.595 1.00 -0.13 O ATOM 52 CB CYS A 4 -10.834 -41.529 -14.432 1.00 -0.13 C ATOM 53 1HB CYS A 4 -11.804 -41.565 -13.936 1.00 -0.13 H ATOM 54 2HB CYS A 4 -10.405 -42.532 -14.437 1.00 -0.13 H ATOM 55 SG CYS A 4 -9.723 -40.414 -13.516 1.00 -0.13 S ATOM 56 N GLY A 5 -12.838 -41.649 -17.372 1.00 2.51 N ATOM 57 H GLY A 5 -13.066 -40.670 -17.344 1.00 2.51 H ATOM 58 CA GLY A 5 -13.663 -42.530 -18.194 1.00 2.51 C ATOM 59 1HA GLY A 5 -14.168 -41.929 -18.949 1.00 2.51 H ATOM 60 2HA GLY A 5 -13.021 -43.250 -18.702 1.00 2.51 H ATOM 61 C GLY A 5 -14.721 -43.299 -17.424 1.00 2.51 C ATOM 62 O GLY A 5 -15.822 -43.533 -17.915 1.00 2.51 O ATOM 63 N GLU A 6 -14.407 -43.647 -16.188 1.00 -8.68 N ATOM 64 H GLU A 6 -13.461 -43.502 -15.865 1.00 -8.68 H ATOM 65 CA GLU A 6 -15.391 -44.191 -15.265 1.00 -8.68 C ATOM 66 HA GLU A 6 -15.903 -45.039 -15.718 1.00 -8.68 H ATOM 67 C GLU A 6 -16.389 -43.080 -14.955 1.00 -8.68 C ATOM 68 O GLU A 6 -16.015 -41.911 -14.817 1.00 -8.68 O ATOM 69 CB GLU A 6 -14.720 -44.608 -13.956 1.00 -8.68 C ATOM 70 1HB GLU A 6 -14.178 -43.745 -13.579 1.00 -8.68 H ATOM 71 2HB GLU A 6 -15.499 -44.873 -13.241 1.00 -8.68 H ATOM 72 CG GLU A 6 -13.744 -45.763 -14.049 1.00 -8.68 C ATOM 73 1HG GLU A 6 -14.274 -46.644 -14.415 1.00 -8.68 H ATOM 74 2HG GLU A 6 -12.954 -45.508 -14.757 1.00 -8.68 H ATOM 75 CD GLU A 6 -13.109 -46.077 -12.702 1.00 -8.68 C ATOM 76 OE1 GLU A 6 -13.282 -45.312 -11.729 1.00 -8.68 O ATOM 77 OE2 GLU A 6 -12.398 -47.089 -12.588 1.00 -8.68 O ATOM 78 N SER A 7 -17.651 -43.444 -14.790 1.00 10.88 N ATOM 79 H SER A 7 -17.925 -44.403 -14.928 1.00 10.88 H ATOM 80 CA SER A 7 -18.673 -42.486 -14.389 1.00 10.88 C ATOM 81 HA SER A 7 -18.190 -41.592 -14.018 1.00 10.88 H ATOM 82 C SER A 7 -19.497 -43.071 -13.261 1.00 10.88 C ATOM 83 O SER A 7 -20.239 -44.035 -13.448 1.00 10.88 O ATOM 84 CB SER A 7 -19.562 -42.099 -15.571 1.00 10.88 C ATOM 85 1HB SER A 7 -20.042 -42.993 -15.970 1.00 10.88 H ATOM 86 2HB SER A 7 -20.326 -41.400 -15.231 1.00 10.88 H ATOM 87 OG SER A 7 -18.789 -41.481 -16.586 1.00 10.88 O ATOM 88 HG SER A 7 -19.325 -41.392 -17.378 1.00 10.88 H ATOM 89 N CYS A 8 -19.363 -42.475 -12.086 1.00 27.59 N ATOM 90 H CYS A 8 -18.746 -41.682 -12.019 1.00 27.59 H ATOM 91 CA CYS A 8 -20.054 -42.884 -10.864 1.00 27.59 C ATOM 92 HA CYS A 8 -19.968 -43.965 -10.773 1.00 27.59 H ATOM 93 C CYS A 8 -21.553 -42.547 -10.835 1.00 27.59 C ATOM 94 O CYS A 8 -22.112 -42.128 -9.815 1.00 27.59 O ATOM 95 CB CYS A 8 -19.331 -42.253 -9.672 1.00 27.59 C ATOM 96 1HB CYS A 8 -19.974 -42.277 -8.792 1.00 27.59 H ATOM 97 2HB CYS A 8 -18.449 -42.853 -9.454 1.00 27.59 H ATOM 98 SG CYS A 8 -18.794 -40.549 -10.013 1.00 27.59 S ATOM 99 N VAL A 9 -22.229 -42.745 -11.957 1.00 4.67 N ATOM 100 H VAL A 9 -21.726 -43.055 -12.784 1.00 4.67 H ATOM 101 CA VAL A 9 -23.671 -42.559 -12.030 1.00 4.67 C ATOM 102 HA VAL A 9 -23.916 -41.617 -11.556 1.00 4.67 H ATOM 103 C VAL A 9 -24.309 -43.699 -11.244 1.00 4.67 C ATOM 104 O VAL A 9 -25.208 -43.472 -10.437 1.00 4.67 O ATOM 105 CB VAL A 9 -24.201 -42.539 -13.493 1.00 4.67 C ATOM 106 HB VAL A 9 -24.058 -43.526 -13.930 1.00 4.67 H ATOM 107 CG1 VAL A 9 -25.691 -42.180 -13.530 1.00 4.67 C ATOM 108 1HG1 VAL A 9 -26.058 -42.239 -14.555 1.00 4.67 H ATOM 109 2HG1 VAL A 9 -25.850 -41.170 -13.152 1.00 4.67 H ATOM 110 3HG1 VAL A 9 -26.264 -42.880 -12.921 1.00 4.67 H ATOM 111 CG2 VAL A 9 -23.427 -41.526 -14.347 1.00 4.67 C ATOM 112 1HG2 VAL A 9 -23.830 -41.512 -15.360 1.00 4.67 H ATOM 113 2HG2 VAL A 9 -22.377 -41.801 -14.405 1.00 4.67 H ATOM 114 3HG2 VAL A 9 -23.505 -40.525 -13.922 1.00 4.67 H ATOM 115 N TRP A 10 -23.785 -44.903 -11.441 1.00-17.52 N ATOM 116 H TRP A 10 -23.044 -45.010 -12.115 1.00-17.52 H ATOM 117 CA TRP A 10 -24.301 -46.103 -10.777 1.00-17.52 C ATOM 118 HA TRP A 10 -25.085 -45.815 -10.077 1.00-17.52 H ATOM 119 C TRP A 10 -23.264 -46.918 -10.005 1.00-17.52 C ATOM 120 O TRP A 10 -23.604 -47.912 -9.376 1.00-17.52 O ATOM 121 CB TRP A 10 -24.924 -47.030 -11.825 1.00-17.52 C ATOM 122 1HB TRP A 10 -24.124 -47.506 -12.393 1.00-17.52 H ATOM 123 2HB TRP A 10 -25.486 -47.809 -11.309 1.00-17.52 H ATOM 124 CG TRP A 10 -25.838 -46.334 -12.794 1.00-17.52 C ATOM 125 CD1 TRP A 10 -25.647 -46.179 -14.132 1.00-17.52 C ATOM 126 HD1 TRP A 10 -24.780 -46.546 -14.665 1.00-17.52 H ATOM 127 CD2 TRP A 10 -27.106 -45.709 -12.514 1.00-17.52 C ATOM 128 NE1 TRP A 10 -26.694 -45.521 -14.716 1.00-17.52 N ATOM 129 HE1 TRP A 10 -26.763 -45.315 -15.702 1.00-17.52 H ATOM 130 CE2 TRP A 10 -27.612 -45.212 -13.751 1.00-17.52 C ATOM 131 CE3 TRP A 10 -27.862 -45.504 -11.341 1.00-17.52 C ATOM 132 HE3 TRP A 10 -27.504 -45.869 -10.391 1.00-17.52 H ATOM 133 CZ2 TRP A 10 -28.836 -44.516 -13.841 1.00-17.52 C ATOM 134 HZ2 TRP A 10 -29.194 -44.145 -14.789 1.00-17.52 H ATOM 135 CZ3 TRP A 10 -29.096 -44.805 -11.427 1.00-17.52 C ATOM 136 HZ3 TRP A 10 -29.686 -44.647 -10.536 1.00-17.52 H ATOM 137 CH2 TRP A 10 -29.567 -44.321 -12.682 1.00-17.52 C ATOM 138 HH2 TRP A 10 -30.511 -43.796 -12.730 1.00-17.52 H ATOM 139 N ILE A 11 -21.997 -46.537 -10.097 1.00 2.42 N ATOM 140 H ILE A 11 -21.759 -45.674 -10.548 1.00 2.42 H ATOM 141 CA ILE A 11 -20.897 -47.351 -9.566 1.00 2.42 C ATOM 142 HA ILE A 11 -21.315 -48.179 -8.997 1.00 2.42 H ATOM 143 C ILE A 11 -20.008 -46.537 -8.625 1.00 2.42 C ATOM 144 O ILE A 11 -19.989 -45.305 -8.705 1.00 2.42 O ATOM 145 CB ILE A 11 -20.032 -47.951 -10.727 1.00 2.42 C ATOM 146 HB ILE A 11 -19.223 -48.529 -10.279 1.00 2.42 H ATOM 147 CG1 ILE A 11 -19.410 -46.837 -11.599 1.00 2.42 C ATOM 148 1HG1 ILE A 11 -20.202 -46.361 -12.174 1.00 2.42 H ATOM 149 2HG1 ILE A 11 -18.966 -46.086 -10.950 1.00 2.42 H ATOM 150 CG2 ILE A 11 -20.889 -48.914 -11.588 1.00 2.42 C ATOM 151 1HG2 ILE A 11 -20.249 -49.465 -12.277 1.00 2.42 H ATOM 152 2HG2 ILE A 11 -21.636 -48.360 -12.158 1.00 2.42 H ATOM 153 3HG2 ILE A 11 -21.399 -49.632 -10.943 1.00 2.42 H ATOM 154 CD1 ILE A 11 -18.313 -47.290 -12.570 1.00 2.42 C ATOM 155 1HD1 ILE A 11 -17.900 -46.418 -13.075 1.00 2.42 H ATOM 156 2HD1 ILE A 11 -18.723 -47.971 -13.315 1.00 2.42 H ATOM 157 3HD1 ILE A 11 -17.514 -47.788 -12.017 1.00 2.42 H ATOM 158 N PRO A 12 -19.270 -47.195 -7.714 1.00 -0.60 N ATOM 159 CA PRO A 12 -18.098 -46.487 -7.184 1.00 -0.60 C ATOM 160 HA PRO A 12 -18.393 -45.553 -6.708 1.00 -0.60 H ATOM 161 C PRO A 12 -17.051 -46.252 -8.269 1.00 -0.60 C ATOM 162 O PRO A 12 -16.954 -47.023 -9.218 1.00 -0.60 O ATOM 163 CB PRO A 12 -17.532 -47.475 -6.155 1.00 -0.60 C ATOM 164 1HB PRO A 12 -16.725 -48.055 -6.604 1.00 -0.60 H ATOM 165 2HB PRO A 12 -17.177 -46.953 -5.266 1.00 -0.60 H ATOM 166 CG PRO A 12 -18.674 -48.375 -5.824 1.00 -0.60 C ATOM 167 1HG PRO A 12 -18.322 -49.329 -5.431 1.00 -0.60 H ATOM 168 2HG PRO A 12 -19.343 -47.886 -5.115 1.00 -0.60 H ATOM 169 CD PRO A 12 -19.359 -48.553 -7.147 1.00 -0.60 C ATOM 170 1HD PRO A 12 -18.820 -49.266 -7.773 1.00 -0.60 H ATOM 171 2HD PRO A 12 -20.397 -48.857 -7.004 1.00 -0.60 H ATOM 172 N CYS A 13 -16.217 -45.237 -8.109 1.00 0.28 N ATOM 173 H CYS A 13 -16.319 -44.605 -7.335 1.00 0.28 H ATOM 174 CA CYS A 13 -15.066 -45.082 -8.992 1.00 0.28 C ATOM 175 HA CYS A 13 -15.347 -45.301 -10.023 1.00 0.28 H ATOM 176 C CYS A 13 -14.004 -46.072 -8.520 1.00 0.28 C ATOM 177 O CYS A 13 -13.523 -45.954 -7.393 1.00 0.28 O ATOM 178 CB CYS A 13 -14.499 -43.667 -8.895 1.00 0.28 C ATOM 179 1HB CYS A 13 -14.152 -43.505 -7.878 1.00 0.28 H ATOM 180 2HB CYS A 13 -13.639 -43.589 -9.563 1.00 0.28 H ATOM 181 SG CYS A 13 -15.680 -42.348 -9.305 1.00 0.28 S ATOM 182 N ILE A 14 -13.637 -47.044 -9.338 1.00-25.94 N ATOM 183 H ILE A 14 -14.029 -47.084 -10.272 1.00-25.94 H ATOM 184 CA ILE A 14 -12.653 -48.053 -8.939 1.00-25.94 C ATOM 185 HA ILE A 14 -12.855 -48.373 -7.917 1.00-25.94 H ATOM 186 C ILE A 14 -11.293 -47.358 -8.986 1.00-25.94 C ATOM 187 O ILE A 14 -10.438 -47.512 -8.108 1.00-25.94 O ATOM 188 CB ILE A 14 -12.694 -49.295 -9.882 1.00-25.94 C ATOM 189 HB ILE A 14 -12.482 -48.967 -10.897 1.00-25.94 H ATOM 190 CG1 ILE A 14 -14.107 -49.919 -9.864 1.00-25.94 C ATOM 191 1HG1 ILE A 14 -14.283 -50.353 -8.879 1.00-25.94 H ATOM 192 2HG1 ILE A 14 -14.849 -49.138 -10.021 1.00-25.94 H ATOM 193 CG2 ILE A 14 -11.622 -50.338 -9.469 1.00-25.94 C ATOM 194 1HG2 ILE A 14 -11.622 -51.175 -10.167 1.00-25.94 H ATOM 195 2HG2 ILE A 14 -11.819 -50.705 -8.461 1.00-25.94 H ATOM 196 3HG2 ILE A 14 -10.630 -49.884 -9.494 1.00-25.94 H ATOM 197 CD1 ILE A 14 -14.365 -50.997 -10.927 1.00-25.94 C ATOM 198 1HD1 ILE A 14 -15.414 -51.293 -10.891 1.00-25.94 H ATOM 199 2HD1 ILE A 14 -13.746 -51.874 -10.738 1.00-25.94 H ATOM 200 3HD1 ILE A 14 -14.142 -50.599 -11.919 1.00-25.94 H ATOM 201 N SER A 15 -11.137 -46.484 -9.968 1.00 12.15 N ATOM 202 H SER A 15 -11.888 -46.359 -10.656 1.00 12.15 H ATOM 203 CA SER A 15 -9.921 -45.697 -10.131 1.00 12.15 C ATOM 204 HA SER A 15 -9.068 -46.356 -9.971 1.00 12.15 H ATOM 205 C SER A 15 -9.801 -44.546 -9.137 1.00 12.15 C ATOM 206 O SER A 15 -8.883 -43.734 -9.250 1.00 12.15 O ATOM 207 CB SER A 15 -9.832 -45.162 -11.560 1.00 12.15 C ATOM 208 1HB SER A 15 -10.691 -44.522 -11.763 1.00 12.15 H ATOM 209 2HB SER A 15 -8.917 -44.581 -11.669 1.00 12.15 H ATOM 210 OG SER A 15 -9.807 -46.233 -12.488 1.00 12.15 O ATOM 211 HG SER A 15 -10.693 -46.638 -12.525 1.00 12.15 H ATOM 212 N ALA A 16 -10.645 -44.489 -8.113 1.00 0.03 N ATOM 213 H ALA A 16 -11.401 -45.164 -8.049 1.00 0.03 H ATOM 214 CA ALA A 16 -10.471 -43.522 -7.027 1.00 0.03 C ATOM 215 HA ALA A 16 -10.475 -42.517 -7.444 1.00 0.03 H ATOM 216 C ALA A 16 -9.121 -43.743 -6.333 1.00 0.03 C ATOM 217 O ALA A 16 -8.493 -42.794 -5.873 1.00 0.03 O ATOM 218 CB ALA A 16 -11.615 -43.635 -6.021 1.00 0.03 C ATOM 219 1HB ALA A 16 -12.552 -43.366 -6.502 1.00 0.03 H ATOM 220 2HB ALA A 16 -11.435 -42.956 -5.187 1.00 0.03 H ATOM 221 3HB ALA A 16 -11.684 -44.658 -5.644 1.00 0.03 H ATOM 222 N ALA A 17 -8.641 -44.981 -6.347 1.00-11.07 N ATOM 223 H ALA A 17 -9.208 -45.722 -6.743 1.00-11.07 H ATOM 224 CA ALA A 17 -7.313 -45.321 -5.830 1.00-11.07 C ATOM 225 HA ALA A 17 -7.237 -44.972 -4.799 1.00-11.07 H ATOM 226 C ALA A 17 -6.175 -44.662 -6.632 1.00-11.07 C ATOM 227 O ALA A 17 -5.052 -44.542 -6.163 1.00-11.07 O ATOM 228 CB ALA A 17 -7.157 -46.848 -5.845 1.00-11.07 C ATOM 229 1HB ALA A 17 -7.933 -47.306 -5.231 1.00-11.07 H ATOM 230 2HB ALA A 17 -6.179 -47.116 -5.440 1.00-11.07 H ATOM 231 3HB ALA A 17 -7.235 -47.224 -6.867 1.00-11.07 H ATOM 232 N ILE A 18 -6.490 -44.223 -7.841 1.00 4.43 N ATOM 233 H ILE A 18 -7.448 -44.324 -8.158 1.00 4.43 H ATOM 234 CA ILE A 18 -5.553 -43.585 -8.767 1.00 4.43 C ATOM 235 HA ILE A 18 -4.551 -43.640 -8.339 1.00 4.43 H ATOM 236 C ILE A 18 -5.955 -42.105 -8.877 1.00 4.43 C ATOM 237 O ILE A 18 -5.702 -41.421 -9.877 1.00 4.43 O ATOM 238 CB ILE A 18 -5.535 -44.283 -10.174 1.00 4.43 C ATOM 239 HB ILE A 18 -6.286 -43.808 -10.806 1.00 4.43 H ATOM 240 CG1 ILE A 18 -5.891 -45.786 -10.078 1.00 4.43 C ATOM 241 1HG1 ILE A 18 -5.126 -46.289 -9.486 1.00 4.43 H ATOM 242 2HG1 ILE A 18 -6.846 -45.905 -9.572 1.00 4.43 H ATOM 243 CG2 ILE A 18 -4.135 -44.105 -10.829 1.00 4.43 C ATOM 244 1HG2 ILE A 18 -4.150 -44.452 -11.862 1.00 4.43 H ATOM 245 2HG2 ILE A 18 -3.386 -44.674 -10.271 1.00 4.43 H ATOM 246 3HG2 ILE A 18 -3.846 -43.054 -10.822 1.00 4.43 H ATOM 247 CD1 ILE A 18 -6.029 -46.522 -11.421 1.00 4.43 C ATOM 248 1HD1 ILE A 18 -6.402 -47.530 -11.240 1.00 4.43 H ATOM 249 2HD1 ILE A 18 -5.061 -46.594 -11.918 1.00 4.43 H ATOM 250 3HD1 ILE A 18 -6.736 -45.997 -12.065 1.00 4.43 H ATOM 251 N GLY A 19 -6.632 -41.620 -7.844 1.00 3.27 N ATOM 252 H GLY A 19 -6.861 -42.230 -7.062 1.00 3.27 H ATOM 253 CA GLY A 19 -7.030 -40.223 -7.751 1.00 3.27 C ATOM 254 1HA GLY A 19 -7.040 -39.947 -6.697 1.00 3.27 H ATOM 255 2HA GLY A 19 -6.275 -39.616 -8.250 1.00 3.27 H ATOM 256 C GLY A 19 -8.381 -39.855 -8.333 1.00 3.27 C ATOM 257 O GLY A 19 -8.848 -38.732 -8.127 1.00 3.27 O ATOM 258 N CYS A 20 -9.028 -40.762 -9.052 1.00 15.71 N ATOM 259 H CYS A 20 -8.638 -41.694 -9.156 1.00 15.71 H ATOM 260 CA CYS A 20 -10.290 -40.466 -9.734 1.00 15.71 C ATOM 261 HA CYS A 20 -10.177 -39.496 -10.204 1.00 15.71 H ATOM 262 C CYS A 20 -11.527 -40.416 -8.841 1.00 15.71 C ATOM 263 O CYS A 20 -12.417 -41.251 -8.942 1.00 15.71 O ATOM 264 CB CYS A 20 -10.544 -41.479 -10.840 1.00 15.71 C ATOM 265 1HB CYS A 20 -10.722 -42.454 -10.394 1.00 15.71 H ATOM 266 2HB CYS A 20 -11.436 -41.191 -11.394 1.00 15.71 H ATOM 267 SG CYS A 20 -9.137 -41.589 -11.979 1.00 15.71 S ATOM 268 N SER A 21 -11.586 -39.442 -7.952 1.00-12.51 N ATOM 269 H SER A 21 -10.812 -38.786 -7.914 1.00-12.51 H ATOM 270 CA SER A 21 -12.747 -39.269 -7.090 1.00-12.51 C ATOM 271 HA SER A 21 -12.962 -40.215 -6.593 1.00-12.51 H ATOM 272 C SER A 21 -13.971 -38.852 -7.908 1.00-12.51 C ATOM 273 O SER A 21 -13.861 -38.215 -8.957 1.00-12.51 O ATOM 274 CB SER A 21 -12.444 -38.210 -6.036 1.00-12.51 C ATOM 275 1HB SER A 21 -12.250 -37.261 -6.530 1.00-12.51 H ATOM 276 2HB SER A 21 -13.301 -38.099 -5.370 1.00-12.51 H ATOM 277 OG SER A 21 -11.304 -38.585 -5.284 1.00-12.51 O ATOM 278 HG SER A 21 -10.623 -38.915 -5.878 1.00-12.51 H ATOM 279 N CYS A 22 -15.148 -39.202 -7.420 1.00-20.50 N ATOM 280 H CYS A 22 -15.198 -39.715 -6.557 1.00-20.50 H ATOM 281 CA CYS A 22 -16.393 -38.854 -8.097 1.00-20.50 C ATOM 282 HA CYS A 22 -16.324 -39.130 -9.149 1.00-20.50 H ATOM 283 C CYS A 22 -16.683 -37.356 -7.977 1.00-20.50 C ATOM 284 O CYS A 22 -16.687 -36.833 -6.864 1.00-20.50 O ATOM 285 CB CYS A 22 -17.528 -39.640 -7.432 1.00-20.50 C ATOM 286 1HB CYS A 22 -17.245 -40.690 -7.384 1.00-20.50 H ATOM 287 2HB CYS A 22 -17.656 -39.269 -6.415 1.00-20.50 H ATOM 288 SG CYS A 22 -19.124 -39.526 -8.295 1.00-20.50 S ATOM 289 N LYS A 23 -16.967 -36.673 -9.081 1.00 -7.84 N ATOM 290 H LYS A 23 -16.900 -37.138 -9.996 1.00 -7.84 H ATOM 291 CA LYS A 23 -17.461 -35.287 -9.058 1.00 -7.84 C ATOM 292 HA LYS A 23 -17.879 -35.055 -8.078 1.00 -7.84 H ATOM 293 C LYS A 23 -18.554 -35.244 -10.114 1.00 -7.84 C ATOM 294 O LYS A 23 -18.344 -35.777 -11.185 1.00 -7.84 O ATOM 295 CB LYS A 23 -16.369 -34.264 -9.418 1.00 -7.84 C ATOM 296 1HB LYS A 23 -15.953 -34.521 -10.388 1.00 -7.84 H ATOM 297 2HB LYS A 23 -16.848 -33.289 -9.513 1.00 -7.84 H ATOM 298 CG LYS A 23 -15.220 -34.127 -8.414 1.00 -7.84 C ATOM 299 1HG LYS A 23 -15.071 -33.071 -8.191 1.00 -7.84 H ATOM 300 2HG LYS A 23 -15.489 -34.637 -7.491 1.00 -7.84 H ATOM 301 CD LYS A 23 -13.910 -34.702 -8.947 1.00 -7.84 C ATOM 302 1HD LYS A 23 -14.079 -35.729 -9.264 1.00 -7.84 H ATOM 303 2HD LYS A 23 -13.589 -34.114 -9.807 1.00 -7.84 H ATOM 304 CE LYS A 23 -12.816 -34.683 -7.880 1.00 -7.84 C ATOM 305 1HE LYS A 23 -12.661 -33.654 -7.552 1.00 -7.84 H ATOM 306 2HE LYS A 23 -13.168 -35.264 -7.025 1.00 -7.84 H ATOM 307 NZ LYS A 23 -11.502 -35.257 -8.347 1.00 -7.84 N ATOM 308 1HZ LYS A 23 -10.860 -35.349 -7.573 1.00 -7.84 H ATOM 309 2HZ LYS A 23 -11.065 -34.667 -9.052 1.00 -7.84 H ATOM 310 3HZ LYS A 23 -11.645 -36.173 -8.767 1.00 -7.84 H ATOM 311 N ASN A 24 -19.715 -34.672 -9.828 1.00-11.23 N ATOM 312 H ASN A 24 -19.853 -34.256 -8.918 1.00-11.23 H ATOM 313 CA ASN A 24 -20.827 -34.578 -10.797 1.00-11.23 C ATOM 314 HA ASN A 24 -21.695 -34.189 -10.264 1.00-11.23 H ATOM 315 C ASN A 24 -21.234 -35.921 -11.429 1.00-11.23 C ATOM 316 O ASN A 24 -21.666 -35.972 -12.574 1.00-11.23 O ATOM 317 CB ASN A 24 -20.501 -33.563 -11.909 1.00-11.23 C ATOM 318 1HB ASN A 24 -19.658 -33.925 -12.496 1.00-11.23 H ATOM 319 2HB ASN A 24 -21.363 -33.470 -12.569 1.00-11.23 H ATOM 320 CG ASN A 24 -20.176 -32.195 -11.375 1.00-11.23 C ATOM 321 OD1 ASN A 24 -20.578 -31.822 -10.284 1.00-11.23 O ATOM 322 ND2 ASN A 24 -19.430 -31.438 -12.131 1.00-11.23 N ATOM 323 1HD2 ASN A 24 -19.203 -30.515 -11.803 1.00-11.23 H ATOM 324 2HD2 ASN A 24 -19.112 -31.775 -13.023 1.00-11.23 H ATOM 325 N LYS A 25 -21.052 -37.008 -10.683 1.00 8.80 N ATOM 326 H LYS A 25 -20.690 -36.886 -9.753 1.00 8.80 H ATOM 327 CA LYS A 25 -21.284 -38.387 -11.149 1.00 8.80 C ATOM 328 HA LYS A 25 -20.952 -39.031 -10.343 1.00 8.80 H ATOM 329 C LYS A 25 -20.440 -38.851 -12.348 1.00 8.80 C ATOM 330 O LYS A 25 -20.753 -39.861 -12.980 1.00 8.80 O ATOM 331 CB LYS A 25 -22.780 -38.697 -11.309 1.00 8.80 C ATOM 332 1HB LYS A 25 -23.271 -37.909 -11.880 1.00 8.80 H ATOM 333 2HB LYS A 25 -22.890 -39.631 -11.850 1.00 8.80 H ATOM 334 CG LYS A 25 -23.465 -38.878 -9.961 1.00 8.80 C ATOM 335 1HG LYS A 25 -22.917 -39.642 -9.415 1.00 8.80 H ATOM 336 2HG LYS A 25 -23.420 -37.950 -9.392 1.00 8.80 H ATOM 337 CD LYS A 25 -24.923 -39.315 -10.100 1.00 8.80 C ATOM 338 1HD LYS A 25 -25.534 -38.436 -10.310 1.00 8.80 H ATOM 339 2HD LYS A 25 -25.024 -40.007 -10.933 1.00 8.80 H ATOM 340 CE LYS A 25 -25.427 -40.004 -8.828 1.00 8.80 C ATOM 341 1HE LYS A 25 -25.243 -39.347 -7.976 1.00 8.80 H ATOM 342 2HE LYS A 25 -26.505 -40.158 -8.918 1.00 8.80 H ATOM 343 NZ LYS A 25 -24.769 -41.344 -8.583 1.00 8.80 N ATOM 344 1HZ LYS A 25 -25.013 -41.696 -7.668 1.00 8.80 H ATOM 345 2HZ LYS A 25 -23.760 -41.269 -8.662 1.00 8.80 H ATOM 346 3HZ LYS A 25 -25.081 -42.019 -9.278 1.00 8.80 H ATOM 347 N VAL A 26 -19.291 -38.225 -12.550 1.00 -7.94 N ATOM 348 H VAL A 26 -19.072 -37.381 -12.027 1.00 -7.94 H ATOM 349 CA VAL A 26 -18.248 -38.718 -13.455 1.00 -7.94 C ATOM 350 HA VAL A 26 -18.510 -39.699 -13.825 1.00 -7.94 H ATOM 351 C VAL A 26 -16.994 -38.828 -12.581 1.00 -7.94 C ATOM 352 O VAL A 26 -16.835 -38.067 -11.629 1.00 -7.94 O ATOM 353 CB VAL A 26 -18.073 -37.772 -14.678 1.00 -7.94 C ATOM 354 HB VAL A 26 -17.860 -36.777 -14.312 1.00 -7.94 H ATOM 355 CG1 VAL A 26 -16.920 -38.218 -15.596 1.00 -7.94 C ATOM 356 1HG1 VAL A 26 -16.874 -37.570 -16.471 1.00 -7.94 H ATOM 357 2HG1 VAL A 26 -17.071 -39.251 -15.921 1.00 -7.94 H ATOM 358 3HG1 VAL A 26 -15.971 -38.142 -15.065 1.00 -7.94 H ATOM 359 CG2 VAL A 26 -19.374 -37.703 -15.492 1.00 -7.94 C ATOM 360 1HG2 VAL A 26 -19.234 -37.057 -16.359 1.00 -7.94 H ATOM 361 2HG2 VAL A 26 -20.175 -37.282 -14.882 1.00 -7.94 H ATOM 362 3HG2 VAL A 26 -19.663 -38.700 -15.828 1.00 -7.94 H ATOM 363 N CYS A 27 -16.124 -39.798 -12.808 1.00-21.52 N ATOM 364 H CYS A 27 -16.238 -40.447 -13.590 1.00-21.52 H ATOM 365 CA CYS A 27 -14.919 -39.912 -11.996 1.00-21.52 C ATOM 366 HA CYS A 27 -15.112 -39.557 -10.985 1.00-21.52 H ATOM 367 C CYS A 27 -13.841 -39.050 -12.646 1.00-21.52 C ATOM 368 O CYS A 27 -13.577 -39.175 -13.845 1.00-21.52 O ATOM 369 CB CYS A 27 -14.488 -41.374 -11.928 1.00-21.52 C ATOM 370 1HB CYS A 27 -14.211 -41.693 -12.932 1.00-21.52 H ATOM 371 2HB CYS A 27 -13.622 -41.474 -11.276 1.00-21.52 H ATOM 372 SG CYS A 27 -15.829 -42.451 -11.323 1.00-21.52 S ATOM 373 N TYR A 28 -13.210 -38.180 -11.873 1.00-12.69 N ATOM 374 H TYR A 28 -13.442 -38.117 -10.880 1.00-12.69 H ATOM 375 CA TYR A 28 -12.144 -37.319 -12.383 1.00-12.69 C ATOM 376 HA TYR A 28 -11.783 -37.670 -13.348 1.00-12.69 H ATOM 377 C TYR A 28 -11.029 -37.330 -11.365 1.00-12.69 C ATOM 378 O TYR A 28 -11.312 -37.404 -10.172 1.00-12.69 O ATOM 379 CB TYR A 28 -12.544 -35.841 -12.459 1.00-12.69 C ATOM 380 1HB TYR A 28 -12.756 -35.508 -11.448 1.00-12.69 H ATOM 381 2HB TYR A 28 -11.681 -35.280 -12.813 1.00-12.69 H ATOM 382 CG TYR A 28 -13.722 -35.455 -13.316 1.00-12.69 C ATOM 383 CD1 TYR A 28 -15.033 -35.539 -12.812 1.00-12.69 C ATOM 384 HD1 TYR A 28 -15.215 -35.999 -11.851 1.00-12.69 H ATOM 385 CD2 TYR A 28 -13.531 -34.890 -14.593 1.00-12.69 C ATOM 386 HD2 TYR A 28 -12.537 -34.816 -15.008 1.00-12.69 H ATOM 387 CE1 TYR A 28 -16.124 -35.014 -13.542 1.00-12.69 C ATOM 388 HE1 TYR A 28 -17.122 -35.055 -13.138 1.00-12.69 H ATOM 389 CE2 TYR A 28 -14.632 -34.390 -15.339 1.00-12.69 C ATOM 390 HE2 TYR A 28 -14.475 -33.951 -16.312 1.00-12.69 H ATOM 391 CZ TYR A 28 -15.918 -34.455 -14.800 1.00-12.69 C ATOM 392 OH TYR A 28 -16.994 -33.963 -15.493 1.00-12.69 O ATOM 393 HH TYR A 28 -16.761 -33.640 -16.364 1.00-12.69 H ATOM 394 N ARG A 29 -9.805 -37.076 -11.793 1.00 8.59 N ATOM 395 H ARG A 29 -9.613 -37.066 -12.795 1.00 8.59 H ATOM 396 CA ARG A 29 -8.783 -36.579 -10.874 1.00 8.59 C ATOM 397 HA ARG A 29 -9.094 -36.757 -9.846 1.00 8.59 H ATOM 398 C ARG A 29 -8.823 -35.070 -11.078 1.00 8.59 C ATOM 399 O ARG A 29 -8.344 -34.571 -12.114 1.00 8.59 O ATOM 400 OXT ARG A 29 -9.558 -34.414 -10.307 1.00 8.59 O ATOM 401 CB ARG A 29 -7.426 -37.278 -11.067 1.00 8.59 C ATOM 402 1HB ARG A 29 -6.708 -36.822 -10.386 1.00 8.59 H ATOM 403 2HB ARG A 29 -7.560 -38.315 -10.759 1.00 8.59 H ATOM 404 CG ARG A 29 -6.829 -37.291 -12.473 1.00 8.59 C ATOM 405 1HG ARG A 29 -7.535 -37.745 -13.168 1.00 8.59 H ATOM 406 2HG ARG A 29 -6.630 -36.268 -12.786 1.00 8.59 H ATOM 407 CD ARG A 29 -5.515 -38.066 -12.520 1.00 8.59 C ATOM 408 1HD ARG A 29 -5.052 -37.913 -13.495 1.00 8.59 H ATOM 409 2HD ARG A 29 -4.847 -37.660 -11.760 1.00 8.59 H ATOM 410 NE ARG A 29 -5.677 -39.510 -12.285 1.00 8.59 N ATOM 411 HE ARG A 29 -5.557 -39.835 -11.329 1.00 8.59 H ATOM 412 CZ ARG A 29 -5.941 -40.435 -13.196 1.00 8.59 C ATOM 413 NH1 ARG A 29 -5.950 -41.676 -12.815 1.00 8.59 N ATOM 414 1HH1 ARG A 29 -5.787 -41.888 -11.834 1.00 8.59 H ATOM 415 2HH1 ARG A 29 -6.146 -42.414 -13.467 1.00 8.59 H ATOM 416 NH2 ARG A 29 -6.182 -40.181 -14.457 1.00 8.59 N ATOM 417 1HH2 ARG A 29 -6.182 -39.229 -14.781 1.00 8.59 H ATOM 418 2HH2 ARG A 29 -6.384 -40.930 -15.096 1.00 8.59 H TER 419 ARG A 29 CONECT 55 52 267 CONECT 98 95 288 CONECT 181 178 372 CONECT 267 55 264 CONECT 288 98 285 CONECT 372 181 369 END
SEQUENCE	AIPCGESCVWIPCISAAIGCSCKNKVCYR
HELICITY	44.80	INSTAB. INDEX	25.80	FLEXIBILITY	13.72
a HYD. MOM.	14.93	b HYD. MOM.	10.73	c HYD. MOM	1.36
a MEAN HYD. MOM.	0.51	b MEAN HYD. MOM.	0.37	c MEAN HYD. MOM.	0.05
CHARGE pH5	2.15	CHARGE pH7	1.73	CHARGE pH9	-3.27
Δ CHARGE pH5-pH9	5.42	ISOELECTRIC POINT	8.34	BOMAN INDEX	0.16
ΔG	9	CPP	-0,27	MLP	-4,14
MOLECULAR VOLUME		POLARITY
MIC E. coli		MIC P. aeruginosa		MIC S. typhimurium
MIC S. aureus		MIC M. luteus		MIC B. subtilis
MIC C. albicans		OTHER
MIC OTHER gram+
MIC OTHER gram-
PHYLUM	Magnoliophyta	CLASS	Magnoliopsida	ORDER	Gentianales
FAMILY	Rubiaceae	GENUS	Chassalia	SPECIES	Chassalia parviflora
DATE	2000
TITLE PAPER	New circulin macrocyclic polypeptides from Chassalia parvifolia.