Back to Resultset

ID	357	NAME	Anticancer peptide A2   Blast NCBI-PROT
LENGTH	13	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\risultati_grimd_abalone\pdb_final\GLFDKLKSLVSDF.pdb REMARK YASARA Written on: Wed May 14 16:11:04 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 213 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA SEQRES 1 13 GLY LEU PHE ASP LYS LEU LYS SER LEU VAL SER ASP PHE ATOM 1 N GLY 1 -4.970 -15.050 22.123 1.00 -0.42 N ATOM 2 1H GLY 1 -5.690 -14.884 21.434 1.00 -0.42 H ATOM 3 2H GLY 1 -4.062 -14.962 21.691 1.00 -0.42 H ATOM 4 3H GLY 1 -5.080 -15.983 22.495 1.00 0.27 H ATOM 5 CA GLY 1 -5.103 -14.063 23.220 1.00 -0.03 C ATOM 6 1HA GLY 1 -4.330 -14.250 23.966 1.00 0.07 H ATOM 7 2HA GLY 1 -4.987 -13.057 22.818 1.00 0.07 H ATOM 8 C GLY 1 -6.454 -14.181 23.869 1.00 0.60 C ATOM 9 O GLY 1 -7.198 -15.048 23.440 1.00 -0.57 O ATOM 10 N LEU 2 -6.783 -13.371 24.868 1.00 -0.42 N ATOM 11 H LEU 2 -6.134 -12.674 25.201 1.00 0.27 H ATOM 12 CA LEU 2 -8.106 -13.437 25.496 1.00 -0.05 C ATOM 13 HA LEU 2 -8.314 -14.460 25.812 1.00 0.09 H ATOM 14 C LEU 2 -9.149 -13.010 24.471 1.00 0.60 C ATOM 15 O LEU 2 -8.879 -12.109 23.675 1.00 -0.57 O ATOM 16 CB LEU 2 -8.183 -12.491 26.701 1.00 -0.11 C ATOM 17 1HB LEU 2 -7.973 -11.483 26.342 1.00 0.05 H ATOM 18 2HB LEU 2 -9.208 -12.501 27.070 1.00 0.05 H ATOM 19 CG LEU 2 -7.255 -12.770 27.894 1.00 0.35 C ATOM 20 HG LEU 2 -6.227 -12.806 27.534 1.00 -0.04 H ATOM 21 CD1 LEU 2 -7.364 -11.632 28.902 1.00 -0.41 C ATOM 22 1HD1 LEU 2 -8.380 -11.567 29.297 1.00 0.10 H ATOM 23 2HD1 LEU 2 -6.676 -11.810 29.732 1.00 0.10 H ATOM 24 3HD1 LEU 2 -7.097 -10.685 28.433 1.00 0.10 H ATOM 25 CD2 LEU 2 -7.574 -14.096 28.581 1.00 -0.41 C ATOM 26 1HD2 LEU 2 -8.608 -14.105 28.933 1.00 0.10 H ATOM 27 2HD2 LEU 2 -7.415 -14.929 27.897 1.00 0.10 H ATOM 28 3HD2 LEU 2 -6.912 -14.233 29.440 1.00 0.10 H ATOM 29 N PHE 3 -10.330 -13.614 24.507 1.00 -0.42 N ATOM 30 H PHE 3 -10.515 -14.309 25.215 1.00 0.27 H ATOM 31 CA PHE 3 -11.373 -13.341 23.515 1.00 -0.00 C ATOM 32 HA PHE 3 -10.998 -13.622 22.535 1.00 0.10 H ATOM 33 C PHE 3 -11.765 -11.873 23.430 1.00 0.60 C ATOM 34 O PHE 3 -12.013 -11.352 22.347 1.00 -0.57 O ATOM 35 CB PHE 3 -12.626 -14.171 23.802 1.00 -0.03 C ATOM 36 1HB PHE 3 -12.356 -15.227 23.801 1.00 0.03 H ATOM 37 2HB PHE 3 -13.004 -13.910 24.790 1.00 0.03 H ATOM 38 CG PHE 3 -13.726 -13.947 22.797 1.00 0.01 C ATOM 39 CD1 PHE 3 -13.682 -14.576 21.540 1.00 -0.13 C ATOM 40 HD1 PHE 3 -12.881 -15.262 21.306 1.00 0.13 H ATOM 41 CD2 PHE 3 -14.789 -13.070 23.087 1.00 -0.13 C ATOM 42 HD2 PHE 3 -14.840 -12.586 24.052 1.00 0.13 H ATOM 43 CE1 PHE 3 -14.675 -14.314 20.563 1.00 -0.17 C ATOM 44 HE1 PHE 3 -14.627 -14.798 19.598 1.00 0.14 H ATOM 45 CE2 PHE 3 -15.792 -12.800 22.123 1.00 -0.17 C ATOM 46 HE2 PHE 3 -16.606 -12.130 22.358 1.00 0.14 H ATOM 47 CZ PHE 3 -15.731 -13.419 20.855 1.00 -0.11 C ATOM 48 HZ PHE 3 -16.492 -13.219 20.113 1.00 0.13 H ATOM 49 N ASP 4 -11.727 -11.169 24.552 1.00 -0.52 N ATOM 50 H ASP 4 -11.482 -11.614 25.421 1.00 0.29 H ATOM 51 CA ASP 4 -12.067 -9.749 24.548 1.00 0.04 C ATOM 52 HA ASP 4 -13.088 -9.650 24.198 1.00 0.09 H ATOM 53 C ASP 4 -11.173 -8.924 23.623 1.00 0.54 C ATOM 54 O ASP 4 -11.616 -7.971 22.993 1.00 -0.58 O ATOM 55 CB ASP 4 -11.979 -9.162 25.950 1.00 -0.03 C ATOM 56 1HB ASP 4 -12.585 -9.760 26.630 1.00 -0.01 H ATOM 57 2HB ASP 4 -10.940 -9.199 26.280 1.00 -0.01 H ATOM 58 CG ASP 4 -12.448 -7.723 25.985 1.00 0.80 C ATOM 59 OD1 ASP 4 -13.642 -7.468 25.718 1.00 -0.55 O ATOM 60 OD2 ASP 4 -11.599 -6.838 26.219 1.00 -0.55 O ATOM 61 N LYS 5 -9.920 -9.336 23.480 1.00 -0.35 N ATOM 62 H LYS 5 -9.611 -10.169 23.967 1.00 0.28 H ATOM 63 CA LYS 5 -8.989 -8.648 22.588 1.00 -0.24 C ATOM 64 HA LYS 5 -9.408 -7.674 22.336 1.00 0.14 H ATOM 65 C LYS 5 -8.817 -9.364 21.258 1.00 0.73 C ATOM 66 O LYS 5 -8.288 -8.793 20.317 1.00 -0.59 O ATOM 67 CB LYS 5 -7.658 -8.401 23.302 1.00 -0.01 C ATOM 68 1HB LYS 5 -7.714 -8.822 24.305 1.00 0.04 H ATOM 69 2HB LYS 5 -6.868 -8.923 22.760 1.00 0.04 H ATOM 70 CG LYS 5 -7.283 -6.910 23.399 1.00 0.02 C ATOM 71 1HG LYS 5 -6.289 -6.831 23.840 1.00 0.01 H ATOM 72 2HG LYS 5 -7.234 -6.510 22.386 1.00 0.01 H ATOM 73 CD LYS 5 -8.257 -6.027 24.216 1.00 -0.05 C ATOM 74 1HD LYS 5 -7.991 -4.983 24.043 1.00 0.06 H ATOM 75 2HD LYS 5 -9.277 -6.174 23.860 1.00 0.06 H ATOM 76 CE LYS 5 -8.214 -6.293 25.721 1.00 -0.01 C ATOM 77 1HE LYS 5 -8.449 -7.342 25.909 1.00 0.11 H ATOM 78 2HE LYS 5 -7.210 -6.081 26.092 1.00 0.11 H ATOM 79 NZ LYS 5 -9.212 -5.434 26.448 1.00 -0.38 N ATOM 80 1HZ LYS 5 -10.160 -5.746 26.218 1.00 0.17 H ATOM 81 2HZ LYS 5 -9.094 -5.530 27.446 1.00 0.17 H ATOM 82 3HZ LYS 5 -9.108 -4.466 26.184 1.00 0.17 H ATOM 83 N LEU 6 -9.374 -10.558 21.122 1.00 -0.42 N ATOM 84 H LEU 6 -9.748 -11.039 21.929 1.00 0.27 H ATOM 85 CA LEU 6 -9.537 -11.150 19.794 1.00 -0.05 C ATOM 86 HA LEU 6 -8.600 -11.064 19.245 1.00 0.09 H ATOM 87 C LEU 6 -10.585 -10.348 19.028 1.00 0.60 C ATOM 88 O LEU 6 -10.432 -10.154 17.833 1.00 -0.57 O ATOM 89 CB LEU 6 -9.944 -12.627 19.841 1.00 -0.11 C ATOM 90 1HB LEU 6 -10.864 -12.711 20.416 1.00 0.05 H ATOM 91 2HB LEU 6 -10.178 -12.928 18.819 1.00 0.05 H ATOM 92 CG LEU 6 -8.927 -13.639 20.393 1.00 0.35 C ATOM 93 HG LEU 6 -8.682 -13.369 21.417 1.00 -0.04 H ATOM 94 CD1 LEU 6 -9.537 -15.039 20.401 1.00 -0.41 C ATOM 95 1HD1 LEU 6 -9.733 -15.373 19.380 1.00 0.10 H ATOM 96 2HD1 LEU 6 -8.856 -15.739 20.886 1.00 0.10 H ATOM 97 3HD1 LEU 6 -10.475 -15.036 20.953 1.00 0.10 H ATOM 98 CD2 LEU 6 -7.625 -13.666 19.581 1.00 -0.41 C ATOM 99 1HD2 LEU 6 -7.097 -12.719 19.694 1.00 0.10 H ATOM 100 2HD2 LEU 6 -6.991 -14.478 19.921 1.00 0.10 H ATOM 101 3HD2 LEU 6 -7.854 -13.819 18.523 1.00 0.10 H ATOM 102 N LYS 7 -11.579 -9.789 19.715 1.00 -0.35 N ATOM 103 H LYS 7 -11.712 -10.032 20.693 1.00 0.28 H ATOM 104 CA LYS 7 -12.500 -8.837 19.071 1.00 -0.24 C ATOM 105 HA LYS 7 -13.036 -9.344 18.268 1.00 0.14 H ATOM 106 C LYS 7 -11.738 -7.663 18.467 1.00 0.73 C ATOM 107 O LYS 7 -12.018 -7.233 17.359 1.00 -0.59 O ATOM 108 CB LYS 7 -13.504 -8.243 20.061 1.00 -0.01 C ATOM 109 1HB LYS 7 -12.936 -7.738 20.837 1.00 0.04 H ATOM 110 2HB LYS 7 -14.089 -7.490 19.531 1.00 0.04 H ATOM 111 CG LYS 7 -14.474 -9.228 20.711 1.00 0.02 C ATOM 112 1HG LYS 7 -14.982 -9.794 19.929 1.00 0.01 H ATOM 113 2HG LYS 7 -13.914 -9.921 21.336 1.00 0.01 H ATOM 114 CD LYS 7 -15.529 -8.518 21.580 1.00 -0.05 C ATOM 115 1HD LYS 7 -16.076 -7.797 20.972 1.00 0.06 H ATOM 116 2HD LYS 7 -16.227 -9.268 21.954 1.00 0.06 H ATOM 117 CE LYS 7 -14.884 -7.799 22.767 1.00 -0.01 C ATOM 118 1HE LYS 7 -14.216 -8.506 23.245 1.00 0.11 H ATOM 119 2HE LYS 7 -14.262 -6.982 22.395 1.00 0.11 H ATOM 120 NZ LYS 7 -15.784 -7.252 23.833 1.00 -0.38 N ATOM 121 1HZ LYS 7 -15.204 -6.981 24.631 1.00 0.17 H ATOM 122 2HZ LYS 7 -16.288 -6.447 23.494 1.00 0.17 H ATOM 123 3HZ LYS 7 -16.430 -7.962 24.141 1.00 0.17 H ATOM 124 N SER 8 -10.763 -7.152 19.203 1.00 -0.42 N ATOM 125 H SER 8 -10.573 -7.529 20.116 1.00 0.27 H ATOM 126 CA SER 8 -9.954 -6.033 18.729 1.00 -0.03 C ATOM 127 HA SER 8 -10.620 -5.236 18.397 1.00 0.08 H ATOM 128 C SER 8 -9.061 -6.430 17.561 1.00 0.60 C ATOM 129 O SER 8 -8.814 -5.630 16.675 1.00 -0.57 O ATOM 130 CB SER 8 -9.082 -5.517 19.870 1.00 0.21 C ATOM 131 1HB SER 8 -8.301 -6.247 20.080 1.00 0.04 H ATOM 132 2HB SER 8 -8.618 -4.574 19.578 1.00 0.04 H ATOM 133 OG SER 8 -9.871 -5.342 21.037 1.00 -0.65 O ATOM 134 HG SER 8 -10.526 -4.660 20.859 1.00 0.43 H ATOM 135 N LEU 9 -8.599 -7.672 17.547 1.00 -0.42 N ATOM 136 H LEU 9 -8.804 -8.291 18.319 1.00 0.27 H ATOM 137 CA LEU 9 -7.778 -8.171 16.447 1.00 -0.05 C ATOM 138 HA LEU 9 -6.924 -7.505 16.320 1.00 0.09 H ATOM 139 C LEU 9 -8.567 -8.184 15.140 1.00 0.60 C ATOM 140 O LEU 9 -8.047 -7.813 14.103 1.00 -0.57 O ATOM 141 CB LEU 9 -7.276 -9.582 16.775 1.00 -0.11 C ATOM 142 1HB LEU 9 -6.825 -9.557 17.766 1.00 0.05 H ATOM 143 2HB LEU 9 -8.139 -10.241 16.815 1.00 0.05 H ATOM 144 CG LEU 9 -6.265 -10.213 15.808 1.00 0.35 C ATOM 145 HG LEU 9 -6.693 -10.222 14.808 1.00 -0.04 H ATOM 146 CD1 LEU 9 -4.939 -9.453 15.772 1.00 -0.41 C ATOM 147 1HD1 LEU 9 -4.232 -9.971 15.124 1.00 0.10 H ATOM 148 2HD1 LEU 9 -5.103 -8.457 15.349 1.00 0.10 H ATOM 149 3HD1 LEU 9 -4.521 -9.356 16.772 1.00 0.10 H ATOM 150 CD2 LEU 9 -6.011 -11.663 16.228 1.00 -0.41 C ATOM 151 1HD2 LEU 9 -5.327 -12.128 15.518 1.00 0.10 H ATOM 152 2HD2 LEU 9 -5.578 -11.696 17.227 1.00 0.10 H ATOM 153 3HD2 LEU 9 -6.951 -12.216 16.213 1.00 0.10 H ATOM 154 N VAL 10 -9.846 -8.530 15.201 1.00 -0.42 N ATOM 155 H VAL 10 -10.252 -8.803 16.086 1.00 0.27 H ATOM 156 CA VAL 10 -10.707 -8.519 14.010 1.00 -0.09 C ATOM 157 HA VAL 10 -10.065 -8.615 13.132 1.00 0.10 H ATOM 158 C VAL 10 -11.420 -7.172 13.858 1.00 0.60 C ATOM 159 O VAL 10 -12.493 -7.053 13.268 1.00 -0.57 O ATOM 160 CB VAL 10 -11.687 -9.728 13.979 1.00 0.30 C ATOM 161 HB VAL 10 -12.259 -9.685 13.054 1.00 -0.03 H ATOM 162 CG1 VAL 10 -10.890 -11.047 13.983 1.00 -0.32 C ATOM 163 1HG1 VAL 10 -11.571 -11.884 13.839 1.00 0.08 H ATOM 164 2HG1 VAL 10 -10.172 -11.033 13.160 1.00 0.08 H ATOM 165 3HG1 VAL 10 -10.356 -11.170 14.926 1.00 0.08 H ATOM 166 CG2 VAL 10 -12.677 -9.729 15.157 1.00 -0.32 C ATOM 167 1HG2 VAL 10 -13.384 -10.546 15.034 1.00 0.08 H ATOM 168 2HG2 VAL 10 -12.151 -9.847 16.098 1.00 0.08 H ATOM 169 3HG2 VAL 10 -13.231 -8.789 15.168 1.00 0.08 H ATOM 170 N SER 11 -10.808 -6.147 14.436 1.00 -0.42 N ATOM 171 H SER 11 -10.017 -6.320 15.041 1.00 0.27 H ATOM 172 CA SER 11 -11.159 -4.757 14.163 1.00 -0.03 C ATOM 173 HA SER 11 -12.001 -4.714 13.473 1.00 0.08 H ATOM 174 C SER 11 -9.959 -4.057 13.526 1.00 0.60 C ATOM 175 O SER 11 -10.025 -2.871 13.211 1.00 -0.57 O ATOM 176 CB SER 11 -11.531 -4.035 15.459 1.00 0.21 C ATOM 177 1HB SER 11 -10.653 -3.987 16.101 1.00 0.04 H ATOM 178 2HB SER 11 -11.851 -3.019 15.224 1.00 0.04 H ATOM 179 OG SER 11 -12.570 -4.715 16.146 1.00 -0.65 O ATOM 180 HG SER 11 -12.343 -5.657 16.181 1.00 0.43 H ATOM 181 N ASP 12 -8.858 -4.788 13.394 1.00 -0.52 N ATOM 182 H ASP 12 -8.863 -5.760 13.669 1.00 0.29 H ATOM 183 CA ASP 12 -7.605 -4.260 12.846 1.00 0.04 C ATOM 184 HA ASP 12 -7.562 -3.178 12.971 1.00 0.09 H ATOM 185 C ASP 12 -7.520 -4.608 11.359 1.00 0.54 C ATOM 186 O ASP 12 -6.965 -3.868 10.545 1.00 -0.58 O ATOM 187 CB ASP 12 -6.432 -4.901 13.600 1.00 -0.03 C ATOM 188 1HB ASP 12 -6.633 -4.850 14.671 1.00 -0.01 H ATOM 189 2HB ASP 12 -6.360 -5.949 13.317 1.00 -0.01 H ATOM 190 CG ASP 12 -5.099 -4.224 13.323 1.00 0.80 C ATOM 191 OD1 ASP 12 -4.998 -2.988 13.496 1.00 -0.55 O ATOM 192 OD2 ASP 12 -4.116 -4.944 13.031 1.00 -0.55 O ATOM 193 N PHE 13 -8.120 -5.742 11.018 1.00 -0.42 N ATOM 194 H PHE 13 -8.591 -6.303 11.720 1.00 0.27 H ATOM 195 CA PHE 13 -8.206 -6.277 9.664 1.00 -0.00 C ATOM 196 HA PHE 13 -8.433 -5.488 8.950 1.00 0.10 H ATOM 197 C PHE 13 -9.374 -7.252 9.749 1.00 0.60 C ATOM 198 O PHE 13 -9.792 -7.825 8.718 1.00 -0.57 O ATOM 199 OXT PHE 13 -9.836 -7.438 10.898 1.00 -0.57 O ATOM 200 CB PHE 13 -6.911 -7.001 9.271 1.00 -0.03 C ATOM 201 1HB PHE 13 -7.056 -7.472 8.300 1.00 0.03 H ATOM 202 2HB PHE 13 -6.117 -6.260 9.181 1.00 0.03 H ATOM 203 CG PHE 13 -6.468 -8.046 10.265 1.00 0.01 C ATOM 204 CD1 PHE 13 -5.486 -7.737 11.223 1.00 -0.13 C ATOM 205 HD1 PHE 13 -5.069 -6.738 11.261 1.00 0.13 H ATOM 206 CD2 PHE 13 -7.014 -9.342 10.242 1.00 -0.13 C ATOM 207 HD2 PHE 13 -7.786 -9.582 9.523 1.00 0.13 H ATOM 208 CE1 PHE 13 -5.041 -8.709 12.149 1.00 -0.17 C ATOM 209 HE1 PHE 13 -4.295 -8.445 12.883 1.00 0.14 H ATOM 210 CE2 PHE 13 -6.583 -10.331 11.165 1.00 -0.17 C ATOM 211 HE2 PHE 13 -7.021 -11.316 11.143 1.00 0.14 H ATOM 212 CZ PHE 13 -5.588 -10.013 12.116 1.00 -0.11 C ATOM 213 HZ PHE 13 -5.255 -10.758 12.821 1.00 0.13 H TER 214 PHE 13 END
SEQUENCE	GLFDKLKSLVSDF
HELICITY	69.20	INSTAB. INDEX	-6.67	FLEXIBILITY	14.15
a HYD. MOM.	64.11	b HYD. MOM.	23.93	c HYD. MOM	4.23
a MEAN HYD. MOM.	4.93	b MEAN HYD. MOM.	1.84	c MEAN HYD. MOM.	0.33
CHARGE pH5	0.14	CHARGE pH7	0.00	CHARGE pH9	-0.23
Δ CHARGE pH5-pH9	0.37	ISOELECTRIC POINT	5.96	BOMAN INDEX	0.74
ΔG	7	CPP	-0,23	MLP	-5,76
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	Synthetic	CLASS	Synthetic	ORDER	Synthetic
FAMILY	Synthetic	GENUS	Synthetic	SPECIES	Synthetic
DATE	2005
TITLE PAPER	Correlation of three-dimensional structures with the antibacterial activity of a group of peptides designed based on a nontoxic bacterial membrane anchor.