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ID	385	NAME	Pen13   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\pdb_HM_final\KIWFQNRRMKWKK.pdb REMARK YASARA Written on: Wed May 14 11:24:47 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 274 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA REMARK 2 RESOLUTION. 1.90 ANGSTROMS. REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 54.08500 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 54.08500 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 30.38450 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 57.42650 REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 6 -1.000000 0.000000 0.000000 30.38450 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 57.42650 REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 54.08500 REMARK 290 SMTRY1 7 -1.000000 0.000000 0.000000 30.38450 REMARK 290 SMTRY2 7 0.000000 1.000000 0.000000 57.42650 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 54.08500 REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 30.38450 REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 57.42650 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 0.00000 COMPND MOL_ID: 1; COMPND 2 MOLECULE: 5'-; COMPND 3 MOL_ID: 2; COMPND 4 MOLECULE: 5'-; COMPND 5 MOL_ID: 3; COMPND 6 MOLECULE: HOMEOBOX PROTEIN HOX-A9; COMPND 7 CHAIN: A; COMPND 8 MOL_ID: 4; COMPND 9 MOLECULE: PRE-B-CELL LEUKEMIA TRANSCRIPTION FACTOR-1; SEQRES 1 A 13 LYS ILE TRP PHE GLN ASN ARG ARG MET LYS TRP LYS LYS CRYST1 60.769 114.853 108.170 90.00 90.00 90.00 C 2 2 21 8 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 0.016456 0.000000 0.000000 0.00000 SCALE2 0.000000 0.008707 0.000000 0.00000 SCALE3 0.000000 0.000000 0.009245 0.00000 ATOM 1 N LYS A 1 14.980 -14.633 2.642 1.00 -8.27 N ATOM 2 1H LYS A 1 15.067 -13.750 3.124 1.00 -8.27 H ATOM 3 2H LYS A 1 14.358 -14.530 1.852 1.00 -8.27 H ATOM 4 3H LYS A 1 15.890 -14.922 2.299 1.00 -8.27 H ATOM 5 CA LYS A 1 14.443 -15.678 3.569 1.00 -8.27 C ATOM 6 HA LYS A 1 15.099 -15.756 4.435 1.00 -8.27 H ATOM 7 C LYS A 1 14.411 -17.022 2.854 1.00 -8.27 C ATOM 8 O LYS A 1 13.774 -17.124 1.811 1.00 -8.27 O ATOM 9 CB LYS A 1 13.021 -15.316 4.029 1.00 -8.27 C ATOM 10 1HB LYS A 1 12.397 -15.199 3.144 1.00 -8.27 H ATOM 11 2HB LYS A 1 12.631 -16.152 4.612 1.00 -8.27 H ATOM 12 CG LYS A 1 12.888 -14.043 4.876 1.00 -8.27 C ATOM 13 1HG LYS A 1 13.512 -14.139 5.765 1.00 -8.27 H ATOM 14 2HG LYS A 1 13.225 -13.185 4.295 1.00 -8.27 H ATOM 15 CD LYS A 1 11.429 -13.808 5.310 1.00 -8.27 C ATOM 16 1HD LYS A 1 10.799 -13.750 4.420 1.00 -8.27 H ATOM 17 2HD LYS A 1 11.099 -14.651 5.919 1.00 -8.27 H ATOM 18 CE LYS A 1 11.272 -12.511 6.122 1.00 -8.27 C ATOM 19 1HE LYS A 1 11.925 -12.562 6.997 1.00 -8.27 H ATOM 20 2HE LYS A 1 11.597 -11.668 5.506 1.00 -8.27 H ATOM 21 NZ LYS A 1 9.853 -12.258 6.586 1.00 -8.27 N ATOM 22 1HZ LYS A 1 9.811 -11.395 7.116 1.00 -8.27 H ATOM 23 2HZ LYS A 1 9.538 -13.016 7.178 1.00 -8.27 H ATOM 24 3HZ LYS A 1 9.233 -12.180 5.791 1.00 -8.27 H ATOM 25 N ILE A 2 15.094 -18.034 3.380 1.00-22.26 N ATOM 26 H ILE A 2 15.494 -17.959 4.304 1.00-22.26 H ATOM 27 CA ILE A 2 15.437 -19.240 2.611 1.00-22.26 C ATOM 28 HA ILE A 2 16.022 -18.922 1.747 1.00-22.26 H ATOM 29 C ILE A 2 14.226 -19.994 2.055 1.00-22.26 C ATOM 30 O ILE A 2 14.226 -20.364 0.890 1.00-22.26 O ATOM 31 CB ILE A 2 16.337 -20.204 3.456 1.00-22.26 C ATOM 32 HB ILE A 2 15.776 -20.519 4.337 1.00-22.26 H ATOM 33 CG1 ILE A 2 17.609 -19.459 3.924 1.00-22.26 C ATOM 34 1HG1 ILE A 2 18.214 -19.227 3.046 1.00-22.26 H ATOM 35 2HG1 ILE A 2 17.328 -18.519 4.392 1.00-22.26 H ATOM 36 CG2 ILE A 2 16.726 -21.468 2.643 1.00-22.26 C ATOM 37 1HG2 ILE A 2 17.345 -22.136 3.243 1.00-22.26 H ATOM 38 2HG2 ILE A 2 17.276 -21.190 1.740 1.00-22.26 H ATOM 39 3HG2 ILE A 2 15.835 -22.024 2.350 1.00-22.26 H ATOM 40 CD1 ILE A 2 18.489 -20.210 4.935 1.00-22.26 C ATOM 41 1HD1 ILE A 2 19.287 -19.550 5.279 1.00-22.26 H ATOM 42 2HD1 ILE A 2 18.944 -21.085 4.470 1.00-22.26 H ATOM 43 3HD1 ILE A 2 17.893 -20.524 5.794 1.00-22.26 H ATOM 44 N TRP A 3 13.161 -20.157 2.828 1.00-14.21 N ATOM 45 H TRP A 3 13.173 -19.840 3.782 1.00-14.21 H ATOM 46 CA TRP A 3 11.967 -20.844 2.324 1.00-14.21 C ATOM 47 HA TRP A 3 12.229 -21.874 2.080 1.00-14.21 H ATOM 48 C TRP A 3 11.409 -20.201 1.054 1.00-14.21 C ATOM 49 O TRP A 3 11.073 -20.879 0.093 1.00-14.21 O ATOM 50 CB TRP A 3 10.893 -20.851 3.415 1.00-14.21 C ATOM 51 1HB TRP A 3 11.318 -21.288 4.318 1.00-14.21 H ATOM 52 2HB TRP A 3 10.601 -19.824 3.634 1.00-14.21 H ATOM 53 CG TRP A 3 9.664 -21.625 3.041 1.00-14.21 C ATOM 54 CD1 TRP A 3 9.449 -22.956 3.212 1.00-14.21 C ATOM 55 HD1 TRP A 3 10.171 -23.636 3.646 1.00-14.21 H ATOM 56 CD2 TRP A 3 8.452 -21.114 2.453 1.00-14.21 C ATOM 57 NE1 TRP A 3 8.200 -23.322 2.788 1.00-14.21 N ATOM 58 HE1 TRP A 3 7.829 -24.258 2.854 1.00-14.21 H ATOM 59 CE2 TRP A 3 7.557 -22.213 2.309 1.00-14.21 C ATOM 60 CE3 TRP A 3 8.014 -19.831 2.068 1.00-14.21 C ATOM 61 HE3 TRP A 3 8.663 -18.983 2.175 1.00-14.21 H ATOM 62 CZ2 TRP A 3 6.252 -22.061 1.794 1.00-14.21 C ATOM 63 HZ2 TRP A 3 5.590 -22.909 1.705 1.00-14.21 H ATOM 64 CZ3 TRP A 3 6.699 -19.668 1.568 1.00-14.21 C ATOM 65 HZ3 TRP A 3 6.348 -18.683 1.302 1.00-14.21 H ATOM 66 CH2 TRP A 3 5.832 -20.792 1.434 1.00-14.21 C ATOM 67 HH2 TRP A 3 4.828 -20.651 1.059 1.00-14.21 H ATOM 68 N PHE A 4 11.384 -18.878 1.013 1.00-16.96 N ATOM 69 H PHE A 4 11.736 -18.357 1.795 1.00-16.96 H ATOM 70 CA PHE A 4 10.850 -18.148 -0.135 1.00-16.96 C ATOM 71 HA PHE A 4 9.897 -18.591 -0.427 1.00-16.96 H ATOM 72 C PHE A 4 11.806 -18.228 -1.323 1.00-16.96 C ATOM 73 O PHE A 4 11.386 -18.241 -2.476 1.00-16.96 O ATOM 74 CB PHE A 4 10.626 -16.682 0.247 1.00-16.96 C ATOM 75 1HB PHE A 4 11.569 -16.256 0.585 1.00-16.96 H ATOM 76 2HB PHE A 4 10.304 -16.137 -0.641 1.00-16.96 H ATOM 77 CG PHE A 4 9.590 -16.490 1.326 1.00-16.96 C ATOM 78 CD1 PHE A 4 9.918 -16.656 2.686 1.00-16.96 C ATOM 79 HD1 PHE A 4 10.922 -16.922 2.967 1.00-16.96 H ATOM 80 CD2 PHE A 4 8.270 -16.154 0.982 1.00-16.96 C ATOM 81 HD2 PHE A 4 8.005 -16.013 -0.055 1.00-16.96 H ATOM 82 CE1 PHE A 4 8.937 -16.510 3.696 1.00-16.96 C ATOM 83 HE1 PHE A 4 9.193 -16.665 4.734 1.00-16.96 H ATOM 84 CE2 PHE A 4 7.277 -15.993 1.981 1.00-16.96 C ATOM 85 HE2 PHE A 4 6.264 -15.737 1.706 1.00-16.96 H ATOM 86 CZ PHE A 4 7.611 -16.180 3.340 1.00-16.96 C ATOM 87 HZ PHE A 4 6.851 -16.080 4.104 1.00-16.96 H ATOM 88 N GLN A 5 13.098 -18.312 -1.040 1.00 -0.48 N ATOM 89 H GLN A 5 13.398 -18.311 -0.072 1.00 -0.48 H ATOM 90 CA GLN A 5 14.106 -18.438 -2.093 1.00 -0.48 C ATOM 91 HA GLN A 5 13.928 -17.682 -2.857 1.00 -0.48 H ATOM 92 C GLN A 5 13.993 -19.818 -2.735 1.00 -0.48 C ATOM 93 O GLN A 5 14.125 -19.957 -3.950 1.00 -0.48 O ATOM 94 CB GLN A 5 15.514 -18.261 -1.512 1.00 -0.48 C ATOM 95 1HB GLN A 5 15.636 -18.961 -0.689 1.00 -0.48 H ATOM 96 2HB GLN A 5 16.247 -18.511 -2.279 1.00 -0.48 H ATOM 97 CG GLN A 5 15.806 -16.851 -1.003 1.00 -0.48 C ATOM 98 1HG GLN A 5 16.068 -16.216 -1.849 1.00 -0.48 H ATOM 99 2HG GLN A 5 14.912 -16.447 -0.534 1.00 -0.48 H ATOM 100 CD GLN A 5 16.923 -16.809 0.023 1.00 -0.48 C ATOM 101 OE1 GLN A 5 16.753 -16.245 1.100 1.00 -0.48 O ATOM 102 NE2 GLN A 5 18.048 -17.400 -0.276 1.00 -0.48 N ATOM 103 1HE2 GLN A 5 18.806 -17.363 0.389 1.00 -0.48 H ATOM 104 2HE2 GLN A 5 18.158 -17.884 -1.150 1.00 -0.48 H ATOM 105 N ASN A 6 13.731 -20.828 -1.923 1.00-16.06 N ATOM 106 H ASN A 6 13.671 -20.662 -0.919 1.00-16.06 H ATOM 107 CA ASN A 6 13.603 -22.201 -2.408 1.00-16.06 C ATOM 108 HA ASN A 6 14.408 -22.412 -3.115 1.00-16.06 H ATOM 109 C ASN A 6 12.269 -22.378 -3.125 1.00-16.06 C ATOM 110 O ASN A 6 12.161 -23.110 -4.104 1.00-16.06 O ATOM 111 CB ASN A 6 13.700 -23.189 -1.238 1.00-16.06 C ATOM 112 1HB ASN A 6 12.977 -22.916 -0.472 1.00-16.06 H ATOM 113 2HB ASN A 6 13.459 -24.185 -1.608 1.00-16.06 H ATOM 114 CG ASN A 6 15.084 -23.237 -0.618 1.00-16.06 C ATOM 115 OD1 ASN A 6 15.973 -22.469 -0.952 1.00-16.06 O ATOM 116 ND2 ASN A 6 15.276 -24.155 0.287 1.00-16.06 N ATOM 117 1HD2 ASN A 6 16.188 -24.223 0.707 1.00-16.06 H ATOM 118 2HD2 ASN A 6 14.535 -24.783 0.543 1.00-16.06 H ATOM 119 N ARG A 7 11.250 -21.657 -2.675 1.00-22.20 N ATOM 120 H ARG A 7 11.375 -21.104 -1.829 1.00-22.20 H ATOM 121 CA ARG A 7 9.932 -21.662 -3.319 1.00-22.20 C ATOM 122 HA ARG A 7 9.547 -22.681 -3.307 1.00-22.20 H ATOM 123 C ARG A 7 9.993 -21.207 -4.771 1.00-22.20 C ATOM 124 O ARG A 7 9.203 -21.671 -5.584 1.00-22.20 O ATOM 125 CB ARG A 7 8.976 -20.763 -2.533 1.00-22.20 C ATOM 126 1HB ARG A 7 9.067 -21.003 -1.475 1.00-22.20 H ATOM 127 2HB ARG A 7 9.287 -19.731 -2.679 1.00-22.20 H ATOM 128 CG ARG A 7 7.508 -20.897 -2.911 1.00-22.20 C ATOM 129 1HG ARG A 7 7.377 -20.694 -3.973 1.00-22.20 H ATOM 130 2HG ARG A 7 7.176 -21.913 -2.697 1.00-22.20 H ATOM 131 CD ARG A 7 6.671 -19.917 -2.119 1.00-22.20 C ATOM 132 1HD ARG A 7 5.616 -20.143 -2.284 1.00-22.20 H ATOM 133 2HD ARG A 7 6.900 -20.032 -1.061 1.00-22.20 H ATOM 134 NE ARG A 7 6.934 -18.530 -2.533 1.00-22.20 N ATOM 135 HE ARG A 7 7.598 -18.408 -3.282 1.00-22.20 H ATOM 136 CZ ARG A 7 6.360 -17.439 -2.047 1.00-22.20 C ATOM 137 NH1 ARG A 7 6.688 -16.282 -2.551 1.00-22.20 N ATOM 138 1HH1 ARG A 7 7.366 -16.229 -3.294 1.00-22.20 H ATOM 139 2HH1 ARG A 7 6.255 -15.440 -2.210 1.00-22.20 H ATOM 140 NH2 ARG A 7 5.467 -17.457 -1.091 1.00-22.20 N ATOM 141 1HH2 ARG A 7 5.198 -18.337 -0.682 1.00-22.20 H ATOM 142 2HH2 ARG A 7 5.041 -16.603 -0.774 1.00-22.20 H ATOM 143 N ARG A 8 10.960 -20.369 -5.125 1.00 -3.97 N ATOM 144 H ARG A 8 11.591 -20.013 -4.418 1.00 -3.97 H ATOM 145 CA ARG A 8 11.140 -19.977 -6.529 1.00 -3.97 C ATOM 146 HA ARG A 8 10.235 -19.486 -6.890 1.00 -3.97 H ATOM 147 C ARG A 8 11.388 -21.204 -7.392 1.00 -3.97 C ATOM 148 O ARG A 8 10.842 -21.318 -8.474 1.00 -3.97 O ATOM 149 CB ARG A 8 12.350 -19.059 -6.718 1.00 -3.97 C ATOM 150 1HB ARG A 8 13.231 -19.620 -6.415 1.00 -3.97 H ATOM 151 2HB ARG A 8 12.446 -18.842 -7.783 1.00 -3.97 H ATOM 152 CG ARG A 8 12.320 -17.734 -5.959 1.00 -3.97 C ATOM 153 1HG ARG A 8 11.479 -17.134 -6.308 1.00 -3.97 H ATOM 154 2HG ARG A 8 12.205 -17.927 -4.896 1.00 -3.97 H ATOM 155 CD ARG A 8 13.622 -16.967 -6.183 1.00 -3.97 C ATOM 156 1HD ARG A 8 13.748 -16.791 -7.252 1.00 -3.97 H ATOM 157 2HD ARG A 8 13.564 -16.007 -5.667 1.00 -3.97 H ATOM 158 NE ARG A 8 14.774 -17.731 -5.676 1.00 -3.97 N ATOM 159 HE ARG A 8 14.555 -18.614 -5.216 1.00 -3.97 H ATOM 160 CZ ARG A 8 16.055 -17.410 -5.773 1.00 -3.97 C ATOM 161 NH1 ARG A 8 16.935 -18.262 -5.327 1.00 -3.97 N ATOM 162 1HH1 ARG A 8 16.629 -19.147 -4.948 1.00 -3.97 H ATOM 163 2HH1 ARG A 8 17.918 -18.053 -5.383 1.00 -3.97 H ATOM 164 NH2 ARG A 8 16.486 -16.292 -6.300 1.00 -3.97 N ATOM 165 1HH2 ARG A 8 15.823 -15.623 -6.656 1.00 -3.97 H ATOM 166 2HH2 ARG A 8 17.473 -16.105 -6.362 1.00 -3.97 H ATOM 167 N MET A 9 12.193 -22.127 -6.890 1.00 9.73 N ATOM 168 H MET A 9 12.580 -22.014 -5.966 1.00 9.73 H ATOM 169 CA MET A 9 12.549 -23.325 -7.645 1.00 9.73 C ATOM 170 HA MET A 9 12.685 -23.055 -8.690 1.00 9.73 H ATOM 171 C MET A 9 11.448 -24.371 -7.564 1.00 9.73 C ATOM 172 O MET A 9 11.340 -25.244 -8.409 1.00 9.73 O ATOM 173 CB MET A 9 13.853 -23.930 -7.124 1.00 9.73 C ATOM 174 1HB MET A 9 13.711 -24.245 -6.091 1.00 9.73 H ATOM 175 2HB MET A 9 14.081 -24.814 -7.718 1.00 9.73 H ATOM 176 CG MET A 9 15.045 -22.977 -7.180 1.00 9.73 C ATOM 177 1HG MET A 9 14.871 -22.156 -6.486 1.00 9.73 H ATOM 178 2HG MET A 9 15.933 -23.518 -6.851 1.00 9.73 H ATOM 179 SD MET A 9 15.365 -22.276 -8.824 1.00 9.73 S ATOM 180 CE MET A 9 15.848 -23.744 -9.783 1.00 9.73 C ATOM 181 1HE MET A 9 16.222 -23.441 -10.759 1.00 9.73 H ATOM 182 2HE MET A 9 14.982 -24.395 -9.928 1.00 9.73 H ATOM 183 3HE MET A 9 16.629 -24.293 -9.257 1.00 9.73 H ATOM 184 N LYS A 10 10.600 -24.275 -6.550 1.00-10.44 N ATOM 185 H LYS A 10 10.771 -23.596 -5.821 1.00-10.44 H ATOM 186 CA LYS A 10 9.422 -25.139 -6.491 1.00-10.44 C ATOM 187 HA LYS A 10 9.735 -26.164 -6.692 1.00-10.44 H ATOM 188 C LYS A 10 8.437 -24.733 -7.584 1.00-10.44 C ATOM 189 O LYS A 10 7.781 -25.579 -8.174 1.00-10.44 O ATOM 190 CB LYS A 10 8.764 -25.082 -5.110 1.00-10.44 C ATOM 191 1HB LYS A 10 9.538 -25.231 -4.358 1.00-10.44 H ATOM 192 2HB LYS A 10 8.313 -24.101 -4.963 1.00-10.44 H ATOM 193 CG LYS A 10 7.700 -26.155 -4.925 1.00-10.44 C ATOM 194 1HG LYS A 10 6.896 -25.993 -5.643 1.00-10.44 H ATOM 195 2HG LYS A 10 8.152 -27.128 -5.120 1.00-10.44 H ATOM 196 CD LYS A 10 7.110 -26.161 -3.528 1.00-10.44 C ATOM 197 1HD LYS A 10 7.913 -26.286 -2.800 1.00-10.44 H ATOM 198 2HD LYS A 10 6.595 -25.217 -3.346 1.00-10.44 H ATOM 199 CE LYS A 10 6.127 -27.324 -3.414 1.00-10.44 C ATOM 200 1HE LYS A 10 5.341 -27.194 -4.163 1.00-10.44 H ATOM 201 2HE LYS A 10 6.661 -28.250 -3.640 1.00-10.44 H ATOM 202 NZ LYS A 10 5.501 -27.442 -2.052 1.00-10.44 N ATOM 203 1HZ LYS A 10 4.883 -28.242 -2.030 1.00-10.44 H ATOM 204 2HZ LYS A 10 4.970 -26.607 -1.843 1.00-10.44 H ATOM 205 3HZ LYS A 10 6.222 -27.563 -1.354 1.00-10.44 H ATOM 206 N TRP A 11 8.319 -23.438 -7.831 1.00-13.67 N ATOM 207 H TRP A 11 8.837 -22.770 -7.273 1.00-13.67 H ATOM 208 CA TRP A 11 7.424 -22.935 -8.873 1.00-13.67 C ATOM 209 HA TRP A 11 6.520 -23.544 -8.891 1.00-13.67 H ATOM 210 C TRP A 11 8.029 -23.005 -10.276 1.00-13.67 C ATOM 211 O TRP A 11 7.321 -23.252 -11.248 1.00-13.67 O ATOM 212 CB TRP A 11 7.042 -21.491 -8.545 1.00-13.67 C ATOM 213 1HB TRP A 11 7.951 -20.912 -8.383 1.00-13.67 H ATOM 214 2HB TRP A 11 6.513 -21.070 -9.400 1.00-13.67 H ATOM 215 CG TRP A 11 6.143 -21.365 -7.330 1.00-13.67 C ATOM 216 CD1 TRP A 11 5.410 -22.352 -6.736 1.00-13.67 C ATOM 217 HD1 TRP A 11 5.423 -23.387 -7.055 1.00-13.67 H ATOM 218 CD2 TRP A 11 5.823 -20.165 -6.600 1.00-13.67 C ATOM 219 NE1 TRP A 11 4.630 -21.860 -5.725 1.00-13.67 N ATOM 220 HE1 TRP A 11 3.983 -22.413 -5.185 1.00-13.67 H ATOM 221 CE2 TRP A 11 4.842 -20.513 -5.624 1.00-13.67 C ATOM 222 CE3 TRP A 11 6.229 -18.819 -6.700 1.00-13.67 C ATOM 223 HE3 TRP A 11 6.972 -18.530 -7.430 1.00-13.67 H ATOM 224 CZ2 TRP A 11 4.236 -19.552 -4.787 1.00-13.67 C ATOM 225 HZ2 TRP A 11 3.475 -19.838 -4.077 1.00-13.67 H ATOM 226 CZ3 TRP A 11 5.626 -17.847 -5.855 1.00-13.67 C ATOM 227 HZ3 TRP A 11 5.914 -16.809 -5.942 1.00-13.67 H ATOM 228 CH2 TRP A 11 4.624 -18.229 -4.916 1.00-13.67 C ATOM 229 HH2 TRP A 11 4.152 -17.474 -4.304 1.00-13.67 H ATOM 230 N LYS A 12 9.333 -22.800 -10.388 1.00 -0.80 N ATOM 231 H LYS A 12 9.874 -22.558 -9.560 1.00 -0.80 H ATOM 232 CA LYS A 12 10.052 -22.893 -11.659 1.00 -0.80 C ATOM 233 HA LYS A 12 9.422 -23.394 -12.394 1.00 -0.80 H ATOM 234 C LYS A 12 11.285 -23.741 -11.419 1.00 -0.80 C ATOM 235 O LYS A 12 12.351 -23.232 -11.066 1.00 -0.80 O ATOM 236 CB LYS A 12 10.424 -21.502 -12.193 1.00 -0.80 C ATOM 237 1HB LYS A 12 9.515 -20.903 -12.223 1.00 -0.80 H ATOM 238 2HB LYS A 12 11.112 -21.021 -11.498 1.00 -0.80 H ATOM 239 CG LYS A 12 11.033 -21.512 -13.611 1.00 -0.80 C ATOM 240 1HG LYS A 12 10.835 -22.480 -14.070 1.00 -0.80 H ATOM 241 2HG LYS A 12 10.522 -20.754 -14.204 1.00 -0.80 H ATOM 242 CD LYS A 12 12.547 -21.211 -13.657 1.00 -0.80 C ATOM 243 1HD LYS A 12 12.709 -20.316 -14.259 1.00 -0.80 H ATOM 244 2HD LYS A 12 12.913 -21.018 -12.649 1.00 -0.80 H ATOM 245 CE LYS A 12 13.345 -22.375 -14.259 1.00 -0.80 C ATOM 246 1HE LYS A 12 12.659 -23.169 -14.563 1.00 -0.80 H ATOM 247 2HE LYS A 12 13.893 -22.038 -15.140 1.00 -0.80 H ATOM 248 NZ LYS A 12 14.301 -22.932 -13.238 1.00 -0.80 N ATOM 249 1HZ LYS A 12 14.622 -23.853 -13.531 1.00 -0.80 H ATOM 250 2HZ LYS A 12 13.810 -23.074 -12.358 1.00 -0.80 H ATOM 251 3HZ LYS A 12 15.084 -22.318 -13.093 1.00 -0.80 H ATOM 252 N LYS A 13 11.113 -25.038 -11.603 1.00-13.57 N ATOM 253 H LYS A 13 10.204 -25.378 -11.860 1.00-13.57 H ATOM 254 CA LYS A 13 12.212 -25.992 -11.486 1.00-13.57 C ATOM 255 HA LYS A 13 12.706 -25.863 -10.523 1.00-13.57 H ATOM 256 C LYS A 13 13.204 -25.708 -12.591 1.00-13.57 C ATOM 257 O LYS A 13 14.421 -25.651 -12.341 1.00-13.57 O ATOM 258 OXT LYS A 13 12.723 -25.469 -13.712 1.00-13.57 O ATOM 259 CB LYS A 13 11.672 -27.411 -11.622 1.00-13.57 C ATOM 260 1HB LYS A 13 10.851 -27.536 -10.916 1.00-13.57 H ATOM 261 2HB LYS A 13 11.284 -27.535 -12.634 1.00-13.57 H ATOM 262 CG LYS A 13 12.706 -28.483 -11.360 1.00-13.57 C ATOM 263 1HG LYS A 13 13.560 -28.348 -12.024 1.00-13.57 H ATOM 264 2HG LYS A 13 13.037 -28.420 -10.323 1.00-13.57 H ATOM 265 CD LYS A 13 12.082 -29.838 -11.618 1.00-13.57 C ATOM 266 1HD LYS A 13 11.190 -29.939 -10.999 1.00-13.57 H ATOM 267 2HD LYS A 13 11.795 -29.898 -12.669 1.00-13.57 H ATOM 268 CE LYS A 13 13.048 -30.966 -11.297 1.00-13.57 C ATOM 269 1HE LYS A 13 13.946 -30.851 -11.908 1.00-13.57 H ATOM 270 2HE LYS A 13 13.329 -30.904 -10.243 1.00-13.57 H ATOM 271 NZ LYS A 13 12.409 -32.298 -11.576 1.00-13.57 N ATOM 272 1HZ LYS A 13 13.065 -33.041 -11.374 1.00-13.57 H ATOM 273 2HZ LYS A 13 12.138 -32.348 -12.548 1.00-13.57 H ATOM 274 3HZ LYS A 13 11.588 -32.410 -10.996 1.00-13.57 H TER 275 LYS A 13 END
SEQUENCE	KIWFQNRRMKWKK
HELICITY	92.30	INSTAB. INDEX	46.76	FLEXIBILITY	6.38
a HYD. MOM.	20.06	b HYD. MOM.	2.43	c HYD. MOM	1.36
a MEAN HYD. MOM.	1.54	b MEAN HYD. MOM.	0.19	c MEAN HYD. MOM.	0.10
CHARGE pH5	6.00	CHARGE pH7	6.00	CHARGE pH9	5.71
Δ CHARGE pH5-pH9	0.30	ISOELECTRIC POINT	12.03	BOMAN INDEX	3.79
ΔG	9	CPP	1	MLP	-12,72
MOLECULAR VOLUME		POLARITY
MIC E. coli	128	MIC P. aeruginosa		MIC S. typhimurium
MIC S. aureus	256	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	2013
TITLE PAPER	Antimicrobial and cell-penetrating properties of penetratin analogs: Effect of sequence and secondary structure