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ID	914	NAME	Psc-AFP   Blast NCBI-PROT
LENGTH	20	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\EWEPVQNGGSSYYMVPRIWA.pdb REMARK YASARA Written on: Wed May 14 11:57:30 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 320 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA REMARK 2 RESOLUTION. 2.30 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 0.00000 REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 4 -1.000000 0.000000 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 70.69150 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 70.69150 REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 23.35800 REMARK 290 SMTRY1 6 -1.000000 0.000000 0.000000 70.69150 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 70.69150 REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 23.35800 REMARK 290 SMTRY1 7 0.000000 -1.000000 0.000000 70.69150 REMARK 290 SMTRY2 7 1.000000 0.000000 0.000000 70.69150 REMARK 290 SMTRY3 7 0.000000 0.000000 1.000000 23.35800 REMARK 290 SMTRY1 8 0.000000 1.000000 0.000000 70.69150 REMARK 290 SMTRY2 8 -1.000000 0.000000 0.000000 70.69150 REMARK 290 SMTRY3 8 0.000000 0.000000 1.000000 23.35800 COMPND MOL_ID: 1; COMPND 2 MOLECULE: CHYMOTRYPSIN INHIBITOR 3; COMPND 3 CHAIN: A; COMPND 4 MOL_ID: 2; COMPND 5 MOLECULE: `NOTE:` This template has been downloaded from PDB_REDO (www.cmbi.ru.nl/pdb_redo), since re-refinement improved the structure quality Z-score by 0.543.; SEQRES 1 A 20 GLU TRP GLU PRO VAL GLN ASN GLY GLY SER SER TYR TYR SEQRES 2 A 20 MET VAL PRO ARG ILE TRP ALA CRYST1 141.383 141.383 46.716 90.00 90.00 90.00 I 4 16 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 0.007073 0.000000 0.000000 0.00000 SCALE2 0.000000 0.007073 0.000000 0.00000 SCALE3 0.000000 0.000000 0.021406 0.00000 ATOM 1 N GLU A 1 45.077 5.327 -36.371 1.00 -8.06 N ATOM 2 1H GLU A 1 44.927 6.323 -36.464 1.00 -8.06 H ATOM 3 2H GLU A 1 44.846 5.020 -35.439 1.00 -8.06 H ATOM 4 3H GLU A 1 44.476 4.835 -37.026 1.00 -8.06 H ATOM 5 CA GLU A 1 46.498 5.004 -36.669 1.00 -8.06 C ATOM 6 HA GLU A 1 46.724 5.355 -37.676 1.00 -8.06 H ATOM 7 C GLU A 1 46.725 3.507 -36.603 1.00 -8.06 C ATOM 8 O GLU A 1 46.154 2.852 -35.737 1.00 -8.06 O ATOM 9 CB GLU A 1 47.440 5.686 -35.669 1.00 -8.06 C ATOM 10 1HB GLU A 1 47.305 5.240 -34.683 1.00 -8.06 H ATOM 11 2HB GLU A 1 48.465 5.502 -35.991 1.00 -8.06 H ATOM 12 CG GLU A 1 47.227 7.180 -35.551 1.00 -8.06 C ATOM 13 1HG GLU A 1 46.280 7.358 -35.039 1.00 -8.06 H ATOM 14 2HG GLU A 1 48.030 7.624 -34.962 1.00 -8.06 H ATOM 15 CD GLU A 1 47.161 7.817 -36.917 1.00 -8.06 C ATOM 16 OE1 GLU A 1 48.150 7.751 -37.669 1.00 -8.06 O ATOM 17 OE2 GLU A 1 46.050 8.243 -37.283 1.00 -8.06 O ATOM 18 N TRP A 2 47.575 2.994 -37.489 1.00-20.86 N ATOM 19 H TRP A 2 47.980 3.609 -38.179 1.00-20.86 H ATOM 20 CA TRP A 2 47.996 1.584 -37.531 1.00-20.86 C ATOM 21 HA TRP A 2 48.699 1.499 -38.359 1.00-20.86 H ATOM 22 C TRP A 2 46.890 0.564 -37.815 1.00-20.86 C ATOM 23 O TRP A 2 47.037 -0.624 -37.531 1.00-20.86 O ATOM 24 CB TRP A 2 48.769 1.191 -36.263 1.00-20.86 C ATOM 25 1HB TRP A 2 48.061 1.030 -35.450 1.00-20.86 H ATOM 26 2HB TRP A 2 49.299 0.257 -36.447 1.00-20.86 H ATOM 27 CG TRP A 2 49.759 2.237 -35.833 1.00-20.86 C ATOM 28 CD1 TRP A 2 49.668 3.049 -34.746 1.00-20.86 C ATOM 29 HD1 TRP A 2 48.844 3.019 -34.043 1.00-20.86 H ATOM 30 CD2 TRP A 2 50.991 2.602 -36.482 1.00-20.86 C ATOM 31 NE1 TRP A 2 50.731 3.906 -34.669 1.00-20.86 N ATOM 32 HE1 TRP A 2 50.854 4.601 -33.948 1.00-20.86 H ATOM 33 CE2 TRP A 2 51.565 3.666 -35.726 1.00-20.86 C ATOM 34 CE3 TRP A 2 51.667 2.146 -37.633 1.00-20.86 C ATOM 35 HE3 TRP A 2 51.261 1.335 -38.219 1.00-20.86 H ATOM 36 CZ2 TRP A 2 52.779 4.284 -36.094 1.00-20.86 C ATOM 37 HZ2 TRP A 2 53.188 5.093 -35.508 1.00-20.86 H ATOM 38 CZ3 TRP A 2 52.891 2.764 -38.006 1.00-20.86 C ATOM 39 HZ3 TRP A 2 53.416 2.424 -38.887 1.00-20.86 H ATOM 40 CH2 TRP A 2 53.431 3.830 -37.227 1.00-20.86 C ATOM 41 HH2 TRP A 2 54.359 4.293 -37.530 1.00-20.86 H ATOM 42 N GLU A 3 45.793 1.011 -38.407 1.00 0.20 N ATOM 43 H GLU A 3 45.675 2.004 -38.598 1.00 0.20 H ATOM 44 CA GLU A 3 44.729 0.106 -38.828 1.00 0.20 C ATOM 45 HA GLU A 3 44.391 -0.462 -37.965 1.00 0.20 H ATOM 46 C GLU A 3 45.288 -0.836 -39.901 1.00 0.20 C ATOM 47 O GLU A 3 45.970 -0.380 -40.826 1.00 0.20 O ATOM 48 CB GLU A 3 43.551 0.886 -39.423 1.00 0.20 C ATOM 49 1HB GLU A 3 43.916 1.517 -40.232 1.00 0.20 H ATOM 50 2HB GLU A 3 42.863 0.159 -39.854 1.00 0.20 H ATOM 51 CG GLU A 3 42.752 1.741 -38.435 1.00 0.20 C ATOM 52 1HG GLU A 3 41.782 1.956 -38.885 1.00 0.20 H ATOM 53 2HG GLU A 3 42.580 1.155 -37.531 1.00 0.20 H ATOM 54 CD GLU A 3 43.408 3.068 -38.050 1.00 0.20 C ATOM 55 OE1 GLU A 3 44.431 3.485 -38.648 1.00 0.20 O ATOM 56 OE2 GLU A 3 42.906 3.711 -37.106 1.00 0.20 O ATOM 57 N PRO A 4 45.035 -2.155 -39.792 1.00 0.42 N ATOM 58 CA PRO A 4 45.581 -3.020 -40.847 1.00 0.42 C ATOM 59 HA PRO A 4 46.664 -2.913 -40.887 1.00 0.42 H ATOM 60 C PRO A 4 44.967 -2.735 -42.215 1.00 0.42 C ATOM 61 O PRO A 4 43.769 -2.899 -42.406 1.00 0.42 O ATOM 62 CB PRO A 4 45.199 -4.430 -40.368 1.00 0.42 C ATOM 63 1HB PRO A 4 44.272 -4.759 -40.835 1.00 0.42 H ATOM 64 2HB PRO A 4 45.999 -5.139 -40.573 1.00 0.42 H ATOM 65 CG PRO A 4 44.995 -4.285 -38.908 1.00 0.42 C ATOM 66 1HG PRO A 4 44.369 -5.087 -38.517 1.00 0.42 H ATOM 67 2HG PRO A 4 45.959 -4.260 -38.397 1.00 0.42 H ATOM 68 CD PRO A 4 44.312 -2.958 -38.789 1.00 0.42 C ATOM 69 1HD PRO A 4 43.255 -3.037 -39.052 1.00 0.42 H ATOM 70 2HD PRO A 4 44.440 -2.555 -37.784 1.00 0.42 H ATOM 71 N VAL A 5 45.772 -2.342 -43.191 1.00 6.21 N ATOM 72 H VAL A 5 46.755 -2.225 -43.007 1.00 6.21 H ATOM 73 CA VAL A 5 45.257 -2.009 -44.523 1.00 6.21 C ATOM 74 HA VAL A 5 44.377 -1.381 -44.391 1.00 6.21 H ATOM 75 C VAL A 5 44.807 -3.246 -45.298 1.00 6.21 C ATOM 76 O VAL A 5 44.093 -3.165 -46.287 1.00 6.21 O ATOM 77 CB VAL A 5 46.297 -1.201 -45.345 1.00 6.21 C ATOM 78 HB VAL A 5 45.859 -0.958 -46.312 1.00 6.21 H ATOM 79 CG1 VAL A 5 46.631 0.119 -44.627 1.00 6.21 C ATOM 80 1HG1 VAL A 5 47.285 0.722 -45.257 1.00 6.21 H ATOM 81 2HG1 VAL A 5 47.123 -0.068 -43.671 1.00 6.21 H ATOM 82 3HG1 VAL A 5 45.713 0.677 -44.444 1.00 6.21 H ATOM 83 CG2 VAL A 5 47.596 -2.002 -45.579 1.00 6.21 C ATOM 84 1HG2 VAL A 5 48.284 -1.404 -46.178 1.00 6.21 H ATOM 85 2HG2 VAL A 5 47.373 -2.915 -46.131 1.00 6.21 H ATOM 86 3HG2 VAL A 5 48.076 -2.255 -44.634 1.00 6.21 H ATOM 87 N GLN A 6 45.195 -4.411 -44.800 1.00 13.56 N ATOM 88 H GLN A 6 45.834 -4.406 -44.010 1.00 13.56 H ATOM 89 CA GLN A 6 44.747 -5.699 -45.327 1.00 13.56 C ATOM 90 HA GLN A 6 44.685 -5.629 -46.413 1.00 13.56 H ATOM 91 C GLN A 6 43.357 -6.093 -44.812 1.00 13.56 C ATOM 92 O GLN A 6 42.855 -7.174 -45.118 1.00 13.56 O ATOM 93 CB GLN A 6 45.771 -6.791 -44.979 1.00 13.56 C ATOM 94 1HB GLN A 6 45.422 -7.728 -45.414 1.00 13.56 H ATOM 95 2HB GLN A 6 46.719 -6.542 -45.457 1.00 13.56 H ATOM 96 CG GLN A 6 46.038 -7.031 -43.486 1.00 13.56 C ATOM 97 1HG GLN A 6 45.160 -6.754 -42.903 1.00 13.56 H ATOM 98 2HG GLN A 6 46.219 -8.095 -43.341 1.00 13.56 H ATOM 99 CD GLN A 6 47.248 -6.276 -42.965 1.00 13.56 C ATOM 100 OE1 GLN A 6 47.294 -5.055 -42.971 1.00 13.56 O ATOM 101 NE2 GLN A 6 48.233 -6.996 -42.501 1.00 13.56 N ATOM 102 1HE2 GLN A 6 49.047 -6.520 -42.151 1.00 13.56 H ATOM 103 2HE2 GLN A 6 48.177 -8.000 -42.505 1.00 13.56 H ATOM 104 N ASN A 7 42.733 -5.243 -44.010 1.00 -0.48 N ATOM 105 H ASN A 7 43.164 -4.354 -43.772 1.00 -0.48 H ATOM 106 CA ASN A 7 41.384 -5.509 -43.517 1.00 -0.48 C ATOM 107 HA ASN A 7 41.306 -6.547 -43.195 1.00 -0.48 H ATOM 108 C ASN A 7 40.351 -5.279 -44.621 1.00 -0.48 C ATOM 109 O ASN A 7 39.911 -4.161 -44.844 1.00 -0.48 O ATOM 110 CB ASN A 7 41.061 -4.595 -42.333 1.00 -0.48 C ATOM 111 1HB ASN A 7 41.713 -4.834 -41.496 1.00 -0.48 H ATOM 112 2HB ASN A 7 41.245 -3.566 -42.628 1.00 -0.48 H ATOM 113 CG ASN A 7 39.624 -4.696 -41.903 1.00 -0.48 C ATOM 114 OD1 ASN A 7 38.989 -5.734 -42.033 1.00 -0.48 O ATOM 115 ND2 ASN A 7 39.085 -3.611 -41.426 1.00 -0.48 N ATOM 116 1HD2 ASN A 7 38.122 -3.629 -41.139 1.00 -0.48 H ATOM 117 2HD2 ASN A 7 39.626 -2.759 -41.381 1.00 -0.48 H ATOM 118 N GLY A 8 39.917 -6.350 -45.271 1.00 -9.38 N ATOM 119 H GLY A 8 40.317 -7.251 -45.055 1.00 -9.38 H ATOM 120 CA GLY A 8 38.904 -6.253 -46.314 1.00 -9.38 C ATOM 121 1HA GLY A 8 39.269 -5.564 -47.077 1.00 -9.38 H ATOM 122 2HA GLY A 8 38.784 -7.233 -46.773 1.00 -9.38 H ATOM 123 C GLY A 8 37.532 -5.760 -45.881 1.00 -9.38 C ATOM 124 O GLY A 8 36.675 -5.509 -46.720 1.00 -9.38 O ATOM 125 N GLY A 9 37.315 -5.585 -44.583 1.00-13.21 N ATOM 126 H GLY A 9 38.041 -5.809 -43.911 1.00-13.21 H ATOM 127 CA GLY A 9 36.075 -5.011 -44.090 1.00-13.21 C ATOM 128 1HA GLY A 9 35.244 -5.372 -44.695 1.00-13.21 H ATOM 129 2HA GLY A 9 35.921 -5.335 -43.061 1.00-13.21 H ATOM 130 C GLY A 9 36.070 -3.492 -44.123 1.00-13.21 C ATOM 131 O GLY A 9 35.115 -2.872 -43.658 1.00-13.21 O ATOM 132 N SER A 10 37.127 -2.864 -44.622 1.00 3.65 N ATOM 133 H SER A 10 37.928 -3.390 -44.970 1.00 3.65 H ATOM 134 CA SER A 10 37.195 -1.408 -44.724 1.00 3.65 C ATOM 135 HA SER A 10 36.190 -0.996 -44.799 1.00 3.65 H ATOM 136 C SER A 10 37.982 -1.023 -45.970 1.00 3.65 C ATOM 137 O SER A 10 38.774 -1.811 -46.469 1.00 3.65 O ATOM 138 CB SER A 10 37.877 -0.833 -43.483 1.00 3.65 C ATOM 139 1HB SER A 10 38.884 -1.238 -43.407 1.00 3.65 H ATOM 140 2HB SER A 10 37.929 0.253 -43.564 1.00 3.65 H ATOM 141 OG SER A 10 37.136 -1.194 -42.328 1.00 3.65 O ATOM 142 HG SER A 10 36.328 -1.645 -42.623 1.00 3.65 H ATOM 143 N SER A 11 37.760 0.178 -46.484 1.00 3.55 N ATOM 144 H SER A 11 37.095 0.795 -46.053 1.00 3.55 H ATOM 145 CA SER A 11 38.529 0.664 -47.627 1.00 3.55 C ATOM 146 HA SER A 11 38.871 -0.178 -48.228 1.00 3.55 H ATOM 147 C SER A 11 39.722 1.424 -47.069 1.00 3.55 C ATOM 148 O SER A 11 39.608 2.073 -46.031 1.00 3.55 O ATOM 149 CB SER A 11 37.682 1.594 -48.500 1.00 3.55 C ATOM 150 1HB SER A 11 36.786 1.058 -48.813 1.00 3.55 H ATOM 151 2HB SER A 11 37.388 2.466 -47.916 1.00 3.55 H ATOM 152 OG SER A 11 38.387 2.013 -49.659 1.00 3.55 O ATOM 153 HG SER A 11 39.106 2.602 -49.399 1.00 3.55 H ATOM 154 N TYR A 12 40.840 1.376 -47.776 1.00 12.05 N ATOM 155 H TYR A 12 40.867 0.853 -48.640 1.00 12.05 H ATOM 156 CA TYR A 12 42.057 2.084 -47.396 1.00 12.05 C ATOM 157 HA TYR A 12 41.840 2.853 -46.656 1.00 12.05 H ATOM 158 C TYR A 12 42.517 2.741 -48.682 1.00 12.05 C ATOM 159 O TYR A 12 42.069 2.346 -49.758 1.00 12.05 O ATOM 160 CB TYR A 12 43.103 1.119 -46.832 1.00 12.05 C ATOM 161 1HB TYR A 12 43.283 0.318 -47.549 1.00 12.05 H ATOM 162 2HB TYR A 12 44.034 1.661 -46.670 1.00 12.05 H ATOM 163 CG TYR A 12 42.660 0.526 -45.513 1.00 12.05 C ATOM 164 CD1 TYR A 12 41.939 -0.684 -45.466 1.00 12.05 C ATOM 165 HD1 TYR A 12 41.734 -1.233 -46.376 1.00 12.05 H ATOM 166 CD2 TYR A 12 42.922 1.197 -44.300 1.00 12.05 C ATOM 167 HD2 TYR A 12 43.479 2.123 -44.306 1.00 12.05 H ATOM 168 CE1 TYR A 12 41.459 -1.192 -44.238 1.00 12.05 C ATOM 169 HE1 TYR A 12 40.890 -2.101 -44.224 1.00 12.05 H ATOM 170 CE2 TYR A 12 42.449 0.680 -43.065 1.00 12.05 C ATOM 171 HE2 TYR A 12 42.650 1.209 -42.149 1.00 12.05 H ATOM 172 CZ TYR A 12 41.710 -0.506 -43.049 1.00 12.05 C ATOM 173 OH TYR A 12 41.217 -0.993 -41.862 1.00 12.05 O ATOM 174 HH TYR A 12 41.476 -0.449 -41.116 1.00 12.05 H ATOM 175 N TYR A 13 43.348 3.767 -48.574 1.00-20.00 N ATOM 176 H TYR A 13 43.768 3.993 -47.685 1.00-20.00 H ATOM 177 CA TYR A 13 43.672 4.628 -49.705 1.00-20.00 C ATOM 178 HA TYR A 13 43.435 4.124 -50.642 1.00-20.00 H ATOM 179 C TYR A 13 45.157 4.941 -49.648 1.00-20.00 C ATOM 180 O TYR A 13 45.768 4.811 -48.588 1.00-20.00 O ATOM 181 CB TYR A 13 42.867 5.928 -49.604 1.00-20.00 C ATOM 182 1HB TYR A 13 43.214 6.487 -48.734 1.00-20.00 H ATOM 183 2HB TYR A 13 43.049 6.531 -50.493 1.00-20.00 H ATOM 184 CG TYR A 13 41.375 5.695 -49.459 1.00-20.00 C ATOM 185 CD1 TYR A 13 40.758 5.724 -48.188 1.00-20.00 C ATOM 186 HD1 TYR A 13 41.349 5.935 -47.307 1.00-20.00 H ATOM 187 CD2 TYR A 13 40.574 5.419 -50.586 1.00-20.00 C ATOM 188 HD2 TYR A 13 41.023 5.382 -51.568 1.00-20.00 H ATOM 189 CE1 TYR A 13 39.369 5.467 -48.046 1.00-20.00 C ATOM 190 HE1 TYR A 13 38.908 5.478 -47.069 1.00-20.00 H ATOM 191 CE2 TYR A 13 39.180 5.171 -50.446 1.00-20.00 C ATOM 192 HE2 TYR A 13 38.579 4.955 -51.316 1.00-20.00 H ATOM 193 CZ TYR A 13 38.595 5.205 -49.177 1.00-20.00 C ATOM 194 OH TYR A 13 37.251 4.969 -49.036 1.00-20.00 O ATOM 195 HH TYR A 13 36.821 4.783 -49.873 1.00-20.00 H ATOM 196 N MET A 14 45.730 5.368 -50.763 1.00-10.94 N ATOM 197 H MET A 14 45.189 5.450 -51.606 1.00-10.94 H ATOM 198 CA MET A 14 47.120 5.812 -50.772 1.00-10.94 C ATOM 199 HA MET A 14 47.746 5.081 -50.260 1.00-10.94 H ATOM 200 C MET A 14 47.199 7.136 -50.026 1.00-10.94 C ATOM 201 O MET A 14 46.263 7.933 -50.063 1.00-10.94 O ATOM 202 CB MET A 14 47.628 6.019 -52.202 1.00-10.94 C ATOM 203 1HB MET A 14 46.962 6.716 -52.712 1.00-10.94 H ATOM 204 2HB MET A 14 48.617 6.472 -52.153 1.00-10.94 H ATOM 205 CG MET A 14 47.721 4.736 -53.020 1.00-10.94 C ATOM 206 1HG MET A 14 46.728 4.294 -53.099 1.00-10.94 H ATOM 207 2HG MET A 14 48.071 4.983 -54.022 1.00-10.94 H ATOM 208 SD MET A 14 48.841 3.512 -52.291 1.00-10.94 S ATOM 209 CE MET A 14 50.482 4.261 -52.520 1.00-10.94 C ATOM 210 1HE MET A 14 51.247 3.575 -52.157 1.00-10.94 H ATOM 211 2HE MET A 14 50.548 5.195 -51.960 1.00-10.94 H ATOM 212 3HE MET A 14 50.652 4.460 -53.578 1.00-10.94 H ATOM 213 N VAL A 15 48.330 7.369 -49.379 1.00-11.32 N ATOM 214 H VAL A 15 49.080 6.694 -49.410 1.00-11.32 H ATOM 215 CA VAL A 15 48.603 8.601 -48.647 1.00-11.32 C ATOM 216 HA VAL A 15 47.882 9.372 -48.918 1.00-11.32 H ATOM 217 C VAL A 15 49.988 9.004 -49.145 1.00-11.32 C ATOM 218 O VAL A 15 50.699 8.140 -49.676 1.00-11.32 O ATOM 219 CB VAL A 15 48.571 8.378 -47.100 1.00-11.32 C ATOM 220 HB VAL A 15 48.868 9.304 -46.611 1.00-11.32 H ATOM 221 CG1 VAL A 15 47.147 8.035 -46.637 1.00-11.32 C ATOM 222 1HG1 VAL A 15 47.118 7.976 -45.549 1.00-11.32 H ATOM 223 2HG1 VAL A 15 46.830 7.078 -47.056 1.00-11.32 H ATOM 224 3HG1 VAL A 15 46.456 8.811 -46.967 1.00-11.32 H ATOM 225 CG2 VAL A 15 49.537 7.265 -46.652 1.00-11.32 C ATOM 226 1HG2 VAL A 15 49.524 7.190 -45.564 1.00-11.32 H ATOM 227 2HG2 VAL A 15 50.556 7.509 -46.962 1.00-11.32 H ATOM 228 3HG2 VAL A 15 49.245 6.305 -47.077 1.00-11.32 H ATOM 229 N PRO A 16 50.376 10.285 -49.022 1.00 4.03 N ATOM 230 CA PRO A 16 51.729 10.586 -49.502 1.00 4.03 C ATOM 231 HA PRO A 16 51.872 10.229 -50.522 1.00 4.03 H ATOM 232 C PRO A 16 52.810 10.009 -48.595 1.00 4.03 C ATOM 233 O PRO A 16 52.581 9.756 -47.413 1.00 4.03 O ATOM 234 CB PRO A 16 51.759 12.112 -49.472 1.00 4.03 C ATOM 235 1HB PRO A 16 52.770 12.473 -49.296 1.00 4.03 H ATOM 236 2HB PRO A 16 51.365 12.512 -50.407 1.00 4.03 H ATOM 237 CG PRO A 16 50.869 12.472 -48.356 1.00 4.03 C ATOM 238 1HG PRO A 16 51.384 12.325 -47.405 1.00 4.03 H ATOM 239 2HG PRO A 16 50.524 13.501 -48.449 1.00 4.03 H ATOM 240 CD PRO A 16 49.724 11.500 -48.490 1.00 4.03 C ATOM 241 1HD PRO A 16 49.268 11.314 -47.518 1.00 4.03 H ATOM 242 2HD PRO A 16 48.986 11.873 -49.203 1.00 4.03 H ATOM 243 N ARG A 17 54.003 9.815 -49.138 1.00-12.01 N ATOM 244 H ARG A 17 54.146 10.043 -50.131 1.00-12.01 H ATOM 245 CA ARG A 17 55.124 9.301 -48.351 1.00-12.01 C ATOM 246 HA ARG A 17 54.781 8.451 -47.760 1.00-12.01 H ATOM 247 C ARG A 17 55.645 10.366 -47.392 1.00-12.01 C ATOM 248 O ARG A 17 55.978 10.073 -46.248 1.00-12.01 O ATOM 249 CB ARG A 17 56.241 8.862 -49.302 1.00-12.01 C ATOM 250 1HB ARG A 17 55.812 8.199 -50.053 1.00-12.01 H ATOM 251 2HB ARG A 17 56.633 9.743 -49.811 1.00-12.01 H ATOM 252 CG ARG A 17 57.393 8.141 -48.624 1.00-12.01 C ATOM 253 1HG ARG A 17 57.818 8.778 -47.849 1.00-12.01 H ATOM 254 2HG ARG A 17 57.025 7.221 -48.169 1.00-12.01 H ATOM 255 CD ARG A 17 58.475 7.810 -49.635 1.00-12.01 C ATOM 256 1HD ARG A 17 58.043 7.196 -50.426 1.00-12.01 H ATOM 257 2HD ARG A 17 58.844 8.741 -50.069 1.00-12.01 H ATOM 258 NE ARG A 17 59.592 7.088 -49.007 1.00-12.01 N ATOM 259 HE ARG A 17 59.494 6.895 -48.022 1.00-12.01 H ATOM 260 CZ ARG A 17 60.699 6.676 -49.611 1.00-12.01 C ATOM 261 NH1 ARG A 17 61.606 6.058 -48.906 1.00-12.01 N ATOM 262 1HH1 ARG A 17 61.463 5.905 -47.920 1.00-12.01 H ATOM 263 2HH1 ARG A 17 62.454 5.738 -49.344 1.00-12.01 H ATOM 264 NH2 ARG A 17 60.937 6.859 -50.886 1.00-12.01 N ATOM 265 1HH2 ARG A 17 60.250 7.332 -51.453 1.00-12.01 H ATOM 266 2HH2 ARG A 17 61.797 6.537 -51.297 1.00-12.01 H ATOM 267 N ILE A 18 55.770 11.584 -47.898 1.00-13.58 N ATOM 268 H ILE A 18 55.566 11.714 -48.888 1.00-13.58 H ATOM 269 CA ILE A 18 56.244 12.735 -47.117 1.00-13.58 C ATOM 270 HA ILE A 18 56.246 12.482 -46.056 1.00-13.58 H ATOM 271 C ILE A 18 55.303 13.919 -47.347 1.00-13.58 C ATOM 272 O ILE A 18 54.862 14.593 -46.420 1.00-13.58 O ATOM 273 CB ILE A 18 57.695 13.158 -47.545 1.00-13.58 C ATOM 274 HB ILE A 18 57.673 13.450 -48.595 1.00-13.58 H ATOM 275 CG1 ILE A 18 58.678 11.974 -47.404 1.00-13.58 C ATOM 276 1HG1 ILE A 18 58.775 11.727 -46.346 1.00-13.58 H ATOM 277 2HG1 ILE A 18 58.264 11.108 -47.913 1.00-13.58 H ATOM 278 CG2 ILE A 18 58.190 14.371 -46.707 1.00-13.58 C ATOM 279 1HG2 ILE A 18 59.170 14.700 -47.051 1.00-13.58 H ATOM 280 2HG2 ILE A 18 58.248 14.098 -45.651 1.00-13.58 H ATOM 281 3HG2 ILE A 18 57.502 15.211 -46.813 1.00-13.58 H ATOM 282 CD1 ILE A 18 60.084 12.196 -47.986 1.00-13.58 C ATOM 283 1HD1 ILE A 18 60.647 11.266 -47.929 1.00-13.58 H ATOM 284 2HD1 ILE A 18 60.613 12.960 -47.416 1.00-13.58 H ATOM 285 3HD1 ILE A 18 60.008 12.506 -49.029 1.00-13.58 H ATOM 286 N TRP A 19 55.020 14.167 -48.617 1.00-21.38 N ATOM 287 H TRP A 19 55.372 13.523 -49.322 1.00-21.38 H ATOM 288 CA TRP A 19 54.208 15.300 -49.072 1.00-21.38 C ATOM 289 HA TRP A 19 53.384 15.482 -48.382 1.00-21.38 H ATOM 290 C TRP A 19 53.658 14.898 -50.434 1.00-21.38 C ATOM 291 O TRP A 19 52.489 15.089 -50.752 1.00-21.38 O ATOM 292 CB TRP A 19 55.077 16.554 -49.202 1.00-21.38 C ATOM 293 1HB TRP A 19 55.563 16.745 -48.245 1.00-21.38 H ATOM 294 2HB TRP A 19 55.848 16.382 -49.952 1.00-21.38 H ATOM 295 CG TRP A 19 54.290 17.767 -49.589 1.00-21.38 C ATOM 296 CD1 TRP A 19 53.678 18.645 -48.752 1.00-21.38 C ATOM 297 HD1 TRP A 19 53.693 18.559 -47.673 1.00-21.38 H ATOM 298 CD2 TRP A 19 54.007 18.244 -50.919 1.00-21.38 C ATOM 299 NE1 TRP A 19 53.034 19.634 -49.445 1.00-21.38 N ATOM 300 HE1 TRP A 19 52.512 20.384 -49.017 1.00-21.38 H ATOM 301 CE2 TRP A 19 53.218 19.423 -50.784 1.00-21.38 C ATOM 302 CE3 TRP A 19 54.333 17.791 -52.215 1.00-21.38 C ATOM 303 HE3 TRP A 19 54.913 16.892 -52.349 1.00-21.38 H ATOM 304 CZ2 TRP A 19 52.763 20.159 -51.898 1.00-21.38 C ATOM 305 HZ2 TRP A 19 52.164 21.047 -51.768 1.00-21.38 H ATOM 306 CZ3 TRP A 19 53.873 18.525 -53.340 1.00-21.38 C ATOM 307 HZ3 TRP A 19 54.110 18.182 -54.337 1.00-21.38 H ATOM 308 CH2 TRP A 19 53.091 19.705 -53.164 1.00-21.38 C ATOM 309 HH2 TRP A 19 52.745 20.248 -54.032 1.00-21.38 H ATOM 310 N ALA A 20 54.523 14.198 -51.155 1.00 -0.23 N ATOM 311 H ALA A 20 55.496 14.190 -50.894 1.00 -0.23 H ATOM 312 CA ALA A 20 54.153 13.206 -52.152 1.00 -0.23 C ATOM 313 HA ALA A 20 53.071 13.079 -52.207 1.00 -0.23 H ATOM 314 C ALA A 20 54.803 11.974 -51.522 1.00 -0.23 C ATOM 315 O ALA A 20 54.418 10.820 -51.770 1.00 -0.23 O ATOM 316 OXT ALA A 20 55.685 12.236 -50.664 1.00 -0.23 O ATOM 317 CB ALA A 20 54.749 13.553 -53.523 1.00 -0.23 C ATOM 318 1HB ALA A 20 54.312 14.485 -53.884 1.00 -0.23 H ATOM 319 2HB ALA A 20 54.520 12.751 -54.226 1.00 -0.23 H ATOM 320 3HB ALA A 20 55.831 13.660 -53.441 1.00 -0.23 H TER 321 ALA A 20 END
SEQUENCE	EWEPVQNGGSSYYMVPRIWA
HELICITY	40.00	INSTAB. INDEX	56.02	FLEXIBILITY	12.09
a HYD. MOM.	28.60	b HYD. MOM.	11.03	c HYD. MOM	3.56
a MEAN HYD. MOM.	1.43	b MEAN HYD. MOM.	0.55	c MEAN HYD. MOM.	0.18
CHARGE pH5	-0.70	CHARGE pH7	-1.00	CHARGE pH9	-1.35
Δ CHARGE pH5-pH9	0.66	ISOELECTRIC POINT	4.53	BOMAN INDEX	1.21
ΔG	6	CPP	-0,60	MLP	-2,75
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	Alternaria brassicae = 10; Aspergillus niger = 10; Fusarium oxysporum = 10; Rhizoctonia cerealis = 10
MIC OTHER gram+
MIC OTHER gram-
PHYLUM	Magnoliophyta	CLASS	Magnoliopsida	ORDER	Fabales
FAMILY	Fabaceae	GENUS	Cullen	SPECIES	Cullen corylifolia
DATE	2006
TITLE PAPER	Psc-AFP, an antifungal protein with trypsin inhibitor activity from Psoralea corylifolia seeds.