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ID	296	NAME	Kassorin S   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\FLGGILNTITGLL.pdb REMARK YASARA Written on: Wed May 14 16:20:09 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 200 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA SEQRES 1 13 PHE LEU GLY GLY ILE LEU ASN THR ILE THR GLY LEU LEU ATOM 1 N PHE 1 -5.301 -10.370 19.572 1.00 -0.42 N ATOM 2 1H PHE 1 -6.050 -9.972 20.123 1.00 -0.42 H ATOM 3 2H PHE 1 -4.422 -10.224 20.047 1.00 -0.42 H ATOM 4 3H PHE 1 -5.282 -9.922 18.667 1.00 0.27 H ATOM 5 CA PHE 1 -5.534 -11.827 19.400 1.00 -0.00 C ATOM 6 HA PHE 1 -6.476 -11.976 18.877 1.00 0.10 H ATOM 7 C PHE 1 -5.628 -12.501 20.756 1.00 0.60 C ATOM 8 O PHE 1 -5.302 -11.876 21.759 1.00 -0.57 O ATOM 9 CB PHE 1 -4.405 -12.437 18.563 1.00 -0.03 C ATOM 10 1HB PHE 1 -4.429 -13.522 18.655 1.00 0.03 H ATOM 11 2HB PHE 1 -4.578 -12.186 17.516 1.00 0.03 H ATOM 12 CG PHE 1 -3.035 -11.937 18.942 1.00 0.01 C ATOM 13 CD1 PHE 1 -2.382 -10.987 18.133 1.00 -0.13 C ATOM 14 HD1 PHE 1 -2.845 -10.639 17.220 1.00 0.13 H ATOM 15 CD2 PHE 1 -2.396 -12.397 20.108 1.00 -0.13 C ATOM 16 HD2 PHE 1 -2.875 -13.129 20.738 1.00 0.13 H ATOM 17 CE1 PHE 1 -1.110 -10.480 18.495 1.00 -0.17 C ATOM 18 HE1 PHE 1 -0.615 -9.753 17.867 1.00 0.14 H ATOM 19 CE2 PHE 1 -1.125 -11.900 20.483 1.00 -0.17 C ATOM 20 HE2 PHE 1 -0.643 -12.261 21.381 1.00 0.14 H ATOM 21 CZ PHE 1 -0.482 -10.937 19.675 1.00 -0.11 C ATOM 22 HZ PHE 1 0.493 -10.559 19.953 1.00 0.13 H ATOM 23 N LEU 2 -6.077 -13.754 20.768 1.00 -0.42 N ATOM 24 H LEU 2 -6.416 -14.133 19.885 1.00 0.27 H ATOM 25 CA LEU 2 -6.156 -14.674 21.919 1.00 -0.05 C ATOM 26 HA LEU 2 -6.630 -15.578 21.535 1.00 0.09 H ATOM 27 C LEU 2 -6.978 -14.324 23.166 1.00 0.60 C ATOM 28 O LEU 2 -7.798 -15.130 23.588 1.00 -0.57 O ATOM 29 CB LEU 2 -4.745 -15.088 22.368 1.00 -0.11 C ATOM 30 1HB LEU 2 -4.220 -14.190 22.688 1.00 0.05 H ATOM 31 2HB LEU 2 -4.855 -15.729 23.243 1.00 0.05 H ATOM 32 CG LEU 2 -3.848 -15.828 21.361 1.00 0.35 C ATOM 33 HG LEU 2 -3.767 -15.227 20.457 1.00 -0.04 H ATOM 34 CD1 LEU 2 -2.448 -15.987 21.948 1.00 -0.41 C ATOM 35 1HD1 LEU 2 -1.796 -16.470 21.218 1.00 0.10 H ATOM 36 2HD1 LEU 2 -2.030 -15.010 22.192 1.00 0.10 H ATOM 37 3HD1 LEU 2 -2.483 -16.598 22.852 1.00 0.10 H ATOM 38 CD2 LEU 2 -4.397 -17.201 20.974 1.00 -0.41 C ATOM 39 1HD2 LEU 2 -5.355 -17.096 20.466 1.00 0.10 H ATOM 40 2HD2 LEU 2 -3.703 -17.698 20.294 1.00 0.10 H ATOM 41 3HD2 LEU 2 -4.527 -17.822 21.863 1.00 0.10 H ATOM 42 N GLY 3 -6.776 -13.161 23.763 1.00 -0.42 N ATOM 43 H GLY 3 -6.129 -12.502 23.337 1.00 0.27 H ATOM 44 CA GLY 3 -7.371 -12.828 25.053 1.00 -0.03 C ATOM 45 1HA GLY 3 -7.196 -13.669 25.724 1.00 0.07 H ATOM 46 2HA GLY 3 -6.821 -11.981 25.463 1.00 0.07 H ATOM 47 C GLY 3 -8.849 -12.487 25.138 1.00 0.60 C ATOM 48 O GLY 3 -9.198 -11.401 25.595 1.00 -0.57 O ATOM 49 N GLY 4 -9.729 -13.376 24.700 1.00 -0.42 N ATOM 50 H GLY 4 -9.386 -14.253 24.312 1.00 0.27 H ATOM 51 CA GLY 4 -11.166 -13.142 24.790 1.00 -0.03 C ATOM 52 1HA GLY 4 -11.701 -14.034 24.466 1.00 0.07 H ATOM 53 2HA GLY 4 -11.419 -12.948 25.833 1.00 0.07 H ATOM 54 C GLY 4 -11.629 -11.964 23.958 1.00 0.60 C ATOM 55 O GLY 4 -11.618 -12.023 22.731 1.00 -0.57 O ATOM 56 N ILE 5 -11.952 -10.854 24.607 1.00 -0.42 N ATOM 57 H ILE 5 -11.908 -10.844 25.616 1.00 0.27 H ATOM 58 CA ILE 5 -12.326 -9.619 23.912 1.00 -0.06 C ATOM 59 HA ILE 5 -13.163 -9.822 23.243 1.00 0.09 H ATOM 60 C ILE 5 -11.139 -9.156 23.067 1.00 0.60 C ATOM 61 O ILE 5 -11.302 -8.708 21.932 1.00 -0.57 O ATOM 62 CB ILE 5 -12.741 -8.503 24.922 1.00 0.13 C ATOM 63 HB ILE 5 -11.890 -8.307 25.576 1.00 0.02 H ATOM 64 CG1 ILE 5 -13.915 -8.970 25.813 1.00 -0.04 C ATOM 65 1HG1 ILE 5 -13.593 -9.835 26.392 1.00 0.02 H ATOM 66 2HG1 ILE 5 -14.128 -8.171 26.525 1.00 0.02 H ATOM 67 CG2 ILE 5 -13.096 -7.183 24.195 1.00 -0.32 C ATOM 68 1HG2 ILE 5 -13.848 -7.358 23.422 1.00 0.09 H ATOM 69 2HG2 ILE 5 -13.483 -6.455 24.910 1.00 0.09 H ATOM 70 3HG2 ILE 5 -12.207 -6.760 23.727 1.00 0.09 H ATOM 71 CD1 ILE 5 -15.243 -9.336 25.104 1.00 -0.07 C ATOM 72 1HD1 ILE 5 -15.094 -10.171 24.419 1.00 0.02 H ATOM 73 2HD1 ILE 5 -15.980 -9.626 25.853 1.00 0.02 H ATOM 74 3HD1 ILE 5 -15.629 -8.478 24.553 1.00 0.02 H ATOM 75 N LEU 6 -9.926 -9.380 23.554 1.00 -0.42 N ATOM 76 H LEU 6 -9.820 -9.825 24.463 1.00 0.27 H ATOM 77 CA LEU 6 -8.724 -9.019 22.803 1.00 -0.05 C ATOM 78 HA LEU 6 -8.820 -7.983 22.482 1.00 0.09 H ATOM 79 C LEU 6 -8.551 -9.874 21.550 1.00 0.60 C ATOM 80 O LEU 6 -7.790 -9.521 20.656 1.00 -0.57 O ATOM 81 CB LEU 6 -7.471 -9.137 23.674 1.00 -0.11 C ATOM 82 1HB LEU 6 -7.356 -10.180 23.950 1.00 0.05 H ATOM 83 2HB LEU 6 -6.611 -8.862 23.063 1.00 0.05 H ATOM 84 CG LEU 6 -7.419 -8.298 24.961 1.00 0.35 C ATOM 85 HG LEU 6 -8.289 -8.537 25.571 1.00 -0.04 H ATOM 86 CD1 LEU 6 -6.170 -8.667 25.755 1.00 -0.41 C ATOM 87 1HD1 LEU 6 -6.144 -8.094 26.683 1.00 0.10 H ATOM 88 2HD1 LEU 6 -6.191 -9.727 26.009 1.00 0.10 H ATOM 89 3HD1 LEU 6 -5.270 -8.448 25.178 1.00 0.10 H ATOM 90 CD2 LEU 6 -7.425 -6.794 24.681 1.00 -0.41 C ATOM 91 1HD2 LEU 6 -6.583 -6.521 24.044 1.00 0.10 H ATOM 92 2HD2 LEU 6 -8.356 -6.506 24.193 1.00 0.10 H ATOM 93 3HD2 LEU 6 -7.351 -6.246 25.622 1.00 0.10 H ATOM 94 N ASN 7 -9.275 -10.981 21.444 1.00 -0.42 N ATOM 95 H ASN 7 -9.885 -11.266 22.201 1.00 0.27 H ATOM 96 CA ASN 7 -9.302 -11.736 20.197 1.00 0.01 C ATOM 97 HA ASN 7 -8.350 -11.615 19.690 1.00 0.10 H ATOM 98 C ASN 7 -10.390 -11.224 19.264 1.00 0.60 C ATOM 99 O ASN 7 -10.213 -11.238 18.057 1.00 -0.57 O ATOM 100 CB ASN 7 -9.545 -13.226 20.438 1.00 -0.20 C ATOM 101 1HB ASN 7 -8.940 -13.560 21.275 1.00 0.08 H ATOM 102 2HB ASN 7 -10.595 -13.382 20.682 1.00 0.08 H ATOM 103 CG ASN 7 -9.192 -14.053 19.230 1.00 0.71 C ATOM 104 OD1 ASN 7 -8.073 -13.976 18.739 1.00 -0.59 O ATOM 105 ND2 ASN 7 -10.107 -14.846 18.753 1.00 -0.92 N ATOM 106 1HD2 ASN 7 -9.887 -15.397 17.940 1.00 0.42 H ATOM 107 2HD2 ASN 7 -11.015 -14.900 19.180 1.00 0.42 H ATOM 108 N THR 8 -11.508 -10.764 19.809 1.00 -0.42 N ATOM 109 H THR 8 -11.621 -10.759 20.815 1.00 0.27 H ATOM 110 CA THR 8 -12.613 -10.294 18.966 1.00 -0.04 C ATOM 111 HA THR 8 -12.805 -11.055 18.209 1.00 0.10 H ATOM 112 C THR 8 -12.252 -9.011 18.229 1.00 0.60 C ATOM 113 O THR 8 -12.621 -8.837 17.079 1.00 -0.57 O ATOM 114 CB THR 8 -13.928 -10.065 19.756 1.00 0.37 C ATOM 115 HB THR 8 -14.705 -9.742 19.062 1.00 0.00 H ATOM 116 OG1 THR 8 -13.757 -9.061 20.761 1.00 -0.68 O ATOM 117 HG1 THR 8 -12.847 -9.065 21.081 1.00 0.41 H ATOM 118 CG2 THR 8 -14.390 -11.331 20.459 1.00 -0.24 C ATOM 119 1HG2 THR 8 -14.508 -12.137 19.734 1.00 0.06 H ATOM 120 2HG2 THR 8 -13.678 -11.627 21.226 1.00 0.06 H ATOM 121 3HG2 THR 8 -15.354 -11.138 20.930 1.00 0.06 H ATOM 122 N ILE 9 -11.443 -8.156 18.840 1.00 -0.42 N ATOM 123 H ILE 9 -11.165 -8.321 19.800 1.00 0.27 H ATOM 124 CA ILE 9 -10.975 -6.934 18.177 1.00 -0.06 C ATOM 125 HA ILE 9 -11.833 -6.471 17.687 1.00 0.09 H ATOM 126 C ILE 9 -9.935 -7.202 17.083 1.00 0.60 C ATOM 127 O ILE 9 -9.496 -6.288 16.401 1.00 -0.57 O ATOM 128 CB ILE 9 -10.422 -5.910 19.210 1.00 0.13 C ATOM 129 HB ILE 9 -10.143 -5.003 18.672 1.00 0.02 H ATOM 130 CG1 ILE 9 -9.167 -6.462 19.912 1.00 -0.04 C ATOM 131 1HG1 ILE 9 -9.457 -7.324 20.504 1.00 0.02 H ATOM 132 2HG1 ILE 9 -8.462 -6.798 19.155 1.00 0.02 H ATOM 133 CG2 ILE 9 -11.537 -5.540 20.226 1.00 -0.32 C ATOM 134 1HG2 ILE 9 -11.773 -6.382 20.874 1.00 0.09 H ATOM 135 2HG2 ILE 9 -11.215 -4.698 20.839 1.00 0.09 H ATOM 136 3HG2 ILE 9 -12.439 -5.241 19.689 1.00 0.09 H ATOM 137 CD1 ILE 9 -8.427 -5.479 20.826 1.00 -0.07 C ATOM 138 1HD1 ILE 9 -8.164 -4.580 20.267 1.00 0.02 H ATOM 139 2HD1 ILE 9 -9.052 -5.208 21.677 1.00 0.02 H ATOM 140 3HD1 ILE 9 -7.514 -5.948 21.195 1.00 0.02 H ATOM 141 N THR 10 -9.552 -8.460 16.908 1.00 -0.42 N ATOM 142 H THR 10 -9.890 -9.176 17.536 1.00 0.27 H ATOM 143 CA THR 10 -8.682 -8.882 15.810 1.00 -0.04 C ATOM 144 HA THR 10 -8.513 -8.046 15.132 1.00 0.10 H ATOM 145 C THR 10 -9.379 -9.986 15.018 1.00 0.60 C ATOM 146 O THR 10 -8.731 -10.788 14.358 1.00 -0.57 O ATOM 147 CB THR 10 -7.306 -9.377 16.317 1.00 0.37 C ATOM 148 HB THR 10 -6.719 -9.742 15.474 1.00 0.00 H ATOM 149 OG1 THR 10 -7.484 -10.425 17.277 1.00 -0.68 O ATOM 150 HG1 THR 10 -8.100 -11.064 16.891 1.00 0.41 H ATOM 151 CG2 THR 10 -6.531 -8.266 17.013 1.00 -0.24 C ATOM 152 1HG2 THR 10 -5.496 -8.571 17.141 1.00 0.06 H ATOM 153 2HG2 THR 10 -6.555 -7.362 16.398 1.00 0.06 H ATOM 154 3HG2 THR 10 -6.980 -8.050 17.981 1.00 0.06 H ATOM 155 N GLY 11 -10.699 -10.048 15.138 1.00 -0.42 N ATOM 156 H GLY 11 -11.188 -9.395 15.743 1.00 0.27 H ATOM 157 CA GLY 11 -11.505 -11.030 14.423 1.00 -0.03 C ATOM 158 1HA GLY 11 -10.944 -11.421 13.574 1.00 0.07 H ATOM 159 2HA GLY 11 -11.773 -11.847 15.091 1.00 0.07 H ATOM 160 C GLY 11 -12.770 -10.373 13.907 1.00 0.60 C ATOM 161 O GLY 11 -13.788 -11.016 13.662 1.00 -0.57 O ATOM 162 N LEU 12 -12.689 -9.055 13.799 1.00 -0.42 N ATOM 163 H LEU 12 -11.812 -8.604 14.010 1.00 0.27 H ATOM 164 CA LEU 12 -13.783 -8.188 13.367 1.00 -0.05 C ATOM 165 HA LEU 12 -14.375 -8.690 12.603 1.00 0.09 H ATOM 166 C LEU 12 -13.049 -6.989 12.766 1.00 0.60 C ATOM 167 O LEU 12 -13.352 -5.824 13.022 1.00 -0.57 O ATOM 168 CB LEU 12 -14.658 -7.801 14.569 1.00 -0.11 C ATOM 169 1HB LEU 12 -14.857 -8.713 15.130 1.00 0.05 H ATOM 170 2HB LEU 12 -14.065 -7.152 15.213 1.00 0.05 H ATOM 171 CG LEU 12 -16.013 -7.117 14.322 1.00 0.35 C ATOM 172 HG LEU 12 -15.854 -6.205 13.750 1.00 -0.04 H ATOM 173 CD1 LEU 12 -16.988 -8.009 13.546 1.00 -0.41 C ATOM 174 1HD1 LEU 12 -17.947 -7.505 13.442 1.00 0.10 H ATOM 175 2HD1 LEU 12 -16.590 -8.205 12.550 1.00 0.10 H ATOM 176 3HD1 LEU 12 -17.126 -8.957 14.068 1.00 0.10 H ATOM 177 CD2 LEU 12 -16.637 -6.733 15.665 1.00 -0.41 C ATOM 178 1HD2 LEU 12 -17.582 -6.218 15.498 1.00 0.10 H ATOM 179 2HD2 LEU 12 -16.809 -7.624 16.270 1.00 0.10 H ATOM 180 3HD2 LEU 12 -15.963 -6.060 16.197 1.00 0.10 H ATOM 181 N LEU 13 -11.964 -7.332 12.088 1.00 -0.42 N ATOM 182 H LEU 13 -11.816 -8.299 11.808 1.00 0.27 H ATOM 183 CA LEU 13 -10.925 -6.418 11.636 1.00 -0.05 C ATOM 184 HA LEU 13 -11.326 -5.431 11.412 1.00 0.09 H ATOM 185 C LEU 13 -10.465 -7.118 10.368 1.00 0.60 C ATOM 186 O LEU 13 -9.979 -6.494 9.406 1.00 -0.57 O ATOM 187 OXT LEU 13 -10.660 -8.357 10.393 1.00 -0.57 O ATOM 188 CB LEU 13 -9.798 -6.363 12.679 1.00 -0.11 C ATOM 189 1HB LEU 13 -10.226 -6.023 13.622 1.00 0.05 H ATOM 190 2HB LEU 13 -9.438 -7.381 12.818 1.00 0.05 H ATOM 191 CG LEU 13 -8.580 -5.484 12.364 1.00 0.35 C ATOM 192 HG LEU 13 -8.143 -5.808 11.422 1.00 -0.04 H ATOM 193 CD1 LEU 13 -8.957 -4.010 12.246 1.00 -0.41 C ATOM 194 1HD1 LEU 13 -8.063 -3.413 12.079 1.00 0.10 H ATOM 195 2HD1 LEU 13 -9.625 -3.880 11.394 1.00 0.10 H ATOM 196 3HD1 LEU 13 -9.461 -3.679 13.154 1.00 0.10 H ATOM 197 CD2 LEU 13 -7.534 -5.666 13.460 1.00 -0.41 C ATOM 198 1HD2 LEU 13 -6.665 -5.049 13.238 1.00 0.10 H ATOM 199 2HD2 LEU 13 -7.952 -5.376 14.426 1.00 0.10 H ATOM 200 3HD2 LEU 13 -7.226 -6.709 13.492 1.00 0.10 H TER 201 LEU 13 END
SEQUENCE	FLGGILNTITGLL
HELICITY	15.40	INSTAB. INDEX	13.95	FLEXIBILITY	16.25
a HYD. MOM.	57.20	b HYD. MOM.	23.33	c HYD. MOM	3.24
a MEAN HYD. MOM.	4.40	b MEAN HYD. MOM.	1.79	c MEAN HYD. MOM.	0.25
CHARGE pH5	0.00	CHARGE pH7	0.00	CHARGE pH9	-0.17
Δ CHARGE pH5-pH9	0.17	ISOELECTRIC POINT	5.52	BOMAN INDEX	-1.81
ΔG	-4,15	CPP	-0,53	MLP	3
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	Chordata	CLASS	Amphibia	ORDER	Anura
FAMILY	Hyperoliidae	GENUS	Kassina	SPECIES	Kassina senegalensis
DATE	2011
TITLE PAPER	Kassorins: novel innate immune system peptides from skin secretions of the African hyperoliid frogs, Kassina maculata and Kassina senegalensis