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ID	1857	NAME	Kalata-B8   Blast NCBI-PROT
LENGTH	31	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\GSVLNCGETCLLGTCYTTGCTCNKYRVCTKD.pdb REMARK YASARA Written on: Wed May 14 14:47:09 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 440 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA COMPND MOL_ID: 1; COMPND 2 MOLECULE: KALATA B8; COMPND 3 CHAIN: A; SEQRES 1 A 31 GLY SER VAL LEU ASN CYS GLY GLU THR CYS LEU LEU GLY SEQRES 2 A 31 THR CYS TYR THR THR GLY CYS THR CYS ASN LYS TYR ARG SEQRES 3 A 31 VAL CYS THR LYS ASP 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 6 CYS A 20 2.03 SSBOND 3 CYS A 10 CYS A 22 2.03 SSBOND 5 CYS A 15 CYS A 28 2.03 ATOM 1 N GLY A 1 -14.250 -34.507 -10.635 1.00 -4.12 N ATOM 2 1H GLY A 1 -13.952 -34.678 -9.685 1.00 -4.12 H ATOM 3 2H GLY A 1 -13.444 -34.552 -11.245 1.00 -4.12 H ATOM 4 3H GLY A 1 -14.915 -35.215 -10.910 1.00 -4.12 H ATOM 5 CA GLY A 1 -14.872 -33.165 -10.733 1.00 -4.12 C ATOM 6 1HA GLY A 1 -15.745 -33.129 -10.085 1.00 -4.12 H ATOM 7 2HA GLY A 1 -14.149 -32.418 -10.406 1.00 -4.12 H ATOM 8 C GLY A 1 -15.300 -32.840 -12.146 1.00 -4.12 C ATOM 9 O GLY A 1 -16.494 -32.765 -12.426 1.00 -4.12 O ATOM 10 N SER A 2 -14.358 -32.656 -13.055 1.00 9.82 N ATOM 11 H SER A 2 -13.366 -32.777 -12.799 1.00 9.82 H ATOM 12 CA SER A 2 -14.655 -32.398 -14.461 1.00 9.82 C ATOM 13 HA SER A 2 -15.374 -31.583 -14.539 1.00 9.82 H ATOM 14 C SER A 2 -15.225 -33.641 -15.134 1.00 9.82 C ATOM 15 O SER A 2 -14.659 -34.731 -15.070 1.00 9.82 O ATOM 16 CB SER A 2 -13.368 -32.025 -15.192 1.00 9.82 C ATOM 17 1HB SER A 2 -12.994 -31.072 -14.816 1.00 9.82 H ATOM 18 2HB SER A 2 -12.624 -32.797 -14.995 1.00 9.82 H ATOM 19 OG SER A 2 -13.573 -31.947 -16.593 1.00 9.82 O ATOM 20 HG SER A 2 -12.714 -32.138 -17.007 1.00 9.82 H ATOM 21 N VAL A 3 -16.349 -33.469 -15.814 1.00 3.67 N ATOM 22 H VAL A 3 -16.774 -32.556 -15.834 1.00 3.67 H ATOM 23 CA VAL A 3 -17.008 -34.566 -16.526 1.00 3.67 C ATOM 24 HA VAL A 3 -17.168 -35.400 -15.845 1.00 3.67 H ATOM 25 C VAL A 3 -16.115 -35.049 -17.665 1.00 3.67 C ATOM 26 O VAL A 3 -16.005 -36.243 -17.944 1.00 3.67 O ATOM 27 CB VAL A 3 -18.383 -34.093 -17.088 1.00 3.67 C ATOM 28 HB VAL A 3 -18.209 -33.265 -17.775 1.00 3.67 H ATOM 29 CG1 VAL A 3 -19.101 -35.208 -17.843 1.00 3.67 C ATOM 30 1HG1 VAL A 3 -20.083 -34.869 -18.174 1.00 3.67 H ATOM 31 2HG1 VAL A 3 -19.217 -36.080 -17.197 1.00 3.67 H ATOM 32 3HG1 VAL A 3 -18.526 -35.499 -18.724 1.00 3.67 H ATOM 33 CG2 VAL A 3 -19.296 -33.590 -15.950 1.00 3.67 C ATOM 34 1HG2 VAL A 3 -20.237 -33.232 -16.372 1.00 3.67 H ATOM 35 2HG2 VAL A 3 -18.831 -32.765 -15.412 1.00 3.67 H ATOM 36 3HG2 VAL A 3 -19.509 -34.403 -15.257 1.00 3.67 H ATOM 37 N LEU A 4 -15.409 -34.107 -18.274 1.00-21.38 N ATOM 38 H LEU A 4 -15.437 -33.164 -17.920 1.00-21.38 H ATOM 39 CA LEU A 4 -14.591 -34.372 -19.457 1.00-21.38 C ATOM 40 HA LEU A 4 -15.187 -34.919 -20.188 1.00-21.38 H ATOM 41 C LEU A 4 -13.365 -35.215 -19.141 1.00-21.38 C ATOM 42 O LEU A 4 -12.736 -35.765 -20.034 1.00-21.38 O ATOM 43 CB LEU A 4 -14.131 -33.045 -20.072 1.00-21.38 C ATOM 44 1HB LEU A 4 -13.500 -32.543 -19.339 1.00-21.38 H ATOM 45 2HB LEU A 4 -13.508 -33.278 -20.936 1.00-21.38 H ATOM 46 CG LEU A 4 -15.213 -32.051 -20.526 1.00-21.38 C ATOM 47 HG LEU A 4 -15.857 -31.825 -19.676 1.00-21.38 H ATOM 48 CD1 LEU A 4 -14.556 -30.751 -20.978 1.00-21.38 C ATOM 49 1HD1 LEU A 4 -15.322 -30.030 -21.264 1.00-21.38 H ATOM 50 2HD1 LEU A 4 -13.900 -30.935 -21.832 1.00-21.38 H ATOM 51 3HD1 LEU A 4 -13.969 -30.329 -20.161 1.00-21.38 H ATOM 52 CD2 LEU A 4 -16.084 -32.605 -21.655 1.00-21.38 C ATOM 53 1HD2 LEU A 4 -16.808 -31.851 -21.966 1.00-21.38 H ATOM 54 2HD2 LEU A 4 -16.629 -33.484 -21.313 1.00-21.38 H ATOM 55 3HD2 LEU A 4 -15.463 -32.879 -22.510 1.00-21.38 H ATOM 56 N ASN A 5 -13.048 -35.350 -17.862 1.00 1.41 N ATOM 57 H ASN A 5 -13.610 -34.900 -17.153 1.00 1.41 H ATOM 58 CA ASN A 5 -11.891 -36.131 -17.444 1.00 1.41 C ATOM 59 HA ASN A 5 -11.137 -36.092 -18.232 1.00 1.41 H ATOM 60 C ASN A 5 -12.262 -37.603 -17.259 1.00 1.41 C ATOM 61 O ASN A 5 -11.412 -38.403 -16.877 1.00 1.41 O ATOM 62 CB ASN A 5 -11.271 -35.542 -16.172 1.00 1.41 C ATOM 63 1HB ASN A 5 -12.042 -35.389 -15.421 1.00 1.41 H ATOM 64 2HB ASN A 5 -10.541 -36.247 -15.782 1.00 1.41 H ATOM 65 CG ASN A 5 -10.543 -34.240 -16.427 1.00 1.41 C ATOM 66 OD1 ASN A 5 -11.061 -33.307 -17.033 1.00 1.41 O ATOM 67 ND2 ASN A 5 -9.320 -34.173 -15.987 1.00 1.41 N ATOM 68 1HD2 ASN A 5 -8.783 -33.345 -16.171 1.00 1.41 H ATOM 69 2HD2 ASN A 5 -8.934 -34.945 -15.444 1.00 1.41 H ATOM 70 N CYS A 6 -13.504 -37.972 -17.559 1.00 26.41 N ATOM 71 H CYS A 6 -14.188 -37.272 -17.827 1.00 26.41 H ATOM 72 CA CYS A 6 -13.875 -39.387 -17.626 1.00 26.41 C ATOM 73 HA CYS A 6 -12.967 -39.954 -17.835 1.00 26.41 H ATOM 74 C CYS A 6 -14.871 -39.740 -18.736 1.00 26.41 C ATOM 75 O CYS A 6 -14.612 -40.647 -19.516 1.00 26.41 O ATOM 76 CB CYS A 6 -14.412 -39.877 -16.281 1.00 26.41 C ATOM 77 1HB CYS A 6 -13.780 -39.480 -15.489 1.00 26.41 H ATOM 78 2HB CYS A 6 -15.427 -39.512 -16.139 1.00 26.41 H ATOM 79 SG CYS A 6 -14.390 -41.695 -16.180 1.00 26.41 S ATOM 80 N GLY A 7 -16.010 -39.061 -18.814 1.00 5.75 N ATOM 81 H GLY A 7 -16.214 -38.325 -18.143 1.00 5.75 H ATOM 82 CA GLY A 7 -16.986 -39.304 -19.877 1.00 5.75 C ATOM 83 1HA GLY A 7 -17.659 -38.449 -19.919 1.00 5.75 H ATOM 84 2HA GLY A 7 -16.444 -39.342 -20.822 1.00 5.75 H ATOM 85 C GLY A 7 -17.842 -40.563 -19.804 1.00 5.75 C ATOM 86 O GLY A 7 -18.902 -40.642 -20.420 1.00 5.75 O ATOM 87 N GLU A 8 -17.371 -41.551 -19.059 1.00 8.03 N ATOM 88 H GLU A 8 -16.465 -41.420 -18.637 1.00 8.03 H ATOM 89 CA GLU A 8 -18.045 -42.830 -18.838 1.00 8.03 C ATOM 90 HA GLU A 8 -18.332 -43.251 -19.802 1.00 8.03 H ATOM 91 C GLU A 8 -19.308 -42.643 -17.973 1.00 8.03 C ATOM 92 O GLU A 8 -19.603 -41.510 -17.608 1.00 8.03 O ATOM 93 CB GLU A 8 -17.008 -43.739 -18.179 1.00 8.03 C ATOM 94 1HB GLU A 8 -16.030 -43.480 -18.585 1.00 8.03 H ATOM 95 2HB GLU A 8 -16.990 -43.538 -17.109 1.00 8.03 H ATOM 96 CG GLU A 8 -17.221 -45.212 -18.414 1.00 8.03 C ATOM 97 1HG GLU A 8 -18.058 -45.350 -19.101 1.00 8.03 H ATOM 98 2HG GLU A 8 -16.324 -45.639 -18.862 1.00 8.03 H ATOM 99 CD GLU A 8 -17.517 -45.910 -17.119 1.00 8.03 C ATOM 100 OE1 GLU A 8 -18.692 -46.212 -16.881 1.00 8.03 O ATOM 101 OE2 GLU A 8 -16.594 -46.124 -16.307 1.00 8.03 O ATOM 102 N THR A 9 -20.080 -43.671 -17.626 1.00 8.82 N ATOM 103 H THR A 9 -19.800 -44.633 -17.822 1.00 8.82 H ATOM 104 CA THR A 9 -21.330 -43.448 -16.883 1.00 8.82 C ATOM 105 HA THR A 9 -21.280 -42.466 -16.421 1.00 8.82 H ATOM 106 C THR A 9 -21.649 -44.434 -15.760 1.00 8.82 C ATOM 107 O THR A 9 -21.580 -45.647 -15.902 1.00 8.82 O ATOM 108 CB THR A 9 -22.578 -43.447 -17.810 1.00 8.82 C ATOM 109 HB THR A 9 -23.450 -43.201 -17.209 1.00 8.82 H ATOM 110 OG1 THR A 9 -22.768 -44.740 -18.387 1.00 8.82 O ATOM 111 HG1 THR A 9 -21.911 -45.078 -18.658 1.00 8.82 H ATOM 112 CG2 THR A 9 -22.484 -42.449 -18.950 1.00 8.82 C ATOM 113 1HG2 THR A 9 -23.424 -42.441 -19.500 1.00 8.82 H ATOM 114 2HG2 THR A 9 -21.678 -42.722 -19.630 1.00 8.82 H ATOM 115 3HG2 THR A 9 -22.294 -41.451 -18.556 1.00 8.82 H ATOM 116 N CYS A 10 -22.202 -43.899 -14.681 1.00 28.97 N ATOM 117 H CYS A 10 -22.335 -42.894 -14.650 1.00 28.97 H ATOM 118 CA CYS A 10 -22.721 -44.691 -13.570 1.00 28.97 C ATOM 119 HA CYS A 10 -22.068 -45.552 -13.425 1.00 28.97 H ATOM 120 C CYS A 10 -24.127 -45.195 -13.881 1.00 28.97 C ATOM 121 O CYS A 10 -24.892 -45.548 -12.982 1.00 28.97 O ATOM 122 CB CYS A 10 -22.749 -43.867 -12.282 1.00 28.97 C ATOM 123 1HB CYS A 10 -23.450 -43.044 -12.393 1.00 28.97 H ATOM 124 2HB CYS A 10 -23.080 -44.507 -11.463 1.00 28.97 H ATOM 125 SG CYS A 10 -21.110 -43.200 -11.881 1.00 28.97 S ATOM 126 N LEU A 11 -24.476 -45.245 -15.156 1.00-15.62 N ATOM 127 H LEU A 11 -23.835 -44.894 -15.856 1.00-15.62 H ATOM 128 CA LEU A 11 -25.701 -45.894 -15.609 1.00-15.62 C ATOM 129 HA LEU A 11 -26.522 -45.666 -14.931 1.00-15.62 H ATOM 130 C LEU A 11 -25.441 -47.398 -15.567 1.00-15.62 C ATOM 131 O LEU A 11 -26.360 -48.189 -15.428 1.00-15.62 O ATOM 132 CB LEU A 11 -26.063 -45.431 -17.022 1.00-15.62 C ATOM 133 1HB LEU A 11 -25.230 -45.678 -17.680 1.00-15.62 H ATOM 134 2HB LEU A 11 -26.930 -46.002 -17.354 1.00-15.62 H ATOM 135 CG LEU A 11 -26.383 -43.934 -17.184 1.00-15.62 C ATOM 136 HG LEU A 11 -25.548 -43.354 -16.798 1.00-15.62 H ATOM 137 CD1 LEU A 11 -26.546 -43.600 -18.662 1.00-15.62 C ATOM 138 1HD1 LEU A 11 -26.712 -42.529 -18.781 1.00-15.62 H ATOM 139 2HD1 LEU A 11 -27.390 -44.146 -19.086 1.00-15.62 H ATOM 140 3HD1 LEU A 11 -25.637 -43.870 -19.202 1.00-15.62 H ATOM 141 CD2 LEU A 11 -27.642 -43.508 -16.423 1.00-15.62 C ATOM 142 1HD2 LEU A 11 -27.830 -42.447 -16.593 1.00-15.62 H ATOM 143 2HD2 LEU A 11 -27.504 -43.665 -15.356 1.00-15.62 H ATOM 144 3HD2 LEU A 11 -28.503 -44.084 -16.766 1.00-15.62 H ATOM 145 N LEU A 12 -24.163 -47.760 -15.532 1.00-12.27 N ATOM 146 H LEU A 12 -23.441 -47.063 -15.682 1.00-12.27 H ATOM 147 CA LEU A 12 -23.716 -49.127 -15.247 1.00-12.27 C ATOM 148 HA LEU A 12 -24.367 -49.837 -15.757 1.00-12.27 H ATOM 149 C LEU A 12 -23.758 -49.424 -13.741 1.00-12.27 C ATOM 150 O LEU A 12 -23.263 -50.439 -13.269 1.00-12.27 O ATOM 151 CB LEU A 12 -22.277 -49.299 -15.750 1.00-12.27 C ATOM 152 1HB LEU A 12 -21.647 -48.623 -15.174 1.00-12.27 H ATOM 153 2HB LEU A 12 -21.965 -50.316 -15.518 1.00-12.27 H ATOM 154 CG LEU A 12 -21.969 -49.058 -17.235 1.00-12.27 C ATOM 155 HG LEU A 12 -22.271 -48.045 -17.499 1.00-12.27 H ATOM 156 CD1 LEU A 12 -20.469 -49.184 -17.469 1.00-12.27 C ATOM 157 1HD1 LEU A 12 -20.236 -48.972 -18.511 1.00-12.27 H ATOM 158 2HD1 LEU A 12 -20.123 -50.185 -17.210 1.00-12.27 H ATOM 159 3HD1 LEU A 12 -19.945 -48.452 -16.849 1.00-12.27 H ATOM 160 CD2 LEU A 12 -22.710 -50.036 -18.148 1.00-12.27 C ATOM 161 1HD2 LEU A 12 -22.437 -49.848 -19.186 1.00-12.27 H ATOM 162 2HD2 LEU A 12 -23.786 -49.898 -18.044 1.00-12.27 H ATOM 163 3HD2 LEU A 12 -22.450 -51.063 -17.887 1.00-12.27 H ATOM 164 N GLY A 13 -24.315 -48.499 -12.974 1.00 2.41 N ATOM 165 H GLY A 13 -24.710 -47.682 -13.413 1.00 2.41 H ATOM 166 CA GLY A 13 -24.401 -48.606 -11.526 1.00 2.41 C ATOM 167 1HA GLY A 13 -25.357 -48.202 -11.199 1.00 2.41 H ATOM 168 2HA GLY A 13 -24.342 -49.653 -11.228 1.00 2.41 H ATOM 169 C GLY A 13 -23.290 -47.835 -10.844 1.00 2.41 C ATOM 170 O GLY A 13 -23.524 -47.127 -9.865 1.00 2.41 O ATOM 171 N THR A 14 -22.091 -47.928 -11.394 1.00 9.22 N ATOM 172 H THR A 14 -21.959 -48.502 -12.222 1.00 9.22 H ATOM 173 CA THR A 14 -20.903 -47.255 -10.877 1.00 9.22 C ATOM 174 HA THR A 14 -21.166 -46.325 -10.374 1.00 9.22 H ATOM 175 C THR A 14 -20.080 -46.949 -12.116 1.00 9.22 C ATOM 176 O THR A 14 -20.383 -47.494 -13.174 1.00 9.22 O ATOM 177 CB THR A 14 -20.123 -48.178 -9.893 1.00 9.22 C ATOM 178 HB THR A 14 -20.758 -48.371 -9.028 1.00 9.22 H ATOM 179 OG1 THR A 14 -18.926 -47.531 -9.452 1.00 9.22 O ATOM 180 HG1 THR A 14 -18.209 -47.808 -10.040 1.00 9.22 H ATOM 181 CG2 THR A 14 -19.729 -49.519 -10.506 1.00 9.22 C ATOM 182 1HG2 THR A 14 -19.141 -50.083 -9.784 1.00 9.22 H ATOM 183 2HG2 THR A 14 -19.131 -49.372 -11.406 1.00 9.22 H ATOM 184 3HG2 THR A 14 -20.618 -50.096 -10.758 1.00 9.22 H ATOM 185 N CYS A 15 -19.053 -46.118 -11.998 1.00 6.30 N ATOM 186 H CYS A 15 -18.881 -45.650 -11.124 1.00 6.30 H ATOM 187 CA CYS A 15 -18.054 -46.015 -13.051 1.00 6.30 C ATOM 188 HA CYS A 15 -18.533 -45.916 -14.028 1.00 6.30 H ATOM 189 C CYS A 15 -17.264 -47.315 -12.961 1.00 6.30 C ATOM 190 O CYS A 15 -17.050 -47.823 -11.858 1.00 6.30 O ATOM 191 CB CYS A 15 -17.086 -44.854 -12.793 1.00 6.30 C ATOM 192 1HB CYS A 15 -16.542 -45.064 -11.871 1.00 6.30 H ATOM 193 2HB CYS A 15 -16.364 -44.815 -13.610 1.00 6.30 H ATOM 194 SG CYS A 15 -17.880 -43.226 -12.617 1.00 6.30 S ATOM 195 N TYR A 16 -16.794 -47.812 -14.091 1.00 11.74 N ATOM 196 H TYR A 16 -17.036 -47.347 -14.971 1.00 11.74 H ATOM 197 CA TYR A 16 -15.907 -48.973 -14.132 1.00 11.74 C ATOM 198 HA TYR A 16 -15.852 -49.441 -13.149 1.00 11.74 H ATOM 199 C TYR A 16 -14.499 -48.523 -14.505 1.00 11.74 C ATOM 200 O TYR A 16 -13.519 -49.230 -14.276 1.00 11.74 O ATOM 201 CB TYR A 16 -16.441 -50.004 -15.126 1.00 11.74 C ATOM 202 1HB TYR A 16 -16.818 -49.491 -16.011 1.00 11.74 H ATOM 203 2HB TYR A 16 -15.621 -50.656 -15.425 1.00 11.74 H ATOM 204 CG TYR A 16 -17.529 -50.869 -14.522 1.00 11.74 C ATOM 205 CD1 TYR A 16 -18.842 -50.384 -14.343 1.00 11.74 C ATOM 206 HD1 TYR A 16 -19.098 -49.381 -14.661 1.00 11.74 H ATOM 207 CD2 TYR A 16 -17.233 -52.178 -14.089 1.00 11.74 C ATOM 208 HD2 TYR A 16 -16.233 -52.570 -14.213 1.00 11.74 H ATOM 209 CE1 TYR A 16 -19.835 -51.193 -13.726 1.00 11.74 C ATOM 210 HE1 TYR A 16 -20.831 -50.812 -13.575 1.00 11.74 H ATOM 211 CE2 TYR A 16 -18.229 -52.990 -13.481 1.00 11.74 C ATOM 212 HE2 TYR A 16 -17.987 -53.988 -13.153 1.00 11.74 H ATOM 213 CZ TYR A 16 -19.519 -52.483 -13.303 1.00 11.74 C ATOM 214 OH TYR A 16 -20.472 -53.263 -12.697 1.00 11.74 O ATOM 215 HH TYR A 16 -20.137 -54.123 -12.445 1.00 11.74 H ATOM 216 N THR A 17 -14.389 -47.318 -15.041 1.00 2.02 N ATOM 217 H THR A 17 -15.227 -46.790 -15.275 1.00 2.02 H ATOM 218 CA THR A 17 -13.091 -46.708 -15.299 1.00 2.02 C ATOM 219 HA THR A 17 -12.466 -47.434 -15.816 1.00 2.02 H ATOM 220 C THR A 17 -12.447 -46.344 -13.964 1.00 2.02 C ATOM 221 O THR A 17 -13.015 -45.612 -13.146 1.00 2.02 O ATOM 222 CB THR A 17 -13.244 -45.454 -16.177 1.00 2.02 C ATOM 223 HB THR A 17 -13.782 -44.687 -15.622 1.00 2.02 H ATOM 224 OG1 THR A 17 -13.995 -45.797 -17.343 1.00 2.02 O ATOM 225 HG1 THR A 17 -14.915 -45.937 -17.071 1.00 2.02 H ATOM 226 CG2 THR A 17 -11.906 -44.907 -16.646 1.00 2.02 C ATOM 227 1HG2 THR A 17 -12.088 -44.049 -17.294 1.00 2.02 H ATOM 228 2HG2 THR A 17 -11.371 -45.670 -17.211 1.00 2.02 H ATOM 229 3HG2 THR A 17 -11.309 -44.586 -15.792 1.00 2.02 H ATOM 230 N THR A 18 -11.265 -46.893 -13.727 1.00-18.16 N ATOM 231 H THR A 18 -10.845 -47.496 -14.416 1.00-18.16 H ATOM 232 CA THR A 18 -10.565 -46.732 -12.460 1.00-18.16 C ATOM 233 HA THR A 18 -11.167 -47.210 -11.689 1.00-18.16 H ATOM 234 C THR A 18 -10.336 -45.272 -12.074 1.00-18.16 C ATOM 235 O THR A 18 -9.768 -44.491 -12.835 1.00-18.16 O ATOM 236 CB THR A 18 -9.205 -47.449 -12.551 1.00-18.16 C ATOM 237 HB THR A 18 -8.535 -46.877 -13.193 1.00-18.16 H ATOM 238 OG1 THR A 18 -9.415 -48.735 -13.139 1.00-18.16 O ATOM 239 HG1 THR A 18 -8.576 -49.201 -13.160 1.00-18.16 H ATOM 240 CG2 THR A 18 -8.559 -47.663 -11.191 1.00-18.16 C ATOM 241 1HG2 THR A 18 -7.620 -48.200 -11.318 1.00-18.16 H ATOM 242 2HG2 THR A 18 -9.221 -48.250 -10.553 1.00-18.16 H ATOM 243 3HG2 THR A 18 -8.351 -46.702 -10.719 1.00-18.16 H ATOM 244 N GLY A 19 -10.775 -44.911 -10.875 1.00 -0.85 N ATOM 245 H GLY A 19 -11.282 -45.573 -10.308 1.00 -0.85 H ATOM 246 CA GLY A 19 -10.558 -43.569 -10.353 1.00 -0.85 C ATOM 247 1HA GLY A 19 -10.482 -43.628 -9.268 1.00 -0.85 H ATOM 248 2HA GLY A 19 -9.616 -43.186 -10.745 1.00 -0.85 H ATOM 249 C GLY A 19 -11.651 -42.576 -10.691 1.00 -0.85 C ATOM 250 O GLY A 19 -11.668 -41.476 -10.143 1.00 -0.85 O ATOM 251 N CYS A 20 -12.573 -42.933 -11.572 1.00 10.89 N ATOM 252 H CYS A 20 -12.550 -43.845 -12.016 1.00 10.89 H ATOM 253 CA CYS A 20 -13.667 -42.025 -11.886 1.00 10.89 C ATOM 254 HA CYS A 20 -13.281 -41.008 -11.935 1.00 10.89 H ATOM 255 C CYS A 20 -14.737 -42.076 -10.793 1.00 10.89 C ATOM 256 O CYS A 20 -14.897 -43.080 -10.103 1.00 10.89 O ATOM 257 CB CYS A 20 -14.280 -42.362 -13.240 1.00 10.89 C ATOM 258 1HB CYS A 20 -14.606 -43.400 -13.241 1.00 10.89 H ATOM 259 2HB CYS A 20 -15.147 -41.723 -13.381 1.00 10.89 H ATOM 260 SG CYS A 20 -13.140 -42.083 -14.629 1.00 10.89 S ATOM 261 N THR A 21 -15.461 -40.978 -10.640 1.00-19.19 N ATOM 262 H THR A 21 -15.297 -40.193 -11.267 1.00-19.19 H ATOM 263 CA THR A 21 -16.488 -40.810 -9.613 1.00-19.19 C ATOM 264 HA THR A 21 -16.702 -41.767 -9.137 1.00-19.19 H ATOM 265 C THR A 21 -17.759 -40.279 -10.270 1.00-19.19 C ATOM 266 O THR A 21 -17.691 -39.576 -11.278 1.00-19.19 O ATOM 267 CB THR A 21 -16.018 -39.795 -8.545 1.00-19.19 C ATOM 268 HB THR A 21 -16.832 -39.604 -7.845 1.00-19.19 H ATOM 269 OG1 THR A 21 -15.630 -38.575 -9.183 1.00-19.19 O ATOM 270 HG1 THR A 21 -14.702 -38.651 -9.424 1.00-19.19 H ATOM 271 CG2 THR A 21 -14.801 -40.293 -7.778 1.00-19.19 C ATOM 272 1HG2 THR A 21 -14.544 -39.573 -7.002 1.00-19.19 H ATOM 273 2HG2 THR A 21 -13.947 -40.411 -8.449 1.00-19.19 H ATOM 274 3HG2 THR A 21 -15.022 -41.253 -7.312 1.00-19.19 H ATOM 275 N CYS A 22 -18.926 -40.625 -9.744 1.00 -3.82 N ATOM 276 H CYS A 22 -18.960 -41.194 -8.915 1.00 -3.82 H ATOM 277 CA CYS A 22 -20.181 -40.204 -10.364 1.00 -3.82 C ATOM 278 HA CYS A 22 -20.123 -40.389 -11.437 1.00 -3.82 H ATOM 279 C CYS A 22 -20.490 -38.727 -10.127 1.00 -3.82 C ATOM 280 O CYS A 22 -20.378 -38.234 -9.009 1.00 -3.82 O ATOM 281 CB CYS A 22 -21.348 -41.009 -9.779 1.00 -3.82 C ATOM 282 1HB CYS A 22 -21.449 -40.742 -8.726 1.00 -3.82 H ATOM 283 2HB CYS A 22 -22.266 -40.716 -10.288 1.00 -3.82 H ATOM 284 SG CYS A 22 -21.152 -42.816 -9.891 1.00 -3.82 S ATOM 285 N ASN A 23 -20.995 -38.049 -11.146 1.00 20.06 N ATOM 286 H ASN A 23 -20.959 -38.443 -12.085 1.00 20.06 H ATOM 287 CA ASN A 23 -21.722 -36.798 -10.947 1.00 20.06 C ATOM 288 HA ASN A 23 -21.235 -36.193 -10.181 1.00 20.06 H ATOM 289 C ASN A 23 -23.124 -37.215 -10.483 1.00 20.06 C ATOM 290 O ASN A 23 -23.528 -38.359 -10.701 1.00 20.06 O ATOM 291 CB ASN A 23 -21.783 -36.017 -12.268 1.00 20.06 C ATOM 292 1HB ASN A 23 -20.830 -36.124 -12.777 1.00 20.06 H ATOM 293 2HB ASN A 23 -22.558 -36.437 -12.906 1.00 20.06 H ATOM 294 CG ASN A 23 -22.040 -34.543 -12.070 1.00 20.06 C ATOM 295 OD1 ASN A 23 -23.000 -34.146 -11.435 1.00 20.06 O ATOM 296 ND2 ASN A 23 -21.180 -33.721 -12.600 1.00 20.06 N ATOM 297 1HD2 ASN A 23 -21.327 -32.732 -12.481 1.00 20.06 H ATOM 298 2HD2 ASN A 23 -20.387 -34.073 -13.107 1.00 20.06 H ATOM 299 N LYS A 24 -23.909 -36.291 -9.943 1.00 -4.99 N ATOM 300 H LYS A 24 -23.541 -35.348 -9.849 1.00 -4.99 H ATOM 301 CA LYS A 24 -25.306 -36.538 -9.565 1.00 -4.99 C ATOM 302 HA LYS A 24 -25.344 -37.309 -8.794 1.00 -4.99 H ATOM 303 C LYS A 24 -26.121 -37.024 -10.762 1.00 -4.99 C ATOM 304 O LYS A 24 -26.996 -37.869 -10.636 1.00 -4.99 O ATOM 305 CB LYS A 24 -25.906 -35.234 -9.025 1.00 -4.99 C ATOM 306 1HB LYS A 24 -25.248 -34.853 -8.243 1.00 -4.99 H ATOM 307 2HB LYS A 24 -25.934 -34.504 -9.835 1.00 -4.99 H ATOM 308 CG LYS A 24 -27.311 -35.373 -8.449 1.00 -4.99 C ATOM 309 1HG LYS A 24 -27.979 -35.768 -9.214 1.00 -4.99 H ATOM 310 2HG LYS A 24 -27.284 -36.066 -7.608 1.00 -4.99 H ATOM 311 CD LYS A 24 -27.849 -34.030 -7.981 1.00 -4.99 C ATOM 312 1HD LYS A 24 -27.164 -33.609 -7.242 1.00 -4.99 H ATOM 313 2HD LYS A 24 -27.914 -33.355 -8.836 1.00 -4.99 H ATOM 314 CE LYS A 24 -29.231 -34.197 -7.355 1.00 -4.99 C ATOM 315 1HE LYS A 24 -29.900 -34.650 -8.092 1.00 -4.99 H ATOM 316 2HE LYS A 24 -29.150 -34.873 -6.500 1.00 -4.99 H ATOM 317 NZ LYS A 24 -29.803 -32.883 -6.897 1.00 -4.99 N ATOM 318 1HZ LYS A 24 -30.708 -33.033 -6.471 1.00 -4.99 H ATOM 319 2HZ LYS A 24 -29.908 -32.259 -7.686 1.00 -4.99 H ATOM 320 3HZ LYS A 24 -29.185 -32.458 -6.219 1.00 -4.99 H ATOM 321 N TYR A 25 -25.769 -36.528 -11.939 1.00 -2.64 N ATOM 322 H TYR A 25 -25.035 -35.836 -11.970 1.00 -2.64 H ATOM 323 CA TYR A 25 -26.414 -36.911 -13.198 1.00 -2.64 C ATOM 324 HA TYR A 25 -27.488 -36.980 -13.021 1.00 -2.64 H ATOM 325 C TYR A 25 -25.951 -38.262 -13.757 1.00 -2.64 C ATOM 326 O TYR A 25 -26.251 -38.612 -14.890 1.00 -2.64 O ATOM 327 CB TYR A 25 -26.170 -35.799 -14.220 1.00 -2.64 C ATOM 328 1HB TYR A 25 -25.104 -35.746 -14.444 1.00 -2.64 H ATOM 329 2HB TYR A 25 -26.710 -36.029 -15.139 1.00 -2.64 H ATOM 330 CG TYR A 25 -26.630 -34.455 -13.696 1.00 -2.64 C ATOM 331 CD1 TYR A 25 -25.703 -33.516 -13.195 1.00 -2.64 C ATOM 332 HD1 TYR A 25 -24.645 -33.726 -13.240 1.00 -2.64 H ATOM 333 CD2 TYR A 25 -28.001 -34.127 -13.664 1.00 -2.64 C ATOM 334 HD2 TYR A 25 -28.729 -34.822 -14.061 1.00 -2.64 H ATOM 335 CE1 TYR A 25 -26.142 -32.294 -12.623 1.00 -2.64 C ATOM 336 HE1 TYR A 25 -25.425 -31.590 -12.226 1.00 -2.64 H ATOM 337 CE2 TYR A 25 -28.442 -32.893 -13.110 1.00 -2.64 C ATOM 338 HE2 TYR A 25 -29.494 -32.651 -13.100 1.00 -2.64 H ATOM 339 CZ TYR A 25 -27.505 -31.997 -12.586 1.00 -2.64 C ATOM 340 OH TYR A 25 -27.920 -30.812 -12.034 1.00 -2.64 O ATOM 341 HH TYR A 25 -28.855 -30.649 -12.172 1.00 -2.64 H ATOM 342 N ARG A 26 -25.202 -39.005 -12.949 1.00 6.25 N ATOM 343 H ARG A 26 -24.965 -38.626 -12.035 1.00 6.25 H ATOM 344 CA ARG A 26 -24.693 -40.351 -13.246 1.00 6.25 C ATOM 345 HA ARG A 26 -24.069 -40.627 -12.398 1.00 6.25 H ATOM 346 C ARG A 26 -23.797 -40.453 -14.472 1.00 6.25 C ATOM 347 O ARG A 26 -23.609 -41.534 -15.012 1.00 6.25 O ATOM 348 CB ARG A 26 -25.827 -41.385 -13.318 1.00 6.25 C ATOM 349 1HB ARG A 26 -26.417 -41.212 -14.219 1.00 6.25 H ATOM 350 2HB ARG A 26 -25.383 -42.376 -13.391 1.00 6.25 H ATOM 351 CG ARG A 26 -26.761 -41.351 -12.111 1.00 6.25 C ATOM 352 1HG ARG A 26 -26.170 -41.269 -11.199 1.00 6.25 H ATOM 353 2HG ARG A 26 -27.411 -40.479 -12.189 1.00 6.25 H ATOM 354 CD ARG A 26 -27.621 -42.608 -12.026 1.00 6.25 C ATOM 355 1HD ARG A 26 -28.425 -42.444 -11.307 1.00 6.25 H ATOM 356 2HD ARG A 26 -28.067 -42.796 -13.004 1.00 6.25 H ATOM 357 NE ARG A 26 -26.828 -43.778 -11.615 1.00 6.25 N ATOM 358 HE ARG A 26 -26.426 -44.346 -12.357 1.00 6.25 H ATOM 359 CZ ARG A 26 -26.569 -44.170 -10.375 1.00 6.25 C ATOM 360 NH1 ARG A 26 -25.776 -45.186 -10.212 1.00 6.25 N ATOM 361 1HH1 ARG A 26 -25.367 -45.636 -11.027 1.00 6.25 H ATOM 362 2HH1 ARG A 26 -25.540 -45.531 -9.293 1.00 6.25 H ATOM 363 NH2 ARG A 26 -27.049 -43.590 -9.303 1.00 6.25 N ATOM 364 1HH2 ARG A 26 -27.672 -42.804 -9.398 1.00 6.25 H ATOM 365 2HH2 ARG A 26 -26.802 -43.934 -8.390 1.00 6.25 H ATOM 366 N VAL A 27 -23.152 -39.360 -14.837 1.00 -0.14 N ATOM 367 H VAL A 27 -23.347 -38.492 -14.373 1.00 -0.14 H ATOM 368 CA VAL A 27 -22.086 -39.381 -15.836 1.00 -0.14 C ATOM 369 HA VAL A 27 -22.081 -40.327 -16.375 1.00 -0.14 H ATOM 370 C VAL A 27 -20.832 -39.269 -14.981 1.00 -0.14 C ATOM 371 O VAL A 27 -20.841 -38.571 -13.966 1.00 -0.14 O ATOM 372 CB VAL A 27 -22.216 -38.223 -16.860 1.00 -0.14 C ATOM 373 HB VAL A 27 -22.139 -37.274 -16.328 1.00 -0.14 H ATOM 374 CG1 VAL A 27 -21.109 -38.296 -17.923 1.00 -0.14 C ATOM 375 1HG1 VAL A 27 -21.229 -37.487 -18.642 1.00 -0.14 H ATOM 376 2HG1 VAL A 27 -21.149 -39.250 -18.456 1.00 -0.14 H ATOM 377 3HG1 VAL A 27 -20.127 -38.202 -17.457 1.00 -0.14 H ATOM 378 CG2 VAL A 27 -23.585 -38.278 -17.555 1.00 -0.14 C ATOM 379 1HG2 VAL A 27 -23.657 -37.483 -18.298 1.00 -0.14 H ATOM 380 2HG2 VAL A 27 -24.388 -38.139 -16.831 1.00 -0.14 H ATOM 381 3HG2 VAL A 27 -23.720 -39.241 -18.052 1.00 -0.14 H ATOM 382 N CYS A 28 -19.787 -39.998 -15.318 1.00 -5.14 N ATOM 383 H CYS A 28 -19.804 -40.547 -16.180 1.00 -5.14 H ATOM 384 CA CYS A 28 -18.569 -40.020 -14.531 1.00 -5.14 C ATOM 385 HA CYS A 28 -18.826 -40.079 -13.475 1.00 -5.14 H ATOM 386 C CYS A 28 -17.736 -38.765 -14.758 1.00 -5.14 C ATOM 387 O CYS A 28 -17.774 -38.124 -15.808 1.00 -5.14 O ATOM 388 CB CYS A 28 -17.742 -41.249 -14.901 1.00 -5.14 C ATOM 389 1HB CYS A 28 -17.546 -41.230 -15.973 1.00 -5.14 H ATOM 390 2HB CYS A 28 -16.793 -41.210 -14.375 1.00 -5.14 H ATOM 391 SG CYS A 28 -18.582 -42.804 -14.472 1.00 -5.14 S ATOM 392 N THR A 29 -16.954 -38.453 -13.744 1.00 6.46 N ATOM 393 H THR A 29 -16.972 -39.041 -12.909 1.00 6.46 H ATOM 394 CA THR A 29 -16.016 -37.342 -13.726 1.00 6.46 C ATOM 395 HA THR A 29 -15.835 -36.957 -14.730 1.00 6.46 H ATOM 396 C THR A 29 -14.783 -38.019 -13.159 1.00 6.46 C ATOM 397 O THR A 29 -14.930 -39.145 -12.694 1.00 6.46 O ATOM 398 CB THR A 29 -16.476 -36.219 -12.771 1.00 6.46 C ATOM 399 HB THR A 29 -15.876 -35.334 -12.959 1.00 6.46 H ATOM 400 OG1 THR A 29 -16.287 -36.611 -11.410 1.00 6.46 O ATOM 401 HG1 THR A 29 -16.737 -37.453 -11.257 1.00 6.46 H ATOM 402 CG2 THR A 29 -17.943 -35.881 -12.925 1.00 6.46 C ATOM 403 1HG2 THR A 29 -18.150 -34.950 -12.399 1.00 6.46 H ATOM 404 2HG2 THR A 29 -18.551 -36.678 -12.496 1.00 6.46 H ATOM 405 3HG2 THR A 29 -18.190 -35.767 -13.978 1.00 6.46 H ATOM 406 N LYS A 30 -13.609 -37.408 -13.143 1.00 5.25 N ATOM 407 H LYS A 30 -13.498 -36.475 -13.541 1.00 5.25 H ATOM 408 CA LYS A 30 -12.452 -38.035 -12.489 1.00 5.25 C ATOM 409 HA LYS A 30 -12.779 -38.824 -11.813 1.00 5.25 H ATOM 410 C LYS A 30 -11.822 -36.945 -11.639 1.00 5.25 C ATOM 411 O LYS A 30 -12.313 -36.653 -10.551 1.00 5.25 O ATOM 412 CB LYS A 30 -11.519 -38.637 -13.546 1.00 5.25 C ATOM 413 1HB LYS A 30 -12.088 -39.355 -14.130 1.00 5.25 H ATOM 414 2HB LYS A 30 -11.204 -37.845 -14.222 1.00 5.25 H ATOM 415 CG LYS A 30 -10.280 -39.339 -13.015 1.00 5.25 C ATOM 416 1HG LYS A 30 -9.721 -38.640 -12.397 1.00 5.25 H ATOM 417 2HG LYS A 30 -10.559 -40.203 -12.412 1.00 5.25 H ATOM 418 CD LYS A 30 -9.416 -39.781 -14.188 1.00 5.25 C ATOM 419 1HD LYS A 30 -9.872 -40.659 -14.648 1.00 5.25 H ATOM 420 2HD LYS A 30 -9.383 -38.980 -14.929 1.00 5.25 H ATOM 421 CE LYS A 30 -7.986 -40.095 -13.766 1.00 5.25 C ATOM 422 1HE LYS A 30 -8.002 -40.819 -12.949 1.00 5.25 H ATOM 423 2HE LYS A 30 -7.462 -40.532 -14.617 1.00 5.25 H ATOM 424 NZ LYS A 30 -7.259 -38.843 -13.334 1.00 5.25 N ATOM 425 1HZ LYS A 30 -6.280 -39.023 -13.177 1.00 5.25 H ATOM 426 2HZ LYS A 30 -7.660 -38.463 -12.481 1.00 5.25 H ATOM 427 3HZ LYS A 30 -7.362 -38.112 -14.032 1.00 5.25 H ATOM 428 N ASP A 31 -10.864 -36.241 -12.215 1.00 16.99 N ATOM 429 H ASP A 31 -10.501 -36.541 -13.107 1.00 16.99 H ATOM 430 CA ASP A 31 -10.388 -34.960 -11.708 1.00 16.99 C ATOM 431 HA ASP A 31 -10.252 -34.993 -10.627 1.00 16.99 H ATOM 432 C ASP A 31 -11.521 -34.024 -12.092 1.00 16.99 C ATOM 433 O ASP A 31 -11.802 -32.993 -11.456 1.00 16.99 O ATOM 434 OXT ASP A 31 -12.247 -34.446 -13.015 1.00 16.99 O ATOM 435 CB ASP A 31 -9.086 -34.565 -12.415 1.00 16.99 C ATOM 436 1HB ASP A 31 -9.343 -33.997 -13.306 1.00 16.99 H ATOM 437 2HB ASP A 31 -8.497 -33.925 -11.758 1.00 16.99 H ATOM 438 CG ASP A 31 -8.263 -35.774 -12.839 1.00 16.99 C ATOM 439 OD1 ASP A 31 -7.501 -36.339 -12.028 1.00 16.99 O ATOM 440 OD2 ASP A 31 -8.444 -36.239 -13.995 1.00 16.99 O TER 441 ASP A 31 CONECT 79 76 260 CONECT 125 122 284 CONECT 194 191 391 CONECT 260 79 257 CONECT 284 125 281 CONECT 391 194 388 END
SEQUENCE	GSVLNCGETCLLGTCYTTGCTCNKYRVCTKD
HELICITY	0.00	INSTAB. INDEX	27.53	FLEXIBILITY	16.08
a HYD. MOM.	30.17	b HYD. MOM.	16.01	c HYD. MOM	2.93
a MEAN HYD. MOM.	0.97	b MEAN HYD. MOM.	0.52	c MEAN HYD. MOM.	0.09
CHARGE pH5	1.22	CHARGE pH7	0.73	CHARGE pH9	-4.36
Δ CHARGE pH5-pH9	5.57	ISOELECTRIC POINT	7.77	BOMAN INDEX	1.28
ΔG	17	CPP	-0,21	MLP	-11,20
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	Oldenlandia	SPECIES	Oldenlandia affinis
DATE	2006
TITLE PAPER	Kalata B8, a novel antiviral cicular protein, exhibits conformational flexibility in the cysteine knot motif